************************************************************************
* This file is part of OpenMolcas.                                     *
*                                                                      *
* OpenMolcas is free software; you can redistribute it and/or modify   *
* it under the terms of the GNU Lesser General Public License, v. 2.1. *
* OpenMolcas is distributed in the hope that it will be useful, but it *
* is provided "as is" and without any express or implied warranties.   *
* For more details see the full text of the license in the file        *
* LICENSE or in <http://www.gnu.org/licenses/>.                        *
************************************************************************
*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=
*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=
*                                                                              *
*                  ********************                                        *
*                  * The AIMP Library *                                        *
*                  ********************                                        *
*                                                                              *
*    This library contains:                                                    *
*                                                                              *
*    (C)  Core Ab Initio Model Potentials (relativistic and nonrelativistic)   *
*                      and                                                     *
*    (E)  Embedding Ab Initio Model Potentials                                 *
*                                                                              *
*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=
*                  Please, report any bug, deficiency, or suggestion regarding *
*                  this library to Luis Seijo (luis.seijo@uam.es). Thank you.  *
*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=*=
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
* CORE AIMP CONTENTS                                                           *
********************************************************************************
* C. Core AIMPs                                                                *
*    C.1. Cowan-Griffin-relativistic core AIMPs: CG-AIMP                       *
*           MGE, TME, La, {Ln}, {An}             [missing Fr,Ra,Ac]            *
*    C.2. Non-relativistic core AIMPs: NR-AIMP                                 *
*           MGE, TME, La                         [missing Fr,Ra,{Ln},Ac,{An}]  *
*    C.3. Douglas-Kroll (No-Pair) relativistic core AIMPs: NP-AIMP, DK3-AIMP   *
*           TME, {Ln}, {An}                      [missing MGE,La,{Ln},Ac,{An}] *
********************************************************************************
* EMBEDDING AIMP CONTENTS                                                      *
********************************************************************************
* E. Embedding AIMPs                                                           *
*    E.1. Elpasolites                                                          *
*         E.1.1. K2NaGaF6                                                      *
*           E.1.1.a. K2NaGaF6 (a=8.246 A)                                      *
*           E.1.1.b. K2NaGaF6 (a=8.000 A; 60 Kbar)                             *
*         E.1.2. Cs2NaYCl6                                                     *
*           E.1.2.a. Cs2NaYCl6 (a=10.7396 A, x=0.2439)                         *
*           E.1.2.b Cs2NaYCl6 Delta-a/a=-0.6% (a=10.6752 A, x=0.2439)          *
*           E.1.2.c Cs2NaYCl6 Delta-a/a=-1.8% (a=10.5463 A, x=0.2439)          *
*           E.1.2.d Cs2NaYCl6 Delta-a/a=-3.1% (a=10.4067 A, x=0.2439)          *
*           E.1.2.e Cs2NaYCl6 Delta-a/a=-3.6% (a=10.3530 A, x=0.2439)          *
*         E.1.3. Cs2NaYBr6                                                     *
*           E.1.3.a. Cs2NaYBr6 (a=11.3047 A, x=0.2446)                         *
*         E.1.4. Cs2NaYF6                                                      *
*           E.1.4.a. Cs2NaYF6 (a=9.075 A, x=0.24)                              *
*    E.2. Perovskites                                                          *
*         E.2.1. KMgF3                                                         *
*           E.2.1.a. KMgF3 (a=3.973 A)                                         *
*         E.2.2. KZnF3                                                         *
*           E.2.2.a. KZnF3 (a=4.054 A)                                         *
*         E.2.3. KCdF3                                                         *
*           E.2.3.a. KCdF3 (a=4.302 A)                                         *
*         E.2.4. CsCaF3                                                        *
*           E.2.4.a. CsCaF3 (a=4.526 A)                                        *
*         E.2.5. CsCaBr3                                                       *
*           E.2.5.a. CsCaBr3 (a=5.690 A)                                       *
*         E.2.6. CaFeO3                                                        *
*           E.2.6.a. CaFeO3                                                    *
*         E.2.7. LaMnO3                                                        *
*           E.2.7.a. LaMnO3                                                    *
*         E.2.8. CaMnO3                                                        *
*           E.2.8.a. CaMnO3                                                    *
*    E.3. Rocksalt structure oxides and halides                                *
*         E.3.1. MgO                                                           *
*           E.3.1.a. MgO (a=4.2112 A)                                          *
*         E.3.2. CaO                                                           *
*           E.3.2.a. CaO (a=4.8105 A)                                          *
*         E.3.3. SrO                                                           *
*           E.3.3.a. SrO (a=5.1602 A)                                          *
*         E.3.4. NiO                                                           *
*           E.3.4.a. NiO (a=4.164 A)                                           *
*         E.3.5. LiF                                                           *
*           E.3.5.a. LiF (a=4.028 A)                                           *
*         E.3.6. NaF                                                           *
*           E.3.6.a. NaF (a=4.634 A)                                           *
*         E.3.7. KF                                                            *
*           E.3.7.a. KF (a=5.348 A)                                            *
*         E.3.8. NaCl                                                          *
*           E.3.8.a. NaCl (a=5.64056 A)                                        *
*         E.3.9. KCl                                                           *
*           E.3.9.a. KCl (a=6.2933 A)                                          *
*         E.3.10. MnO                                                          *
*           E.3.10.a. MnO (a=4.267 A)                                          *
*         E.3.11. CoO                                                          *
*           E.3.11.a. CoO (a=4.4.03145 A)                                      *
*    E.4. Fluorites                                                            *
*         E.4.1. CaF2                                                          *
*           E.4.1.a. CaF2 (a=5.46294 A)                                        *
*         E.4.2. SrF2                                                          *
*           E.4.2.a. SrF2 (a=5.796 A)                                          *
*           E.4.2.b. SrF2 (a=5.7647 A; Da/a=-.0054; P=0.4 GPa; K=24.65 GPa)    *
*           E.4.2.c. SrF2 (a=5.7334 A; Da/a=-.0108; P=0.8 GPa; K=24.65 GPa)    *
*           E.4.2.d. SrF2 (a=5.7021 A; Da/a=-.0162; P=1.2 GPa; K=24.65 GPa)    *
*           E.4.2.e. SrF2 (a=5.6708 A; Da/a=-.0216; P=1.6 GPa; K=24.65 GPa)    *
*           E.4.2.f. SrF2 (a=5.4825 A; Da/a=-.0541; P=4.0 GPa; K=24.65 GPa)    *
*           E.4.2.g. SrF2 (a=5.1690 A; Da/a=-.1082; P=8.0 GPa; K=24.65 GPa)    *
*           E.4.2.h. SrF2 (a=4.8555 A; Da/a=-.1623; P=12.0 GPa; K=24.65 GPa)   *
*         E.4.3. BaF2                                                          *
*           E.4.3.a. BaF2 (a=6.2001 A)                                         *
*         E.4.4. CdF2                                                          *
*           E.4.4.a. CdF2                                                      *
*    E.5. Miscellany                                                           *
*         E.5.1. Cs2GeF6                                                       *
*           E.5.1.a. Cs2GeF6 (a=9.021 A, x=0.20)                               *
*         E.5.2. Cs2ZrCl6                                                      *
*           E.5.2.a. Cs2ZrCl6 (a=10.407 A, x=0.235)                            *
*         E.5.3. YVO4                                                          *
*           E.5.3.a. YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)         *
*         E.5.4. Al2O3  D63d(R3c)                                              *
*           E.5.4.a. Al2O3 (D63d(R3c) a=4.76 A c=12.995 A z=0.35219 x=0.69367) *
*         E.5.5. SrB4O7 (SrB4O7)                                               *
*           E.5.5.a. SrB4O7                                                    *
*         E.5.6. Lu2O3                                                         *
*           E.5.6.a. Lu2O3                                                     *
*    E.6. Zeolite related data                                                 *
*         E.6.1. Quartz                                                        *
*           E.6.1.a. Quartz                                                    *
*         E.6.2. Dehydrated Na-A zeolite                                       *
*           E.6.2.a. Dehydrated Na-A zeolite [1 aimp for 3 different oxygens]  *
*           E.6.2.b. Dehydrated Na-A zeolite [3 aimp's for 3 different oxygens]*
*    E.7. Zincblende                                                           *
*         E.7.1. CuF                                                           *
*           E.7.1.a. CuF (a=4.255 A)                                           *
*         E.7.2. CuCl                                                          *
*           E.7.2.a. CuCl (a=5.40 A)                                           *
*         E.7.3. CuBr                                                          *
*           E.7.3.a. CuBr (a=5.69 A)                                           *
*    E.8. Garnets                                                              *
*         E.8.01. Y3Al5O12 (YAG)                                               *
*         E.8.02. Gd3Al5O12 (GdAG)                                             *
*         E.8.03. Er3Al5O12 (ErAG)                                             *
*         E.8.04. Yb3Al5O12 (YbAG)                                             *
*         E.8.05. Lu3Al5O12 (LuAG)                                             *
*         E.8.06. Y3Ga5O12 (YGG)                                               *
*         E.8.07. Nd3Ga5O12 (NdGG)                                             *
*         E.8.08. Sm3Ga5O12 (SmGG)                                             *
*         E.8.09. Gd3Ga5O12 (GdGG)                                             *
*         E.8.10. Tb3Ga5O12 (TbGG)                                             *
*         E.8.11. Dy3Ga5O12 (DyGG)                                             *
*         E.8.12. Ho3Ga5O12 (HoGG)                                             *
*         E.8.13. Yb3Ga5O12 (YbGG)                                             *
*         E.8.14. Lu3Ga5O12 (LuGG)                                             *
*         E.8.15. Mg3Al2Si3O12 (Pyrope)                                        *
*         E.8.16. Ca3Al2Si3O12 (Grossular)                                     *
*         E.8.17. Mn3Al2Si3O12 (Spessartine)                                   *
*         E.8.18. Fe3Al2Si3O12 (Almandine)                                     *
*         E.8.19. Ca3Fe2Si3O12 (Andradite)                                     *
*         E.8.20. Ca3Sc2Si3O12                                                 *
*         E.8.21. Lu2CaMg2Si3O12                                               *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*                                                                              *
*             Core Ab Initio Model Potential Library                           *
*                                                                              *
********************************************************************************
*                  Please, report any bug, deficiency, or suggestion regarding *
*                  this library to Luis Seijo (luis.seijo@uam.es). Thank you.  *
********************************************************************************
* CORE AIMP CONTENTS                                                           *
********************************************************************************
* C. Core AIMPs                                                                *
*    C.1. Cowan-Griffin-relativistic core AIMPs: CG-AIMP                       *
*           MGE, TME, La, {Ln}, {An}             [missing Fr,Ra,Ac]            *
*    C.2. Non-relativistic core AIMPs: NR-AIMP                                 *
*           MGE, TME, La                         [missing Fr,Ra,{Ln},Ac,{An}]  *
*    C.3. Douglas-Kroll (No-Pair) relativistic core AIMPs: NP-AIMP, DK3-AIMP   *
*           TME, {Ln}, {An}                      [missing MGE,La,{Ln},Ac,{An}] *
********************************************************************************
* DETAILED CORE AIMP CONTENTS                                                  *
********************************************************************************
*                                                               recommended    *
*                                                               contraction    *
* C. Core AIMPs                                                                *
*    C.1. Cowan-Griffin-relativistic core AIMPs: CG-AIMP                       *
*       C.1.1. Main Group Elements                                             *
*         C.1.1.1. Alkaline Elements                                           *
*           /Li.ECP.Barandiaran.5s1p.1s1p.1e-CG-AIMP.               2s1p       *
*           /Na.ECP.Barandiaran.7s6p.1s2p.7e-CG-AIMP.               2s3p       *
*           /K.ECP.Barandiaran.9s7p.1s2p.7e-CG-AIMP.                2s3p       *
*           /Rb.ECP.Barandiaran.11s9p6d.1s2p1d.7e-CG-AIMP.          2s3p1d     *
*           /Cs.ECP.Barandiaran.13s11p8d.1s2p1d.7e-CG-AIMP.         3s3p1d     *
*         C.1.1.2. Alkaline Earth Elements                                     *
*           /Be.ECP.Barandiaran.5s1p.1s1p.2e-CG-AIMP.               2s1p       *
*           /Mg.ECP.Barandiaran.7s6p1d.1s2p1d.8e-CG-AIMP.           2s3p1d     *
*           /Ca.ECP.Barandiaran.9s7p5d.1s2p3d.8e-CG-AIMP.           2s3p3d     *
*           /Sr.ECP.Barandiaran.11s9p6d.1s2p1d.8e-CG-AIMP.          3s3p3d     *
*           /Ba.ECP.Barandiaran.13s11p8d.1s2p1d.8e-CG-AIMP.         3s3p3d     *
*         C.1.1.3. Group IIIA Elements                                         *
*           /B.ECP.Barandiaran.5s5p1d.1s1p1d.3e-CG-AIMP.            2s3p1d     *
*           /Al.ECP.Barandiaran.7s6p1d.1s1p1d.3e-CG-AIMP.           2s3p1d     *
*           /Ga.ECP.Barandiaran.9s8p4d.1s1p2d.3e-CG-AIMP.           3s3p2d     *
*           /In.ECP.Barandiaran.11s10p7d.1s1p2d.13e-CG-AIMP.        3s3p3d     *
*           /Tl.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.13e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.4. Group IVA Elements                                          *
*           /C.ECP.Barandiaran.5s5p1d.1s1p1d.4e-CG-AIMP.            2s3p1d     *
*           /Si.ECP.Barandiaran.7s6p1d.1s1p1d.4e-CG-AIMP.           2s3p1d     *
*           /Ge.ECP.Barandiaran.9s8p4d.1s1p2d.4e-CG-AIMP.           3s3p2d     *
*           /Sn.ECP.Barandiaran.11s10p7d.1s1p2d.14e-CG-AIMP.        3s3p3d     *
*           /Pb.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.14e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.5. Group VA Elements                                           *
*           /N.ECP.Barandiaran.5s5p1d.1s1p1d.5e-CG-AIMP.            2s3p1d     *
*           /P.ECP.Barandiaran.7s6p1d.1s1p1d.5e-CG-AIMP.            2s3p1d     *
*           /As.ECP.Barandiaran.9s8p4d.1s1p2d.5e-CG-AIMP.           3s3p2d     *
*           /Sb.ECP.Barandiaran.11s10p7d.1s1p2d.15e-CG-AIMP.        3s3p3d     *
*           /Bi.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.15e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.6. Group VIA Elements (Calcogens)                              *
*           /O.ECP.Barandiaran.5s6p1d.1s2p1d.6e-CG-AIMP.            2s4p1d     *
*           /S.ECP.Barandiaran.7s6p1d.1s1p1d.6e-CG-AIMP.            2s3p1d     *
*           /Se.ECP.Barandiaran.9s8p4d.1s1p2d.6e-CG-AIMP.           3s3p2d     *
*           /Te.ECP.Barandiaran.11s10p7d.1s1p2d.16e-CG-AIMP.        3s3p3d     *
*           /Po.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.16e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.7. Group VIIA Elements (Halogens)                              *
*           /F.ECP.Barandiaran.5s6p1d.1s2p1d.7e-CG-AIMP.            2s4p1d     *
*           /Cl.ECP.Barandiaran.7s7p1d.1s2p1d.7e-CG-AIMP.           2s4p1d     *
*           /Br.ECP.Barandiaran.9s8p4d.1s1p2d.7e-CG-AIMP.           3s4p2d     *
*           /I.ECP.Barandiaran.11s10p7d.1s1p2d.17e-CG-AIMP.         3s4p3d     *
*           /At.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.17e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.8. Group 0 Elements (Noble Gases)                              *
*           /Ne.ECP.Barandiaran.5s5p1d.1s1p1d.8e-CG-AIMP.           2s3p1d     *
*           /Ar.ECP.Barandiaran.7s6p1d.1s1p1d.8e-CG-AIMP.           2s3p1d     *
*           /Kr.ECP.Barandiaran.9s8p4d.1s1p2d.8e-CG-AIMP.           3s3p2d     *
*           /Xe.ECP.Barandiaran.11s10p7d.1s1p2d.18e-CG-AIMP.        3s3p3d     *
*           /Rn.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.18e-CG-AIMP.    3s4p3d2f   *
*       C.1.2. Transition Metal Elements                                       *
*         C.1.2.1. First Series Transition Metal Elements (core [Mg])          *
*           /Sc.ECP.Barandiaran.9s6p6d.1s2p2d.9e-CG-AIMP.           3s3p4d     *
*           /Ti.ECP.Barandiaran.9s6p6d.1s2p2d.10e-CG-AIMP.          3s3p4d     *
*           /V.ECP.Barandiaran.9s6p6d.1s2p2d.11e-CG-AIMP.           3s3p4d     *
*           /Cr.ECP.Barandiaran.9s6p6d.1s2p2d.12e-CG-AIMP.          3s3p4d     *
*           /Mn.ECP.Barandiaran.9s6p6d.1s2p2d.13e-CG-AIMP.          3s3p4d     *
*           /Fe.ECP.Barandiaran.9s6p6d.1s2p2d.14e-CG-AIMP.          3s3p4d     *
*           /Co.ECP.Barandiaran.9s6p6d.1s2p2d.15e-CG-AIMP.          3s3p4d     *
*           /Ni.ECP.Barandiaran.9s6p6d.1s2p2d.16e-CG-AIMP.          3s3p4d     *
*           /Cu.ECP.Barandiaran.9s6p6d.1s2p2d.17e-CG-AIMP.          3s3p4d     *
*           /Zn.ECP.Barandiaran.9s6p5d.1s2p1d.18e-CG-AIMP.          3s3p3d     *
*           /Sc.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.9e-CG-AIMP.       3s3p4d1f   *
*           /Ti.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.10e-CG-AIMP.      3s3p4d1f   *
*           /V.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.11e-CG-AIMP.       3s3p4d1f   *
*           /Cr.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.12e-CG-AIMP.      3s3p4d1f   *
*           /Mn.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.13e-CG-AIMP.      3s3p4d1f   *
*           /Fe.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.14e-CG-AIMP.      3s3p4d1f   *
*           /Co.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.15e-CG-AIMP.      3s3p4d1f   *
*           /Ni.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.16e-CG-AIMP.      3s3p4d1f   *
*           /Cu.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.17e-CG-AIMP.      3s3p4d1f   *
*           /Zn.ECP.Barandiaran.9s6p5d3f.1s2p1d1f.18e-CG-AIMP.      3s3p3d1f   *
*         C.1.2.2. Second Series Transition Metal Elements (core [Zn])         *
*           /Y.ECP.Barandiaran.11s8p7d.1s2p2d.9e-CG-AIMP.           3s3p4d     *
*           /Zr.ECP.Barandiaran.11s8p7d.1s2p2d.10e-CG-AIMP.         3s3p4d     *
*           /Nb.ECP.Barandiaran.11s8p7d.1s2p2d.11e-CG-AIMP.         3s3p4d     *
*           /Mo.ECP.Barandiaran.11s8p7d.1s2p2d.12e-CG-AIMP.         3s3p4d     *
*           /Tc.ECP.Barandiaran.11s8p7d.1s2p2d.13e-CG-AIMP.         3s3p4d     *
*           /Ru.ECP.Barandiaran.11s8p7d.1s2p2d.14e-CG-AIMP.         3s3p4d     *
*           /Rh.ECP.Barandiaran.11s8p7d.1s2p2d.15e-CG-AIMP.         3s3p4d     *
*           /Pd.ECP.Barandiaran.11s8p7d.1s2p2d.16e-CG-AIMP.         3s3p4d     *
*           /Ag.ECP.Barandiaran.11s8p7d.1s2p2d.17e-CG-AIMP.         3s3p4d     *
*           /Cd.ECP.Barandiaran.11s8p6d.1s2p1d.18e-CG-AIMP.         3s3p3d     *
*           /Y.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.9e-CG-AIMP.       3s3p4d1f   *
*           /Zr.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.10e-CG-AIMP.     3s3p4d1f   *
*           /Nb.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.11e-CG-AIMP.     3s3p4d1f   *
*           /Mo.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.12e-CG-AIMP.     3s3p4d1f   *
*           /Tc.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.13e-CG-AIMP.     3s3p4d1f   *
*           /Ru.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.14e-CG-AIMP.     3s3p4d1f   *
*           /Rh.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.15e-CG-AIMP.     3s3p4d1f   *
*           /Pd.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.16e-CG-AIMP.     3s3p4d1f   *
*           /Ag.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.17e-CG-AIMP.     3s3p4d1f   *
*         C.1.2.3 Lanthanum and Third Series Transition Metal Elements         *
*           /La.ECP.Casarrubios.13s10p8d.1s2p2d.9e-CG-AIMP.         3s3p3d     *
*           /Hf.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.10e-CG-AIMP.    3s3p4d2f   *
*           /Ta.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.11e-CG-AIMP.    3s3p4d2f   *
*           /W.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.12e-CG-AIMP.     3s3p4d2f   *
*           /Re.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.13e-CG-AIMP.    3s3p4d2f   *
*           /Os.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.14e-CG-AIMP.    3s3p4d2f   *
*           /Ir.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.15e-CG-AIMP.    3s3p4d2f   *
*           /Pt.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.16e-CG-AIMP.    3s3p4d2f   *
*           /Pt.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.16e-CG-AIMP-ave. 3s3p4d2f  *
*           /Au.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.17e-CG-AIMP.    3s3p4d2f   *
*           /Hg.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.18e-CG-AIMP.    3s3p4d2f   *
*       C.1.3. f-Elements                                                      *
*         C.1.3.1.a. Lanthanide Elements (core [Kr,4d])                        *
*           /Ce.ECP.Diaz-Megias.14s10p9d8f3g.2s1p1d1f1g.12e-CG-AIMP. 6s5p5d4f1g*
*           /Pr.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.13e-CG-AIMP.      6s5p5d4f1g *
*           /Nd.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.14e-CG-AIMP.      6s5p5d4f1g *
*           /Pm.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.15e-CG-AIMP.      6s5p5d4f1g *
*           /Sm.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.16e-CG-AIMP.      6s5p5d4f1g *
*           /Eu.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.17e-CG-AIMP.      6s5p5d4f1g *
*           /Gd.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.18e-CG-AIMP.      6s5p5d4f1g *
*           /Tb.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.19e-CG-AIMP.      6s5p5d4f1g *
*           /Dy.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.20e-CG-AIMP.      6s5p5d4f1g *
*           /Ho.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.21e-CG-AIMP.      6s5p5d4f1g *
*           /Er.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.22e-CG-AIMP.      6s5p5d4f1g *
*           /Tm.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.23e-CG-AIMP.      6s5p5d4f1g *
*           /Yb.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.24e-CG-AIMP.      6s5p5d4f1g *
*           /Lu.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.25e-CG-AIMP.      6s5p5d4f1g *
*         C.1.3.1.b. Lanthanide Elements (core [Kr])                           *
*           /Ce.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.22e-CG-AIMP.     6s5p6d4f1g *
*           /Pr.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.23e-CG-AIMP.     6s5p6d4f1g *
*           /Nd.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.24e-CG-AIMP.     6s5p6d4f1g *
*           /Pm.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.25e-CG-AIMP.     6s5p6d4f1g *
*           /Sm.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.26e-CG-AIMP.     6s5p6d4f1g *
*           /Eu.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.27e-CG-AIMP.     6s5p6d4f1g *
*           /Gd.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.28e-CG-AIMP.     6s5p6d4f1g *
*           /Tb.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.29e-CG-AIMP.     6s5p6d4f1g *
*           /Dy.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.30e-CG-AIMP.     6s5p6d4f1g *
*           /Ho.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.31e-CG-AIMP.     6s5p6d4f1g *
*           /Er.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.32e-CG-AIMP.     6s5p6d4f1g *
*           /Tm.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.33e-CG-AIMP.     6s5p6d4f1g *
*           /Yb.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.34e-CG-AIMP.     6s5p6d4f1g *
*           /Lu.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.35e-CG-AIMP.     6s5p6d4f1g *
*         C.1.3.1.c. Lanthanide Elements (core [M])                            *
*           /Ce.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.30e-CG-AIMP.     7s6p6d4f1g *
*           /Pr.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.31e-CG-AIMP.     7s6p6d4f1g *
*           /Nd.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.32e-CG-AIMP.     7s6p6d4f1g *
*           /Pm.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.33e-CG-AIMP.     7s6p6d4f1g *
*           /Sm.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.34e-CG-AIMP.     7s6p6d4f1g *
*           /Eu.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.35e-CG-AIMP.     7s6p6d4f1g *
*           /Gd.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.36e-CG-AIMP.     7s6p6d4f1g *
*           /Tb.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.37e-CG-AIMP.     7s6p6d4f1g *
*           /Dy.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.38e-CG-AIMP.     7s6p6d4f1g *
*           /Ho.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.39e-CG-AIMP.     7s6p6d4f1g *
*           /Er.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.40e-CG-AIMP.     7s6p6d4f1g *
*           /Tm.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.41e-CG-AIMP.     7s6p6d4f1g *
*           /Yb.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.42e-CG-AIMP.     7s6p6d4f1g *
*           /Lu.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.43e-CG-AIMP.     7s6p6d4f1g *
*         C.1.3.2.a. Actinide Elements (core [Xe,4f,5d])                       *
*           /Th.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.12e-CG-AIMP.     6s5p5d4f1g *
*           /Pa.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.13e-CG-AIMP.     6s5p5d4f1g *
*           /U.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.14e-CG-AIMP.      6s5p5d4f1g *
*           /Np.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.15e-CG-AIMP.     6s5p5d4f1g *
*           /Pu.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.16e-CG-AIMP.     6s5p5d4f1g *
*           /Am.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.17e-CG-AIMP.     6s5p5d4f1g *
*           /Cm.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.18e-CG-AIMP.     6s5p5d4f1g *
*           /Bk.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.19e-CG-AIMP.     6s5p5d4f1g *
*           /Cf.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.20e-CG-AIMP.     6s5p5d4f1g *
*           /Es.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.21e-CG-AIMP.     6s5p5d4f1g *
*           /Fm.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.22e-CG-AIMP.     6s5p5d4f1g *
*           /Md.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.23e-CG-AIMP.     6s5p5d4f1g *
*           /No.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.24e-CG-AIMP.     6s5p5d4f1g *
*           /Lr.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.25e-CG-AIMP.     6s5p5d4f1g *
*         C.1.3.2.b. Actinide Elements (core [Xe,4f])                          *
*           /Th.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.22e-CG-AIMP.     6s5p6d4f1g *
*           /Pa.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.23e-CG-AIMP.     6s5p6d4f1g *
*           /U.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.24e-CG-AIMP.      6s5p6d4f1g *
*           /Np.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.25e-CG-AIMP.     6s5p6d4f1g *
*           /Pu.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.26e-CG-AIMP.     6s5p6d4f1g *
*           /Am.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.27e-CG-AIMP.     6s5p6d4f1g *
*           /Cm.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.28e-CG-AIMP.     6s5p6d4f1g *
*           /Bk.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.29e-CG-AIMP.     6s5p6d4f1g *
*           /Cf.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.30e-CG-AIMP.     6s5p6d4f1g *
*           /Es.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.31e-CG-AIMP.     6s5p6d4f1g *
*           /Fm.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.32e-CG-AIMP.     6s5p6d4f1g *
*           /Md.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.33e-CG-AIMP.     6s5p6d4f1g *
*           /No.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.34e-CG-AIMP.     6s5p6d4f1g *
*           /Lr.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.35e-CG-AIMP.     6s5p6d4f1g *
*    C.2. Non-relativistic core AIMPs: NR-AIMP                                 *
*       C.2.1. Main Group Elements                                             *
*         C.2.1.1. Alkaline Elements                                           *
*           /Li.ECP.Huzinaga.5s1p.1s1p.1e-NR-AIMP.                  2s1p       *
*           /Na.ECP.Seijo.7s6p.1s2p.7e-NR-AIMP.                     2s3p       *
*           /K.ECP.Seijo.9s7p.1s2p.7e-NR-AIMP.                      2s3p       *
*           /Rb.ECP.Seijo.11s9p6d.1s2p1d.7e-NR-AIMP.                2s3p1d     *
*           /Cs.ECP.Seijo.13s11p8d.1s2p1d.7e-NR-AIMP.               3s3p1d     *
*         C.2.1.2. Alkaline Earth Elements                                     *
*           /Be.ECP.Huzinaga.5s1p.1s1p.2e-NR-AIMP.                  2s1p       *
*           /Mg.ECP.Seijo.7s6p1d.1s2p1d.8e-NR-AIMP.                 2s3p1d     *
*           /Ca.ECP.Seijo.9s7p5d.1s2p3d.8e-NR-AIMP.                 2s3p3d     *
*           /Sr.ECP.Seijo.11s9p7d.1s2p1d.8e-NR-AIMP.                3s3p3d     *
*           /Ba.ECP.Seijo.13s11p8d.1s2p1d.8e-NR-AIMP.               3s3p3d     *
*         C.2.1.3. Group IIIA Elements                                         *
*           /B.ECP.Huzinaga.5s5p1d.1s1p1d.3e-NR-AIMP.               2s3p1d     *
*           /Al.ECP.Huzinaga.7s6p1d.1s1p1d.3e-NR-AIMP.              2s3p1d     *
*           /Ga.ECP.Huzinaga.9s8p4d.1s1p2d.3e-NR-AIMP.              3s3p2d     *
*           /In.ECP.Barandiaran.11s10p7d.1s1p2d.13e-NR-AIMP.        3s3p3d     *
*           /Tl.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.13e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.4. Group IVA Elements                                          *
*           /C.ECP.Huzinaga.5s5p1d.1s1p1d.4e-NR-AIMP.               2s3p1d     *
*           /Si.ECP.Huzinaga.7s6p1d.1s1p1d.4e-NR-AIMP.              2s3p1d     *
*           /Ge.ECP.Huzinaga.9s8p4d.1s1p2d.4e-NR-AIMP.              3s3p2d     *
*           /Sn.ECP.Barandiaran.11s10p7d.1s1p2d.14e-NR-AIMP.        3s3p3d     *
*           /Pb.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.14e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.5. Group VA Elements                                           *
*           /N.ECP.Huzinaga.5s5p1d.1s1p1d.5e-NR-AIMP.               2s3p1d     *
*           /P.ECP.Huzinaga.7s6p1d.1s1p1d.5e-NR-AIMP.               2s3p1d     *
*           /As.ECP.Huzinaga.9s8p4d.1s1p2d.5e-NR-AIMP.              3s3p2d     *
*           /Sb.ECP.Barandiaran.11s10p7d.1s1p2d.15e-NR-AIMP.        3s3p3d     *
*           /Bi.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.15e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.6. Group VIA Elements (Calcogens)                              *
*           /O.ECP.Huzinaga.5s6p1d.1s2p1d.6e-NR-AIMP.               2s4p1d     *
*           /S.ECP.Huzinaga.7s6p1d.1s1p1d.6e-NR-AIMP.               2s3p1d     *
*           /Se.ECP.Huzinaga.9s8p4d.1s1p2d.6e-NR-AIMP.              3s3p2d     *
*           /Te.ECP.Barandiaran.11s10p7d.1s1p2d.16e-NR-AIMP.        3s3p3d     *
*           /Po.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.16e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.7. Group VIIA Elements (Halogens)                              *
*           /F.ECP.Huzinaga.5s6p1d.1s2p1d.7e-NR-AIMP.               2s4p1d     *
*           /Cl.ECP.Huzinaga.7s7p1d.1s2p1d.7e-NR-AIMP.              2s4p1d     *
*           /Br.ECP.Huzinaga.9s8p4d.1s1p2d.7e-NR-AIMP.              3s4p2d     *
*           /I.ECP.Barandiaran.11s10p7d.1s1p2d.17e-NR-AIMP.         3s4p3d     *
*           /At.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.17e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.8. Group 0 Elements (Noble Gases)                              *
*           /Ne.ECP.Huzinaga.5s5p1d.1s1p1d.8e-NR-AIMP.              2s3p1d     *
*           /Ar.ECP.Huzinaga.7s6p1d.1s1p1d.8e-NR-AIMP.              2s3p1d     *
*           /Kr.ECP.Huzinaga.9s8p4d.1s1p2d.8e-NR-AIMP.              3s3p2d     *
*           /Xe.ECP.Barandiaran.11s10p7d.1s1p2d.18e-NR-AIMP.        3s3p3d     *
*           /Rn.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.18e-NR-AIMP.    3s4p3d2f   *
*       C.2.2. Transition Metal Elements                                       *
*         C.2.2.1. First Series Transition Metal Elements                      *
*           /Sc.ECP.Seijo.9s6p6d.1s2p2d.9e-NR-AIMP.                 3s3p4d     *
*           /Ti.ECP.Seijo.9s6p6d.1s2p2d.10e-NR-AIMP.                3s3p4d     *
*           /V.ECP.Seijo.9s6p6d.1s2p2d.11e-NR-AIMP.                 3s3p4d     *
*           /Cr.ECP.Seijo.9s6p6d.1s2p2d.12e-NR-AIMP.                3s3p4d     *
*           /Mn.ECP.Seijo.9s6p6d.1s2p2d.13e-NR-AIMP.                3s3p4d     *
*           /Fe.ECP.Seijo.9s6p6d.1s2p2d.14e-NR-AIMP.                3s3p4d     *
*           /Co.ECP.Seijo.9s6p6d.1s2p2d.15e-NR-AIMP.                3s3p4d     *
*           /Ni.ECP.Seijo.9s6p6d.1s2p2d.16e-NR-AIMP.                3s3p4d     *
*           /Cu.ECP.Seijo.9s6p6d.1s2p2d.17e-NR-AIMP.                3s3p4d     *
*           /Zn.ECP.Seijo.9s6p5d.1s2p1d.18e-NR-AIMP.                3s3p3d     *
*         C.2.2.2. Second Series Transition Metal Elements                     *
*           /Y.ECP.Barandiaran.11s8p7d.1s2p2d.9e-NR-AIMP.           3s3p4d     *
*           /Zr.ECP.Barandiaran.11s8p7d.1s2p2d.10e-NR-AIMP.         3s3p4d     *
*           /Nb.ECP.Barandiaran.11s8p7d.1s2p2d.11e-NR-AIMP.         3s3p4d     *
*           /Mo.ECP.Barandiaran.11s8p7d.1s2p2d.12e-NR-AIMP.         3s3p4d     *
*           /Tc.ECP.Barandiaran.11s8p7d.1s2p2d.13e-NR-AIMP.         3s3p4d     *
*           /Ru.ECP.Barandiaran.11s8p7d.1s2p2d.14e-NR-AIMP.         3s3p4d     *
*           /Rh.ECP.Barandiaran.11s8p7d.1s2p2d.15e-NR-AIMP.         3s3p4d     *
*           /Pd.ECP.Barandiaran.11s8p7d.1s2p2d.16e-NR-AIMP.         3s3p4d     *
*           /Ag.ECP.Barandiaran.11s8p7d.1s2p2d.17e-NR-AIMP.         3s3p4d     *
*           /Cd.ECP.Barandiaran.11s8p6d.1s2p1d.18e-NR-AIMP.         3s3p3d     *
*         C.2.2.3 Lanthanum and Third Series Transition Metal Elements         *
*           /La.ECP.Casarrubios.13s10p8d.1s2p2d.9e-NR-AIMP.         3s3p3d     *
*           /Hf.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.10e-NR-AIMP.    3s3p4d2f   *
*           /Ta.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.11e-NR-AIMP.    3s3p4d2f   *
*           /W.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.12e-NR-AIMP.     3s3p4d2f   *
*           /Re.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.13e-NR-AIMP.    3s3p4d2f   *
*           /Os.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.14e-NR-AIMP.    3s3p4d2f   *
*           /Ir.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.15e-NR-AIMP.    3s3p4d2f   *
*           /Pt.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.16e-NR-AIMP.    3s3p4d2f   *
*           /Au.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.17e-NR-AIMP.    3s3p4d2f   *
*           /Hg.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.18e-NR-AIMP.    3s3p4d2f   *
*    C.3. Douglas-Kroll-Hess (No-Pair) relativistic core AIMPs:                *
*       C.3.2. Transition Metal Elements                                       *
*         C.3.2.1. First Series Transition Metal Elements (core [Ne])          *
*           /Sc.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.11e-NP-AIMP.                    *
*           /Ti.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.12e-NP-AIMP.                    *
*           /V.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.13e-NP-AIMP.                     *
*           /Cr.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.14e-NP-AIMP.                    *
*           /Mn.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.15e-NP-AIMP.                    *
*           /Fe.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.16e-NP-AIMP.                    *
*           /Co.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.17e-NP-AIMP.                    *
*           /Ni.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.18e-NP-AIMP.                    *
*           /Cu.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.19e-NP-AIMP.                    *
*           /Zn.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.20e-NP-AIMP.                    *
*         C.3.2.2. Second Series Transition Metal Elements (core [Ar,3d])      *
*           /Y.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.11e-NP-AIMP.                    *
*           /Zr.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.12e-NP-AIMP.                   *
*           /Nb.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.13e-NP-AIMP.                   *
*           /Mo.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.14e-NP-AIMP.                   *
*           /Tc.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.15e-NP-AIMP.                   *
*           /Ru.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.16e-NP-AIMP.                   *
*           /Rh.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.17e-NP-AIMP.                   *
*           /Pd.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.18e-NP-AIMP.                   *
*           /Ag.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.19e-NP-AIMP.                   *
*           /Cd.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.20e-NP-AIMP.                   *
*         C.3.2.3. Third Series Transition Metal Elements (core [Kr,4d,4f])    *
*           /Hf.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.12e-NP-AIMP.                  *
*           /Hf.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.12e-NP-AIMP.                  *
*           /Ta.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.13e-NP-AIMP.                  *
*           /Ta.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.13e-NP-AIMP.                  *
*           /W.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.14e-NP-AIMP.                   *
*           /W.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.14e-NP-AIMP.                   *
*           /Re.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.15e-NP-AIMP.                  *
*           /Re.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.15e-NP-AIMP.                  *
*           /Os.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.16e-NP-AIMP.                  *
*           /Os.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.16e-NP-AIMP.                  *
*           /Ir.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.17e-NP-AIMP.                  *
*           /Ir.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.17e-NP-AIMP.                  *
*           /Pt.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.18e-NP-AIMP.                  *
*           /Pt.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.18e-NP-AIMP.                  *
*           /Au.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.19e-NP-AIMP.                  *
*           /Au.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.19e-NP-AIMP.                  *
*           /Hg.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.20e-NP-AIMP.                  *
*           /Hg.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.20e-NP-AIMP.                  *
*       C.3.3. f-Elements                                                      *
*         C.3.3.1.a. Lanthanide Elements (core [Kr,4d])                        *
*           /Ce.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.12e-DK3-AIMP.      6s5p5d4f   *
*           /Pr.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.13e-DK3-AIMP.      6s5p5d4f   *
*           /Nd.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.14e-DK3-AIMP.      6s5p5d4f   *
*           /Pm.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.15e-DK3-AIMP.      6s5p5d4f   *
*           /Sm.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.16e-DK3-AIMP.      6s5p5d4f   *
*           /Eu.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.17e-DK3-AIMP.      6s5p5d4f   *
*           /Gd.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.18e-DK3-AIMP.      6s5p5d4f   *
*           /Tb.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.19e-DK3-AIMP.      6s5p5d4f   *
*           /Dy.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.20e-DK3-AIMP.      6s5p5d4f   *
*           /Ho.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.21e-DK3-AIMP.      6s5p5d4f   *
*           /Er.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.22e-DK3-AIMP.      6s5p5d4f   *
*           /Tm.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.23e-DK3-AIMP.      6s5p5d4f   *
*           /Yb.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.24e-DK3-AIMP.      6s5p5d4f   *
*           /Lu.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.25e-DK3-AIMP.      6s5p5d4f   *
*         C.3.3.2.a. Actinide Elements (core [Xe,4f,5d])                       *
*           /Th.ECP.Paulovic.14s10p11d9f.2s1p1d1f.12e-DK3-AIMP.     6s5p5d4f   *
*           /Pa.ECP.Paulovic.14s10p11d9f.2s1p1d1f.13e-DK3-AIMP.     6s5p5d4f   *
*           /U.ECP.Paulovic.14s10p11d9f.2s1p1d1f.14e-DK3-AIMP.      6s5p5d4f   *
*           /Np.ECP.Paulovic.14s10p11d9f.2s1p1d1f.15e-DK3-AIMP.     6s5p5d4f   *
*           /Pu.ECP.Paulovic.14s10p11d9f.2s1p1d1f.16e-DK3-AIMP.     6s5p5d4f   *
*           /Am.ECP.Paulovic.14s10p11d9f.2s1p1d1f.17e-DK3-AIMP.     6s5p5d4f   *
*           /Cm.ECP.Paulovic.14s10p11d9f.2s1p1d1f.18e-DK3-AIMP.     6s5p5d4f   *
*           /Bk.ECP.Paulovic.14s10p11d9f.2s1p1d1f.19e-DK3-AIMP.     6s5p5d4f   *
*           /Cf.ECP.Paulovic.14s10p11d9f.2s1p1d1f.20e-DK3-AIMP.     6s5p5d4f   *
*           /Es.ECP.Paulovic.14s10p11d9f.2s1p1d1f.21e-DK3-AIMP.     6s5p5d4f   *
*           /Fm.ECP.Paulovic.14s10p11d9f.2s1p1d1f.22e-DK3-AIMP.     6s5p5d4f   *
*           /Md.ECP.Paulovic.14s10p11d9f.2s1p1d1f.23e-DK3-AIMP.     6s5p5d4f   *
*           /No.ECP.Paulovic.14s10p11d9f.2s1p1d1f.24e-DK3-AIMP.     6s5p5d4f   *
*           /Lr.ECP.Paulovic.14s10p11d9f.2s1p1d1f.25e-DK3-AIMP.     6s5p5d4f   *
*         C.3.3.2.b. Actinide Elements (core [Xe,4f])                          *
*           /Th.ECP.Paulovic.14s10p12d9f.2s1p2d1f.22e-DK3-AIMP.     6s5p6d4f   *
*           /Pa.ECP.Paulovic.14s10p12d9f.2s1p2d1f.23e-DK3-AIMP.     6s5p6d4f   *
*           /U.ECP.Paulovic.14s10p12d9f.2s1p2d1f.24e-DK3-AIMP.      6s5p6d4f   *
*           /Np.ECP.Paulovic.14s10p12d9f.2s1p2d1f.25e-DK3-AIMP.     6s5p6d4f   *
*           /Pu.ECP.Paulovic.14s10p12d9f.2s1p2d1f.26e-DK3-AIMP.     6s5p6d4f   *
*           /Am.ECP.Paulovic.14s10p12d9f.2s1p2d1f.27e-DK3-AIMP.     6s5p6d4f   *
*           /Cm.ECP.Paulovic.14s10p12d9f.2s1p2d1f.28e-DK3-AIMP.     6s5p6d4f   *
*           /Bk.ECP.Paulovic.14s10p12d9f.2s1p2d1f.29e-DK3-AIMP.     6s5p6d4f   *
*           /Cf.ECP.Paulovic.14s10p12d9f.2s1p2d1f.30e-DK3-AIMP.     6s5p6d4f   *
*           /Es.ECP.Paulovic.14s10p12d9f.2s1p2d1f.31e-DK3-AIMP.     6s5p6d4f   *
*           /Fm.ECP.Paulovic.14s10p12d9f.2s1p2d1f.32e-DK3-AIMP.     6s5p6d4f   *
*           /Md.ECP.Paulovic.14s10p12d9f.2s1p2d1f.33e-DK3-AIMP.     6s5p6d4f   *
*           /No.ECP.Paulovic.14s10p12d9f.2s1p2d1f.34e-DK3-AIMP.     6s5p6d4f   *
*           /Lr.ECP.Paulovic.14s10p12d9f.2s1p2d1f.35e-DK3-AIMP.     6s5p6d4f   *
********************************************************************************
* END OF CORE AIMP CONTENTS                                                    *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
* C.1. Cowan-Griffin-relativistic core AIMPs: CG-AIMP                          *
********************************************************************************
********************************************************************************
*                                                               recommended    *
*                                                               contraction    *
*       C.1.1. Main Group Elements                                             *
*         C.1.1.1. Alkaline Elements                                           *
*           /Li.ECP.Barandiaran.5s1p.1s1p.1e-CG-AIMP.               2s1p       *
*           /Na.ECP.Barandiaran.7s6p.1s2p.7e-CG-AIMP.               2s3p       *
*           /K.ECP.Barandiaran.9s7p.1s2p.7e-CG-AIMP.                2s3p       *
*           /Rb.ECP.Barandiaran.11s9p6d.1s2p1d.7e-CG-AIMP.          2s3p1d     *
*           /Cs.ECP.Barandiaran.13s11p8d.1s2p1d.7e-CG-AIMP.         3s3p1d     *
*         C.1.1.2. Alkaline Earth Elements                                     *
*           /Be.ECP.Barandiaran.5s1p.1s1p.2e-CG-AIMP.               2s1p       *
*           /Mg.ECP.Barandiaran.7s6p1d.1s2p1d.8e-CG-AIMP.           2s3p1d     *
*           /Ca.ECP.Barandiaran.9s7p5d.1s2p3d.8e-CG-AIMP.           2s3p3d     *
*           /Sr.ECP.Barandiaran.11s9p6d.1s2p1d.8e-CG-AIMP.          3s3p3d     *
*           /Ba.ECP.Barandiaran.13s11p8d.1s2p1d.8e-CG-AIMP.         3s3p3d     *
*         C.1.1.3. Group IIIA Elements                                         *
*           /B.ECP.Barandiaran.5s5p1d.1s1p1d.3e-CG-AIMP.            2s3p1d     *
*           /Al.ECP.Barandiaran.7s6p1d.1s1p1d.3e-CG-AIMP.           2s3p1d     *
*           /Ga.ECP.Barandiaran.9s8p4d.1s1p2d.3e-CG-AIMP.           3s3p2d     *
*           /In.ECP.Barandiaran.11s10p7d.1s1p2d.13e-CG-AIMP.        3s3p3d     *
*           /Tl.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.13e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.4. Group IVA Elements                                          *
*           /C.ECP.Barandiaran.5s5p1d.1s1p1d.4e-CG-AIMP.            2s3p1d     *
*           /Si.ECP.Barandiaran.7s6p1d.1s1p1d.4e-CG-AIMP.           2s3p1d     *
*           /Ge.ECP.Barandiaran.9s8p4d.1s1p2d.4e-CG-AIMP.           3s3p2d     *
*           /Sn.ECP.Barandiaran.11s10p7d.1s1p2d.14e-CG-AIMP.        3s3p3d     *
*           /Pb.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.14e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.5. Group VA Elements                                           *
*           /N.ECP.Barandiaran.5s5p1d.1s1p1d.5e-CG-AIMP.            2s3p1d     *
*           /P.ECP.Barandiaran.7s6p1d.1s1p1d.5e-CG-AIMP.            2s3p1d     *
*           /As.ECP.Barandiaran.9s8p4d.1s1p2d.5e-CG-AIMP.           3s3p2d     *
*           /Sb.ECP.Barandiaran.11s10p7d.1s1p2d.15e-CG-AIMP.        3s3p3d     *
*           /Bi.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.15e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.6. Group VIA Elements (Calcogens)                              *
*           /O.ECP.Barandiaran.5s6p1d.1s2p1d.6e-CG-AIMP.            2s4p1d     *
*           /S.ECP.Barandiaran.7s6p1d.1s1p1d.6e-CG-AIMP.            2s3p1d     *
*           /Se.ECP.Barandiaran.9s8p4d.1s1p2d.6e-CG-AIMP.           3s3p2d     *
*           /Te.ECP.Barandiaran.11s10p7d.1s1p2d.16e-CG-AIMP.        3s3p3d     *
*           /Po.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.16e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.7. Group VIIA Elements (Halogens)                              *
*           /F.ECP.Barandiaran.5s6p1d.1s2p1d.7e-CG-AIMP.            2s4p1d     *
*           /Cl.ECP.Barandiaran.7s7p1d.1s2p1d.7e-CG-AIMP.           2s4p1d     *
*           /Br.ECP.Barandiaran.9s8p4d.1s1p2d.7e-CG-AIMP.           3s4p2d     *
*           /I.ECP.Barandiaran.11s10p7d.1s1p2d.17e-CG-AIMP.         3s4p3d     *
*           /At.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.17e-CG-AIMP.    3s4p3d2f   *
*         C.1.1.8. Group 0 Elements (Noble Gases)                              *
*           /Ne.ECP.Barandiaran.5s5p1d.1s1p1d.8e-CG-AIMP.           2s3p1d     *
*           /Ar.ECP.Barandiaran.7s6p1d.1s1p1d.8e-CG-AIMP.           2s3p1d     *
*           /Kr.ECP.Barandiaran.9s8p4d.1s1p2d.8e-CG-AIMP.           3s3p2d     *
*           /Xe.ECP.Barandiaran.11s10p7d.1s1p2d.18e-CG-AIMP.        3s3p3d     *
*           /Rn.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.18e-CG-AIMP.    3s4p3d2f   *
*       C.1.2. Transition Metal Elements                                       *
*         C.1.2.1. First Series Transition Metal Elements (core [Mg])          *
*           /Sc.ECP.Barandiaran.9s6p6d.1s2p2d.9e-CG-AIMP.           3s3p4d     *
*           /Ti.ECP.Barandiaran.9s6p6d.1s2p2d.10e-CG-AIMP.          3s3p4d     *
*           /V.ECP.Barandiaran.9s6p6d.1s2p2d.11e-CG-AIMP.           3s3p4d     *
*           /Cr.ECP.Barandiaran.9s6p6d.1s2p2d.12e-CG-AIMP.          3s3p4d     *
*           /Mn.ECP.Barandiaran.9s6p6d.1s2p2d.13e-CG-AIMP.          3s3p4d     *
*           /Fe.ECP.Barandiaran.9s6p6d.1s2p2d.14e-CG-AIMP.          3s3p4d     *
*           /Co.ECP.Barandiaran.9s6p6d.1s2p2d.15e-CG-AIMP.          3s3p4d     *
*           /Ni.ECP.Barandiaran.9s6p6d.1s2p2d.16e-CG-AIMP.          3s3p4d     *
*           /Cu.ECP.Barandiaran.9s6p6d.1s2p2d.17e-CG-AIMP.          3s3p4d     *
*           /Zn.ECP.Barandiaran.9s6p5d.1s2p1d.18e-CG-AIMP.          3s3p3d     *
*           /Sc.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.9e-CG-AIMP.       3s3p4d1f   *
*           /Ti.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.10e-CG-AIMP.      3s3p4d1f   *
*           /V.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.11e-CG-AIMP.       3s3p4d1f   *
*           /Cr.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.12e-CG-AIMP.      3s3p4d1f   *
*           /Mn.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.13e-CG-AIMP.      3s3p4d1f   *
*           /Fe.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.14e-CG-AIMP.      3s3p4d1f   *
*           /Co.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.15e-CG-AIMP.      3s3p4d1f   *
*           /Ni.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.16e-CG-AIMP.      3s3p4d1f   *
*           /Cu.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.17e-CG-AIMP.      3s3p4d1f   *
*           /Zn.ECP.Barandiaran.9s6p5d3f.1s2p1d1f.18e-CG-AIMP.      3s3p3d1f   *
*         C.1.2.2. Second Series Transition Metal Elements (core [Zn])         *
*           /Y.ECP.Barandiaran.11s8p7d.1s2p2d.9e-CG-AIMP.           3s3p4d     *
*           /Zr.ECP.Barandiaran.11s8p7d.1s2p2d.10e-CG-AIMP.         3s3p4d     *
*           /Nb.ECP.Barandiaran.11s8p7d.1s2p2d.11e-CG-AIMP.         3s3p4d     *
*           /Mo.ECP.Barandiaran.11s8p7d.1s2p2d.12e-CG-AIMP.         3s3p4d     *
*           /Tc.ECP.Barandiaran.11s8p7d.1s2p2d.13e-CG-AIMP.         3s3p4d     *
*           /Ru.ECP.Barandiaran.11s8p7d.1s2p2d.14e-CG-AIMP.         3s3p4d     *
*           /Rh.ECP.Barandiaran.11s8p7d.1s2p2d.15e-CG-AIMP.         3s3p4d     *
*           /Pd.ECP.Barandiaran.11s8p7d.1s2p2d.16e-CG-AIMP.         3s3p4d     *
*           /Ag.ECP.Barandiaran.11s8p7d.1s2p2d.17e-CG-AIMP.         3s3p4d     *
*           /Cd.ECP.Barandiaran.11s8p6d.1s2p1d.18e-CG-AIMP.         3s3p3d     *
*           /Y.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.9e-CG-AIMP.       3s3p4d1f   *
*           /Zr.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.10e-CG-AIMP.     3s3p4d1f   *
*           /Nb.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.11e-CG-AIMP.     3s3p4d1f   *
*           /Mo.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.12e-CG-AIMP.     3s3p4d1f   *
*           /Tc.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.13e-CG-AIMP.     3s3p4d1f   *
*           /Ru.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.14e-CG-AIMP.     3s3p4d1f   *
*           /Rh.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.15e-CG-AIMP.     3s3p4d1f   *
*           /Pd.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.16e-CG-AIMP.     3s3p4d1f   *
*           /Ag.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.17e-CG-AIMP.     3s3p4d1f   *
*         C.1.2.3. Lanthanum and Third Series Transition Metal Elements        *
*           /La.ECP.Casarrubios.13s10p8d.1s2p2d.9e-CG-AIMP.         3s3p3d     *
*           /Hf.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.10e-CG-AIMP.    3s3p4d2f   *
*           /Ta.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.11e-CG-AIMP.    3s3p4d2f   *
*           /W.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.12e-CG-AIMP.     3s3p4d2f   *
*           /Re.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.13e-CG-AIMP.    3s3p4d2f   *
*           /Os.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.14e-CG-AIMP.    3s3p4d2f   *
*           /Ir.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.15e-CG-AIMP.    3s3p4d2f   *
*           /Pt.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.16e-CG-AIMP.    3s3p4d2f   *
*           /Pt.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.16e-CG-AIMP-ave. 3s3p4d2f  *
*           /Au.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.17e-CG-AIMP.    3s3p4d2f   *
*           /Hg.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.18e-CG-AIMP.    3s3p4d2f   *
*       C.1.3. f-Elements                                                      *
*         C.1.3.1.a. Lanthanide Elements (core [Kr,4d])                        *
*           /Ce.ECP.Diaz-Megias.14s10p9d8f3g.2s1p1d1f1g.12e-CG-AIMP. 6s5p5d4f1g*
*           /Pr.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.13e-CG-AIMP.      6s5p5d4f1g *
*           /Nd.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.14e-CG-AIMP.      6s5p5d4f1g *
*           /Pm.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.15e-CG-AIMP.      6s5p5d4f1g *
*           /Sm.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.16e-CG-AIMP.      6s5p5d4f1g *
*           /Eu.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.17e-CG-AIMP.      6s5p5d4f1g *
*           /Gd.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.18e-CG-AIMP.      6s5p5d4f1g *
*           /Tb.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.19e-CG-AIMP.      6s5p5d4f1g *
*           /Dy.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.20e-CG-AIMP.      6s5p5d4f1g *
*           /Ho.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.21e-CG-AIMP.      6s5p5d4f1g *
*           /Er.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.22e-CG-AIMP.      6s5p5d4f1g *
*           /Tm.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.23e-CG-AIMP.      6s5p5d4f1g *
*           /Yb.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.24e-CG-AIMP.      6s5p5d4f1g *
*           /Lu.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.25e-CG-AIMP.      6s5p5d4f1g *
*         C.1.3.1.b. Lanthanide Elements (core [Kr])                           *
*           /Ce.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.22e-CG-AIMP.     6s5p6d4f1g *
*           /Pr.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.23e-CG-AIMP.     6s5p6d4f1g *
*           /Nd.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.24e-CG-AIMP.     6s5p6d4f1g *
*           /Pm.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.25e-CG-AIMP.     6s5p6d4f1g *
*           /Sm.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.26e-CG-AIMP.     6s5p6d4f1g *
*           /Eu.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.27e-CG-AIMP.     6s5p6d4f1g *
*           /Gd.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.28e-CG-AIMP.     6s5p6d4f1g *
*           /Tb.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.29e-CG-AIMP.     6s5p6d4f1g *
*           /Dy.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.30e-CG-AIMP.     6s5p6d4f1g *
*           /Ho.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.31e-CG-AIMP.     6s5p6d4f1g *
*           /Er.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.32e-CG-AIMP.     6s5p6d4f1g *
*           /Tm.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.33e-CG-AIMP.     6s5p6d4f1g *
*           /Yb.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.34e-CG-AIMP.     6s5p6d4f1g *
*           /Lu.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.35e-CG-AIMP.     6s5p6d4f1g *
*         C.1.3.1.c. Lanthanide Elements (core [M])                            *
*           /Ce.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.30e-CG-AIMP.     7s6p6d4f1g *
*           /Pr.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.31e-CG-AIMP.     7s6p6d4f1g *
*           /Nd.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.32e-CG-AIMP.     7s6p6d4f1g *
*           /Pm.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.33e-CG-AIMP.     7s6p6d4f1g *
*           /Sm.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.34e-CG-AIMP.     7s6p6d4f1g *
*           /Eu.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.35e-CG-AIMP.     7s6p6d4f1g *
*           /Gd.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.36e-CG-AIMP.     7s6p6d4f1g *
*           /Tb.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.37e-CG-AIMP.     7s6p6d4f1g *
*           /Dy.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.38e-CG-AIMP.     7s6p6d4f1g *
*           /Ho.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.39e-CG-AIMP.     7s6p6d4f1g *
*           /Er.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.40e-CG-AIMP.     7s6p6d4f1g *
*           /Tm.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.41e-CG-AIMP.     7s6p6d4f1g *
*           /Yb.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.42e-CG-AIMP.     7s6p6d4f1g *
*           /Lu.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.43e-CG-AIMP.     7s6p6d4f1g *
*         C.1.3.2.a. Actinide Elements (core [Xe,4f,5d])                       *
*           /Th.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.12e-CG-AIMP.     6s5p5d4f1g *
*           /Pa.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.13e-CG-AIMP.     6s5p5d4f1g *
*           /U.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.14e-CG-AIMP.      6s5p5d4f1g *
*           /Np.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.15e-CG-AIMP.     6s5p5d4f1g *
*           /Pu.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.16e-CG-AIMP.     6s5p5d4f1g *
*           /Am.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.17e-CG-AIMP.     6s5p5d4f1g *
*           /Cm.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.18e-CG-AIMP.     6s5p5d4f1g *
*           /Bk.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.19e-CG-AIMP.     6s5p5d4f1g *
*           /Cf.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.20e-CG-AIMP.     6s5p5d4f1g *
*           /Es.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.21e-CG-AIMP.     6s5p5d4f1g *
*           /Fm.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.22e-CG-AIMP.     6s5p5d4f1g *
*           /Md.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.23e-CG-AIMP.     6s5p5d4f1g *
*           /No.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.24e-CG-AIMP.     6s5p5d4f1g *
*           /Lr.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.25e-CG-AIMP.     6s5p5d4f1g *
*         C.1.3.2.b. Actinide Elements (core [Xe,4f])                          *
*           /Th.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.22e-CG-AIMP.     6s5p6d4f1g *
*           /Pa.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.23e-CG-AIMP.     6s5p6d4f1g *
*           /U.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.24e-CG-AIMP.      6s5p6d4f1g *
*           /Np.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.25e-CG-AIMP.     6s5p6d4f1g *
*           /Pu.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.26e-CG-AIMP.     6s5p6d4f1g *
*           /Am.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.27e-CG-AIMP.     6s5p6d4f1g *
*           /Cm.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.28e-CG-AIMP.     6s5p6d4f1g *
*           /Bk.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.29e-CG-AIMP.     6s5p6d4f1g *
*           /Cf.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.30e-CG-AIMP.     6s5p6d4f1g *
*           /Es.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.31e-CG-AIMP.     6s5p6d4f1g *
*           /Fm.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.32e-CG-AIMP.     6s5p6d4f1g *
*           /Md.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.33e-CG-AIMP.     6s5p6d4f1g *
*           /No.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.34e-CG-AIMP.     6s5p6d4f1g *
*           /Lr.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.35e-CG-AIMP.     6s5p6d4f1g *
********************************************************************************
*
* - Except when indicated otherwise, polarization functions are taken from
*   S.Huzinaga (Editor), J.Andzelm, M.Klobukowski, E.Radzio, Y.Sakai,
*   and H.Tatewaki, "Gaussian Basis Sets for Molecular Calculations"
*   (Elsevier, Amsterdam, 1984).
*
********************************************************************************
*    C.1.1. Main Group Elements
********************************************************************************
*
********************************************************************************
*         C.1.1.1. Alkaline Elements
********************************************************************************
*
/Li.ECP.Barandiaran.5s1p.1s1p.1e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic     core[He] val[2s]     (51/1*)=2s1p recommended
*LIQR-S(5/1)                   (51/1) recomended
  1.000000         1

    5    1
   30.37085710
   4.485234250
   .8652543340
   .6307418490E-01
   .2434408340E-01
  -.013403400500
  -.075575864900
  -.190394563000
   .684382478000
   .390204196000
    1    1
   .7600000000E-01
  1.000000000000
*
* Core AIMP: LIQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    8
   148400.0000
   10640.00000
   1443.000000
   262.2000000
   58.70000000
   15.82000000
   4.974000000
   1.732000000

   .015592682000
   .032292171000
   .073433474000
   .153493540000
   .306600780000
   .555795220000
   .645499070000
   .217293050000
M2
    0
COREREP
   1.0
PROJOP
    0
    6    1
  4.95599380
   221.0000000
   38.02000000
   10.09000000
   3.234000000
   1.146000000
   .4289000000
   .007829273100
   .045303579000
   .158005420000
   .353248220000
   .436176680000
   .161478360000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LIQR-1S
End of Spectral Representation Operator

/Na.ECP.Barandiaran.7s6p.1s2p.7e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic     core[Be] val[2p,3s]     (71/511*)=2s3p recommended
*NAQR-PS(7/51)
  7.000000         1

    7    1
   640.9552140
   95.79399140
   21.05670040
   1.718017750
   .5093566760
   .5872457940E-01
   .2335697130E-01
   .002058068120
   .013597902300
   .039341807500
  -.125480352000
  -.194733073000
   .637417525000
   .461033876000
    6    2
   76.24460880
   17.42422380
   5.216915340
   1.667316650
   .5135851080
   .6100000000E-01
   .015296254800   .000000000000
   .099086042700   .000000000000
   .311441145000   .000000000000
   .493636650000   .000000000000
   .325102587000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: NAQR-2S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   240800.0000
   27250.00000
   5002.000000
   1185.100000
   344.2000000
   115.0600000
   41.13000000
   9.040000000
   3.445000000
   1.424000000

   .007309110143
   .011252385714
   .022775591429
   .041713367143
   .073802637143
   .105501388571
   .074693505714
   .075286251429
   .124171395714
   .034922938571
M2
    0
COREREP
   1.0
PROJOP
    0
    8    2
  81.0947530      5.61062200
   1461.000000
   268.1000000
   75.49000000
   26.06000000
   9.980000000
   2.750000000
   1.077000000
   .4230000000
   .020217763000   .004836321000
   .100762990000   .026543056000
   .291326630000   .079898111000
   .453250580000   .176061270000
   .268682470000   .136272240000
   .022241853000  -.342088420000
  -.004158291100  -.591866250000
   .001333858500  -.215717650000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NAQR-2S
End of Spectral Representation Operator

/K.ECP.Barandiaran.9s7p.1s2p.7e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic     core[Mg] val[3p,4s]     (91/611*)=2s3p recommended
*KQR-PS(9/61)
  7.000000         1

    9    1
   2013.161710
   299.7378560
   66.98019730
   6.553351740
   3.421566350
   .6874970390
   .2449214330
   .3941878210E-01
   .1698987020E-01
  -.001038228080
  -.006884314010
  -.020406943300
   .066040876000
   .061447358200
  -.201753280000
  -.263512742000
   .672090263000
   .465706258000
    7    2
   126.6177120
   28.88193880
   8.349802690
   1.030007410
   .4042760550
   .1595598330
   .3900000000E-01
  -.017061864400   .000000000000
  -.096307631100   .000000000000
  -.208618293000   .000000000000
   .465866875000   .000000000000
   .499025679000   .000000000000
   .150293586000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: KQR-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   268000.0000
   30890.00000
   5966.000000
   1455.600000
   425.5000000
   138.1700000
   41.30000000
   16.07200000
   6.667000000
   1.644900000
   .7321700000

   .019215061429
   .028885224286
   .056560330000
   .105893171429
   .169312028571
   .184149571429
   .281210771429
   .483074342857
   .166108885714
   .166266000000
   .053610325714
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  268.412230      29.2133530      3.52244530
   4645.000000
   829.0000000
   229.5000000
   79.02000000
   30.84000000
   8.622000000
   3.538000000
   1.085000000
   .5182000000
   .2212000000
   .020273327000   .005710558700   .001902326200
   .101681840000   .032077171000   .010542130000
   .298470800000   .097593141000   .032983185000
   .452495270000   .217020950000   .074265408000
   .261167900000   .140834470000   .053137372000
   .022845896000  -.508446430000  -.240793860000
  -.006621942100  -.588567240000  -.451585820000
   .003139822400  -.067481045000   .270327760000
  -.001902627600   .015034550000   .707105120000
   .000616790990  -.003633247900   .251671240000
    8    1
  23.0617280
   192.4000000
   48.78000000
   16.64000000
   6.421000000
   2.663000000
   1.030000000
   .4070000000
   .1579000000
   .028338344000
   .146295140000
   .370334030000
   .455394640000
   .189539310000
   .011793632000
   .000277805700
  -.000104475870
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
KQR-3S
End of Spectral Representation Operator

/Rb.ECP.Barandiaran.11s9p6d.1s2p1d.7e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic     core[Zn] val[4p,5s]     (11,1/811*/6o)=2s3p1d recommended
*
* - (6o) d orthogonality function is the 3d core orbital
*
*RBQR-PS(A1/81/6)
  7.000000         2

   11    1
   10154.88180
   1385.337610
   294.0956470
   29.34236590
   15.15822680
   5.506955490
   2.820692000
   .5173471450
   .1978159400
   .3544276540E-01
   .1553598510E-01
   .000470503012
   .003250536850
   .010494762400
  -.041146426500
  -.022850526500
   .045875917500
   .133107047000
  -.245250021000
  -.279126583000
   .686498234000
   .468779484000
    9    2
   685.6322780
   157.2830260
   47.96303230
   6.802958500
   3.063761130
   .8349160300
   .3608695290
   .1438744650
   .3400000000E-01
   .005361643440   .000000000000
   .033995362600   .000000000000
   .084673550000   .000000000000
  -.205755459000   .000000000000
  -.195621803000   .000000000000
   .368835926000   .000000000000
   .564942258000   .000000000000
   .218642934000   .000000000000
   .000000000000  1.000000000000
    6    1
   159.2000000
   47.79000000
   17.62000000
   6.987000000
   2.809000000
   1.060000000
   .013946015000
   .085850180000
   .268549880000
   .438837880000
   .368847790000
   .104641590000
*
* Core AIMP: RBQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   325900.0000
   43730.00000
   9431.000000
   2524.000000
   777.1000000
   234.9000000
   86.96000000
   32.90000000
   11.13000000
   5.091000000
   1.437000000
   .6211000000

   .045848824286
   .061797052857
   .116884460000
   .202075500000
   .272620000000
   .382055657143
   .703247528571
   .386323542857
  1.119709128571
   .712753585714
   .212841171429
   .069557831429
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1124.95200      155.108170      25.1279230      3.13270010
   21340.00000
   3532.000000
   936.3000000
   315.1000000
   123.6400000
   39.43000000
   17.07000000
   5.507000000
   2.539000000
   .8410000000
   .4280000000
   .1860000000
   .021065861000   .006845774500   .002853739900   .000974208470
   .102274340000   .036370709000   .014589882000   .004898538400
   .301930290000   .113573610000   .048271231000   .016525193000
   .456634930000   .244861250000   .103049740000   .034826576000
   .256225520000   .144301770000   .072841601000   .025918287000
   .021424456000  -.531494920000  -.364884720000  -.135226390000
  -.008033194100  -.578807400000  -.516849780000  -.199844880000
   .003021691200  -.070039419000   .569240170000   .284561880000
  -.000442908480   .017014714000   .681506410000   .576381960000
   .000914426700  -.007627384700   .064252181000  -.233086480000
  -.000954856800   .004546873600  -.013372752000  -.763322950000
   .000039891688  -.001212189100   .002706345000  -.276314890000
   10    2
  137.156980      19.1738170
   830.8000000
   209.4000000
   72.01000000
   28.56000000
   11.70000000
   5.139000000
   2.286000000
   .8212000000
   .3359000000
   .1320000000
   .030823158000   .012991573000
   .163615720000   .071633154000
   .411310090000   .194352810000
   .445687080000   .206671540000
   .133848830000  -.197454270000
  -.000401286860  -.574797310000
   .002634989000  -.350951260000
  -.000948753600  -.033342532000
   .000706663260   .003722425300
  -.000099406195  -.000937229130
    6    1
  9.29077160
   159.2000000
   47.79000000
   17.62000000
   6.987000000
   2.809000000
   1.060000000
   .013946015000
   .085850180000
   .268549880000
   .438837880000
   .368847790000
   .104641590000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RBQR-3D
End of Spectral Representation Operator

/Cs.ECP.Barandiaran.13s11p8d.1s2p1d.7e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic     core[Cd] val[5p,6s]     (13,1,1/10,11*/8o)=3s3p1d recommended
*
* - (8o) d orthogonality function is the 4d core orbital
*
*CSQR-PS(A3/A01/8)
  7.000000         2

   13    1
   33271.63450
   3972.519240
   773.7478190
   69.94397510
   37.51714220
   13.53223390
   7.701665290
   3.563554170
   1.557904520
   .5031288140
   .1860020700
   .2674560640E-01
   .1199656410E-01
  -.000274038147
  -.001914711580
  -.006524116450
   .030320373900
   .009934508750
  -.055691120700
  -.083666511400
   .096031783500
   .204409035000
  -.208369281000
  -.399938980000
   .812495004000
   .342328395000
   11    2
   1842.957990
   414.9763140
   126.7203360
   18.14925200
   7.061743230
   4.117350350
   1.682597990
   .8163333250
   .3193665280
   .1246017450
   .2600000000E-01
  -.002816245230   .000000000000
  -.018406046300   .000000000000
  -.049138483600   .000000000000
   .163273802000   .000000000000
   .121630592000   .000000000000
  -.306620039000   .000000000000
  -.373129394000   .000000000000
   .257129375000   .000000000000
   .680283968000   .000000000000
   .304439365000   .000000000000
   .000000000000  1.000000000000
    8    1
   318.9000000
   98.00000000
   38.15000000
   16.32000000
   7.318000000
   3.270000000
   1.437000000
   .5790000000
   .011677473000
   .065751032000
   .165085610000
   .183125590000
  -.125000410000
  -.509803050000
  -.430204990000
  -.101530000000
*
* Core AIMP: CSQR-4D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   325700.0000
   43280.00000
   9497.000000
   2560.000000
   715.4000000
   236.9000000
   82.06000000
   29.93000000
   9.054000000
   4.194000000
   1.723000000
   .6438000000
   .2734000000

   .082355364286
   .112017545714
   .207448414286
   .321045042857
   .443537314286
   .853245071429
   .559739214286
  1.780744000000
   .277259457143
  1.585269714286
   .455462714286
   .171704742857
   .007314216571
M2
    0
COREREP
   1.0
PROJOP
    2
   15    5
  2663.20410      425.434680      91.6833570      18.6742230      2.61902420
   118600.0000
   17060.00000
   4181.000000
   1325.000000
   490.7000000
   194.5000000
   87.45000000
   40.65000000
   15.96000000
   8.184000000
   3.292000000
   1.647000000
   .3153000000
   .5969000000
   .1420000000
   .012621619000   .004576402200   .002051392200   .000952253650   .000361200150
   .056924029000   .021034047000   .009653687400   .004421885800   .001646662400
   .181773510000   .071851583000   .032600397000   .015186207000   .005768522800
   .382362470000   .174427350000   .083021405000   .038242470000   .014232295000
   .409335000000   .255652440000   .123950330000   .059167248000   .022758166000
   .128929700000  -.003818388500  -.001276553800  -.003372900800  -.002344550200
  -.010340961000  -.572211930000  -.474552940000  -.243090480000  -.091721669000
  -.002241837400  -.498848090000  -.512312510000  -.303153560000  -.123136630000
  -.000003993615  -.067140784000   .590297750000   .515950270000   .229041540000
   .005652005300   .015560511000   .708418620000   .846083320000   .381581130000
  -.001821302500  -.005621987800   .084815737000  -.623995550000  -.380026440000
  -.001171755300   .001974088600  -.012332530000  -.808692290000  -.753721230000
   .000679304950   .001175125200  -.002540714000   .014262029000   .822725370000
  -.000262818470  -.001458640000   .004765545400  -.075040308000   .242293140000
   .000115653460  -.000120022060   .000643242240  -.002667787000   .278135670000
   12    3
  381.533470      77.1651240      13.8239540
   2307.000000
   571.4000000
   195.8000000
   77.88000000
   32.26000000
   14.73000000
   6.940000000
   3.163000000
   1.463000000
   .5409000000
   .2315000000
   .9420000000E-01
   .026545610000   .012866802000   .005892672300
   .143160280000   .072016856000   .032349524000
   .384533840000   .208447810000   .097511233000
   .464836240000   .250563360000   .112228090000
   .164887380000  -.191279900000  -.126314460000
  -.004398349000  -.635516960000  -.469026030000
   .004380702300  -.295300080000  -.051905326000
  -.001962830000  -.020386048000   .673155180000
   .002045358300  -.000683111960   .451813610000
  -.000740559590   .000175120150   .040697238000
   .000027926822  -.000321349960  -.004277866300
  -.000156973110  -.000006370323   .001029175600
    8    2
  55.7337310      6.50880720
   318.9000000
   98.00000000
   38.15000000
   16.32000000
   7.318000000
   3.270000000
   1.437000000
   .5790000000
   .027006570000   .011677473000
   .146438600000   .065751032000
   .371223660000   .165085610000
   .456437020000   .183125590000
   .206799840000  -.125000410000
   .020393308000  -.509803050000
   .000290417260  -.430204990000
  -.000249643630  -.101530000000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CSQR-4D
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.1.2. Alkaline Earth Elements
********************************************************************************
*
/Be.ECP.Barandiaran.5s1p.1s1p.2e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic     core[He] val[2s]     (51/1*)=2s1p recommended
*BEQR-S(5/1)
  2.000000         1

    5    1
   65.33347160
   9.754683470
   2.006058220
   .1508886280
   .5132479950E-01
  -.013105905200
  -.078786664800
  -.209306256000
   .623874541000
   .462382597000
    1    1
   .1640000000
  1.000000000000
*
* Core AIMP: BEQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    8
   164400.0000
   13160.00000
   1894.000000
   360.9000000
   86.20000000
   24.96000000
   8.410000000
   3.120000000

   .009880457000
   .019210281000
   .042901060000
   .087450755000
   .167392045000
   .285949600000
   .299390155000
   .087825645000
M2
    0
COREREP
   1.0
PROJOP
    0
    6    1
  9.46706060
   264.2000000
   48.83000000
   13.79000000
   4.736000000
   1.824000000
   .7360000000
   .012720080000
   .065289875000
   .200380570000
   .383441840000
   .384956040000
   .110604310000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BEQR-1S
End of Spectral Representation Operator

/Mg.ECP.Barandiaran.7s6p1d.1s2p1d.8e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic     core[Be] val[2p,3s]     (71/511*/1*)=2s3p1d recommended
*
* - d polarization function for Mg(++) included
*
*MGQR-PS(7/51/1)
  8.000000         2

    7    1
   749.4905430
   112.7075810
   25.03598410
   2.215207800
   .7919211260
   .1082859700
   .3934098990E-01
   .002822380390
   .018463723200
   .052807826000
  -.156159185000
  -.231442398000
   .617695612000
   .504658672000
    6    2
   97.67521490
   22.46622510
   6.800248430
   2.221767170
   .7133720410
   .1010000000
   .014716371300   .000000000000
   .096582975600   .000000000000
   .309553043000   .000000000000
   .499207374000   .000000000000
   .312472372000   .000000000000
   .000000000000  1.000000000000
    1    1
   3.444000000
  1.000000000000
*
* Core AIMP: MGQR-2S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   264900.0000
   30630.00000
   5597.000000
   1303.600000
   371.7000000
   123.3700000
   44.02000000
   10.12500000
   4.116000000
   1.799000000

   .006654068375
   .010180315125
   .020904346250
   .039021251250
   .069510491250
   .094273611250
   .058209160000
   .070724320000
   .104196217500
   .026326217500
M2
    0
COREREP
   1.0
PROJOP
    0
    8    2
  98.2606260      7.56027840
   1904.000000
   345.5000000
   96.13000000
   32.80000000
   12.43200000
   3.424000000
   1.383000000
   .5616000000
   .018328753000   .004534055400
   .093330879000   .025395320000
   .279340860000   .078901697000
   .454710140000   .179535480000
   .285719650000   .149660240000
   .025819724000  -.337746280000
  -.005407629400  -.601641570000
   .001617642800  -.209552930000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MGQR-2S
End of Spectral Representation Operator

/Ca.ECP.Barandiaran.9s7p5d.1s2p3d.8e-CG-AIMP.
Z.Barandiaran, L.Seijo, Can.J.Chem.70(1992)409. (d set: L.G.M.Pettersson, et al.
relativistic Chem.Phys.82(1983)355) core[Mg] val[3p,4s] (91/611*/311)=2s3p3d recomm.
*
* - d set from
*   L.G.M.Pettersson, P.E.M.Siegbahn, and S.Ismail, Chem.Phys. 82(1983)355.
*
*CAQR-PS(9/61/311)             (81/511/311)
  8.000000         2

    9    1
   2307.472830
   339.7782500
   75.27504150
   7.127905850
   3.327224120
   .9694450400
   .4018272450
   .6283087370E-01
   .2518110180E-01
  -.001325866600
  -.008933587540
  -.026960551500
   .102469954000
   .077037190300
  -.204180745000
  -.352158018000
   .702263064000
   .454948233000
    7    2
   145.0132010
   33.17408270
   9.668298250
   1.216236070
   .4862043050
   .1917624550
   .5900000000E-01
  -.017810797900   .000000000000
  -.101606111000   .000000000000
  -.223228048000   .000000000000
   .498411463000   .000000000000
   .493766014000   .000000000000
   .113613863000   .000000000000
   .000000000000  1.000000000000
    5    3
   7.455000000
   1.866000000
   .5450000000
   .1677000000
   .5890000000E-01
   .062760000000   .000000000000   .000000000000
   .241760000000   .000000000000   .000000000000
   .410790000000   .000000000000   .000000000000
   .000000000000  1.000000000000   .000000000000
   .000000000000   .000000000000  1.000000000000
*
* Core AIMP: CAQR-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   249400.0000
   29490.00000
   5821.000000
   1453.600000
   434.8000000
   141.4600000
   41.98000000
   16.44600000
   6.085000000
   1.809000000
   .8501000000

   .018389275000
   .027143121250
   .052656742500
   .096941850000
   .151153750000
   .162594675000
   .275278575000
   .427729500000
   .106232441250
   .147057050000
   .034823017500
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  300.393690      33.9409120      4.52407220
   4675.000000
   833.0000000
   231.5000000
   80.52000000
   32.04000000
   9.602000000
   3.988000000
   1.255000000
   .6102000000
   .2712000000
   .022956501000   .006605525600   .002311143500
   .113826570000   .036273117000   .012439526000
   .321025140000   .108632320000   .038659981000
   .450210740000   .225890360000   .080889684000
   .229266800000   .120955910000   .049445451000
   .018168922000  -.520284780000  -.264988090000
  -.004875020500  -.577981050000  -.467676160000
   .002219988500  -.066900123000   .307685490000
  -.001285989100   .014734763000   .718231790000
   .000463608330  -.003551512300   .218234480000
    8    1
  27.2910470
   246.0000000
   62.10000000
   21.16000000
   8.190000000
   3.430000000
   1.312000000
   .5287000000
   .2057000000
   .023245945000
   .125845540000
   .341691520000
   .461128790000
   .228384930000
   .020132687000
  -.000834760850
   .000148268950
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CAQR-3S
End of Spectral Representation Operator

/Sr.ECP.Barandiaran.11s9p6d.1s2p1d.8e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic    core[Zn] val[4p,5s]  (11,11/811*/611)=3s3p3d recommended
*
* - d function optimized in  Sr(+) (4d1-2D), from
*   L.Seijo, Z.Barandiaran, and S.Huzinaga,  J.Chem.Phys. 94(1991)3762.
*
*SRQR-PSD(A1/81/6)
  8.000000         2

   11    1
   10928.35190
   1484.034840
   313.8002960
   30.28726000
   13.31066260
   5.370641680
   2.692043730
   .7000785550
   .3156008880
   .5368972460E-01
   .2213369320E-01
   .000609661435
   .004203693180
   .013678844800
  -.059911742500
  -.028142695000
   .099013650100
   .154750628000
  -.241873059000
  -.386752203000
   .724809989000
   .451875073000
    9    2
   725.8649640
   166.5881340
   50.93478560
   7.439019040
   3.518415270
   .8869313480
   .3920870830
   .1599158180
   .4800000000E-01
   .005868559090   .000000000000
   .037142520300   .000000000000
   .092173843800   .000000000000
  -.213548191000   .000000000000
  -.212545982000   .000000000000
   .440939801000   .000000000000
   .548839351000   .000000000000
   .153148997000   .000000000000
   .000000000000  1.000000000000
    6    1
   72.22693400
   20.13724080
   6.506741320
   .7098328640
   .2209876110
   .6920040500E-01
  -.010763751800
  -.050485078600
  -.086776266900
   .259639551000
   .500994036000
   .472896304000
*
* Core AIMP: SRQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   325499.2800
   44971.53200
   9865.981700
   2650.372400
   814.5972400
   244.5292100
   89.67440900
   31.45465200
   11.12340800
   4.967020600
   1.420026500
   .6673600000

   .041228280000
   .054407925000
   .102720798750
   .178305012500
   .240777937500
   .344792975000
   .633405687500
   .357066287500
  1.063831837500
   .512818787500
   .181798275000
   .038846201250
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1192.01090      166.409520      27.9291220      3.89814980
   20388.12700
   3353.960200
   894.7924900
   305.0400300
   121.2859500
   42.51764600
   18.60512900
   6.611824500
   3.143684700
   1.301090300
   .5892180800
   .2500000000
   .023942579000   .007924763400   .003286036900   .001189750400
   .115323290000   .040969336000   .016808645000   .005886622500
   .324427200000   .126047240000   .053478813000   .019442781000
   .455010130000   .249721900000   .108259690000   .037990799000
   .223951450000   .126381700000   .062763472000   .024776816000
   .015219441000  -.519374790000  -.350876690000  -.139531250000
  -.005698038200  -.582583040000  -.544360350000  -.217623140000
   .001697229700  -.081390778000   .429973880000   .206219860000
   .000471029250   .016479256000   .766331480000   .652746650000
   .000651920680  -.006568269800   .120031290000   .009770927400
  -.000667626440   .002721915400  -.006054601300  -.879233840000
  -.000114690850  -.000799220840   .001768062800  -.366745830000
   10    2
  147.513670      21.6259280
   852.8532600
   210.4355700
   71.81539500
   28.26563000
   11.67008900
   4.879968900
   2.046044000
   .8582036000
   .3599840100
   .1510000000
   .033213131000   .014117549000
   .176981130000   .078917574000
   .433507950000   .207692340000
   .431573290000   .198735800000
   .109314730000  -.263074490000
   .001217947600  -.628133310000
   .000889906590  -.262220840000
  -.000285965630  -.004846138900
   .000401445550  -.003969321600
  -.000012827202   .001234100500
    6    1
  11.1862840
   156.2784400
   47.29454700
   17.82072700
   7.247700400
   2.999000000
   1.170000000
   .016664724000
   .096997686000
   .281434450000
   .436127770000
   .349463530000
   .093812749000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SRQR-3D
End of Spectral Representation Operator

/Ba.ECP.Barandiaran.13s11p8d.1s2p1d.8e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Cd] val[5p,6s]     (13,1,1/10,11*/811)=3s3p3d recommended
*
* - d function optimized in  Ba(+) (5d1-2D), from
*   L.Seijo, Z.Barandiaran, and S.Huzinaga,  J.Chem.Phys. 94(1991)3762.
*
*BAQR-PSD(A3/A01/8)
  8.000000         2

   13    1
   35417.37680
   4192.219300
   808.9146210
   73.87028010
   38.38448340
   13.87961220
   7.967852160
   3.342452090
   1.587437920
   .6533790930
   .2627795000
   .4144774090E-01
   .1772239620E-01
  -.000352292831
  -.002461917360
  -.008452350770
   .038200991700
   .015000538700
  -.084592809300
  -.088895870200
   .142419284000
   .260592997000
  -.218397120000
  -.532738967000
   .792134489000
   .397107621000
   11    2
   1920.114130
   431.6637820
   131.8425220
   19.51115000
   9.920072500
   3.908362980
   1.975582590
   .6148240940
   .2939803270
   .1235156170
   .3700000000E-01
  -.003076319350   .000000000000
  -.020091015000   .000000000000
  -.053467778500   .000000000000
   .162963716000   .000000000000
   .083880830800   .000000000000
  -.281479463000   .000000000000
  -.316534971000   .000000000000
   .416232548000   .000000000000
   .592858830000   .000000000000
   .169915680000   .000000000000
   .000000000000  1.000000000000
    8    1
   248.5095430
   71.77725600
   25.42475980
   4.623158800
   2.279952340
   .4233564860
   .1538814170
   .5595260560E-01
   .004414226870
   .024584745000
   .049767899000
  -.093324198300
  -.116871552000
   .304350789000
   .524914431000
   .364135032000
*
* Core AIMP: BAQR-4D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   411800.0000
   63780.00000
   15160.00000
   4301.000000
   1333.000000
   413.5000000
   167.0400000
   47.57700000
   26.40900000
   4.942800000
   2.046400000
   .6902800000

   .063081620000
   .076709061250
   .139998337500
   .229108112500
   .299665625000
   .530313375000
   .652893962500
   .809986800000
  1.099450887500
  1.439377375000
   .507670675000
   .151744137500
M2
    0
COREREP
   1.0
PROJOP
    2
   15    5
  2771.26810      445.887860      97.4266680      20.5315050      3.20852530
   137679.9100
   18460.22500
   4301.807600
   1325.408100
   476.7799600
   170.5674200
   79.45514800
   37.45382900
   15.56271700
   7.914510300
   3.412629100
   1.707615200
   .6993815400
   .3619401000
   .1680000000
   .011963253000   .004346785300   .001955246400   .000916886180   .000362661640
   .057439447000   .021350374000   .009832088100   .004549675800   .001782593900
   .189534780000   .075172707000   .034265852000   .016117530000   .006379470900
   .399666220000   .185290320000   .088574955000   .041253156000   .016177047000
   .414702860000   .261136730000   .127891820000   .061672643000   .024612510000
   .108983640000  -.085772907000  -.053659264000  -.030136914000  -.012759454000
  -.025327396000  -.630851840000  -.558400040000  -.292935370000  -.117359940000
   .004650117900  -.398437660000  -.396292790000  -.247039210000  -.105712440000
  -.002582652600  -.040857792000   .722577420000   .664999490000   .309224050000
   .007898679600   .009679346600   .602922580000   .752787320000   .362616820000
  -.003821093900  -.003952973500   .061252611000  -.720663930000  -.470605130000
  -.000149155270   .001003273800  -.006201651800  -.752764390000  -.779755800000
  -.000805285970  -.000998888470   .002523146100  -.064821796000   .265836640000
   .001053042500   .000888084100  -.001109929100   .005351643700   .873980810000
   .000046714738  -.000040438182   .000327563710  -.001102148800   .255828750000
   12    3
  399.777230      82.2365030      15.4151710
   2151.544500
   534.8108500
   184.3701100
   73.54107600
   29.72622500
   13.44822800
   5.838325400
   2.844450700
   1.351318000
   .5704155300
   .2537300000
   .1030000000
   .031562456000   .015502947000   .007122294800
   .164090380000   .082961670000   .038062331000
   .412537010000   .228284910000   .107598480000
   .449449090000   .228188120000   .103390360000
   .130708540000  -.291528530000  -.198754180000
  -.009557693900  -.656204570000  -.483356940000
   .005459128800  -.208620150000   .136209480000
  -.002729955000   .009876825900   .707301390000
   .002528584600  -.007358240700   .319493180000
  -.001193385900   .002927919300   .022070301000
   .000151160460  -.001533922400  -.000454591020
  -.000173517650   .000319935190  -.000014513855
    8    2
  60.0285540      7.71834220
   519.8681600
   155.0359500
   57.91687000
   23.84764600
   10.45089200
   4.401808000
   1.884200000
   .7516000000
   .011606550000   .004976470000
   .079697799000   .036802451000
   .276402970000   .125053920000
   .469868430000   .213999490000
   .331648530000   .020966451000
   .059838110000  -.459716100000
  -.001825824900  -.520050570000
   .000435668300  -.148467330000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BAQR-4D
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.1.3. Group IIIA Elements
********************************************************************************
*
/B.ECP.Barandiaran.5s5p1d.1s1p1d.3e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[He] val[2s,2p]     (51/511/1*)=2s3p1d recommended
*BQR-SP(5/5/1)
  3.000000         2

    5    1
   111.4944460
   16.69452780
   3.523454250
   .2746443050
   .9033312150E-01
  -.013370838100
  -.082956770100
  -.225415303000
   .628185390000
   .462856747000
    5    1
   12.64727830
   2.739889090
   .7797009330
   .2470830480
   .7892855460E-01
   .012276323100
   .075749775400
   .269126636000
   .504965329000
   .365414131000
    1    1
   .3880000000
  1.000000000000
*
* Core AIMP: BQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   144139.2300
   10515.80000
   1436.838900
   265.7522600
   62.59038000
   17.98736200
   5.952552400

   .009141357333
   .018793089000
   .042974810000
   .090529210000
   .177389583333
   .237125146667
   .090713466667
M2
    0
COREREP
   1.0
PROJOP
    0
    6    1
  15.3954280
   477.1000000
   87.19000000
   24.22000000
   8.152000000
   3.067000000
   1.196800000
   .010889908000
   .057606808000
   .187195770000
   .383330510000
   .403170110000
   .113553970000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BQR-1S
End of Spectral Representation Operator

/Al.ECP.Barandiaran.7s6p1d.1s1p1d.3e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*ALQR-SP(7/6/1)
  3.000000         2

    7    1
   888.6037070
   133.2577310
   29.61561960
   2.740999680
   1.090521690
   .1687539390
   .6132270470E-01
   .003482340740
   .022906301200
   .065814547500
  -.187330220000
  -.268919395000
   .666404600000
   .476224672000
    6    1
   41.06572930
   9.112372160
   2.401395570
   .2226037510
   .8323855470E-01
   .3279768230E-01
  -.013384536000
  -.065710812900
  -.121540414000
   .359686810000
   .532287748000
   .232912182000
    1    1
   .1980000000
  1.000000000000
*
* Core AIMP: ALQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   205916.3600
   19449.92300
   3326.649500
   768.5767000
   212.9386700
   64.89328300
   16.95387400
   5.790198600
   2.184734800

   .033301475000
   .057671120000
   .114951280000
   .219094720000
   .371334233333
   .417050433333
   .645665266667
  1.101695400000
   .372569433333
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  117.277770      9.85880440
   2322.000000
   419.8000000
   116.4300000
   39.60000000
   14.97000000
   4.203000000
   1.734000000
   .7157000000
   .017657933000   .004509604800
   .090372248000   .025236531000
   .273734730000   .079696655000
   .454387880000   .182946270000
   .293347570000   .158854240000
   .027945160000  -.331863140000
  -.005894880100  -.613108040000
   .001664452700  -.205128370000
    7    1
  6.43517810
   175.0000000
   44.97000000
   15.60000000
   6.186000000
   2.590000000
   1.111000000
   .4515000000
   .007623849700
   .044639168000
   .149684350000
   .308303210000
   .395962520000
   .271255650000
   .052311831000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ALQR-2P
End of Spectral Representation Operator

/Ga.ECP.Barandiaran.9s8p4d.1s1p2d.3e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*GAQR-SP(9/8/31)
  3.000000         2

    9    1
   6581.473590
   924.3611510
   198.9152290
   18.90924710
   7.237407000
   3.543254210
   1.375057870
   .1906600370
   .6856049180E-01
  -.001441532790
  -.009938166080
  -.031871967100
   .138582755000
   .083301748700
  -.209893339000
  -.351923409000
   .675768961000
   .471874117000
    8    1
   445.6297230
   102.6549610
   31.06769200
   4.222363720
   1.698388340
   .2816459450
   .1058302810
   .3879053220E-01
   .002800945110
   .017378210400
   .042200923300
  -.099560126400
  -.105810863000
   .264560451000
   .541465411000
   .336752081000
    4    2
   12.52500000
   2.995900000
   .7373500000
   .2070000000
   .329082367000   .000000000000
   .598933980000   .000000000000
   .376265166000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: GAQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   341600.0000
   49500.00000
   11130.00000
   3004.000000
   928.0000000
   295.1000000
   92.10000000
   36.82000000
   8.780000000
   3.500000000
   1.133000000

   .081074516667
   .102668253333
   .192295430000
   .343394866667
   .532781166667
   .648785266667
  1.273601233333
  1.369636233333
  1.907521366667
  2.368882633333
   .512692400000
M2
    0
COREREP
   1.0
PROJOP
    2
   10    3
  768.172380      98.6512820      13.1641490
   16840.00000
   2850.000000
   764.3000000
   256.1000000
   97.20000000
   28.10000000
   12.23000000
   4.416000000
   2.054000000
   .8710000000
   .016717604000   .005231033500   .002022612500
   .083505576000   .028645939000   .010952998000
   .259712490000   .092322634000   .036242396000
   .449044250000   .220091200000   .087968319000
   .317371910000   .191441200000   .083951981000
   .035773703000  -.466780640000  -.277952200000
  -.012936121000  -.617049950000  -.532974840000
   .005362470100  -.092050650000   .260393060000
  -.002349010800   .011205644000   .767081260000
   .000979770260  -.002799575300   .245488910000
    8    2
  85.5755520      9.05268610
   689.4000000
   175.0000000
   60.56000000
   24.09000000
   10.34000000
   4.252000000
   1.762000000
   .6970000000
   .021959934000   .008320048400
   .121257390000   .048865335000
   .340420490000   .141853250000
   .463188210000   .214010390000
   .221947730000  -.026166105000
   .020800956000  -.483144400000
   .000468339070  -.493906110000
   .000111902800  -.124534440000
    6    1
  2.33212570
   56.38000000
   16.64000000
   6.090000000
   2.331000000
   .8820000000
   .3121000000
   .035539124000
   .162792570000
   .349726350000
   .414606310000
   .293593230000
   .088530299000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GAQR-3D
End of Spectral Representation Operator

/In.ECP.Barandiaran.11s10p7d.1s1p2d.13e-CG-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
relativistic  core[Kr] val[4d,5s,5p]     (11,11/10,11/611*)=3s3p3d recommended
*INQR-DSP(A1/A0/61)
 13.000000         2

   11    1
   23244.88900
   2909.433160
   579.8814130
   53.64105670
   25.96878650
   11.24874630
   6.955323030
   1.824551980
   .9419217480
   .1557168310
   .5805207220E-01
   .000812717882
   .005682788230
   .019480289600
  -.088916149200
  -.033142589400
   .083206241500
   .252380382000
  -.290953733000
  -.389117118000
   .718382727000
   .462746192000
   10    1
   1348.565030
   306.3389330
   93.98500790
   14.72844410
   8.172783540
   2.415029460
   1.109799050
   .2040221810
   .8265884480E-01
   .3242488360E-01
  -.001564802990
  -.010085974400
  -.025834371200
   .059332302500
   .053951877300
  -.129722003000
  -.155996721000
   .300757405000
   .541988430000
   .295043526000
    7    2
   166.5884190
   47.64445480
   16.43132130
   2.494121960
   .9718853840
   .3444306180
   .1600000000
  -.018911115500   .000000000000
  -.100642064000   .000000000000
  -.194294050000   .000000000000
   .424381464000   .000000000000
   .510161834000   .000000000000
   .231743281000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: INQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   375600.0000
   60400.00000
   14770.00000
   4297.000000
   1389.000000
   435.5000000
   163.7000000
   57.27000000
   21.79000000
   9.778000000
   3.123000000
   1.465000000

   .032219528462
   .037930505385
   .068333183846
   .113930007692
   .154098092308
   .225866569231
   .411422630769
   .239343553846
   .808134692308
   .174863815385
   .411464569231
   .091623653846
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  2067.61600      316.259980      62.8643330      10.6214400
   74090.00000
   10960.00000
   2667.000000
   828.9000000
   296.3000000
   85.50000000
   38.43000000
   14.48000000
   7.520000000
   3.426000000
   1.570000000
   .6701000000
   .013567540000   .004670370100   .002058038100   .000894334950
   .065534622000   .024223885000   .010735194000   .004566575600
   .218911200000   .083250240000   .037233319000   .016205540000
   .437914780000   .213498460000   .098600710000   .042307603000
   .382649640000   .233651110000   .114800920000   .051318080000
   .058885678000  -.389357270000  -.276528080000  -.133527250000
  -.027624442000  -.660467050000  -.648557250000  -.325094870000
   .013790738000  -.140386530000   .207778540000   .123001000000
  -.007447769800   .030266804000   .889190030000   .913958140000
   .006091381700  -.010359201000   .206873580000   .049226081000
  -.003434084100   .003439880100  -.001185336700  -.984228760000
   .000194302660  -.001095535000   .001711847500  -.351389630000
    9    3
  283.575310      51.8541860      7.16348410
   1383.000000
   344.9000000
   118.0000000
   46.68000000
   17.56000000
   7.670000000
   2.988000000
   1.321000000
   .5304000000
   .038077031000   .018278186000   .007474989400
   .195961890000   .094655267000   .039355776000
   .454450460000   .248840490000   .104570750000
   .416870460000   .168355920000   .066820899000
   .085210314000  -.442549750000  -.266591450000
  -.010410794000  -.601946490000  -.370761910000
   .004251563000  -.107348460000   .377368480000
  -.001451351300   .008442792600   .653445580000
   .000727718040  -.002356264400   .184388080000
    7    1
  34.7396950
   133.8000000
   39.89000000
   14.69000000
   5.934000000
   2.218000000
   .8270000000
   .2867000000
   .077092758000
   .319643400000
   .514845300000
   .293139010000
   .032332517000
  -.001417962200
   .000305175250
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
INQR-4P
End of Spectral Representation Operator

/Tl.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.13e-CG-AIMP.
Z.Barandiaran, L.Seijo, J.Chem.Phys. 101(1994)4049; L.S. JCP 102(1995)8078.
relativistic core[Xe,4f] val[5d,6s,6p]SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L.Seijo, JCP 102(1995)8078.
*
* - (5o) f orthogonality function is the 4f core orbital
*
*TLQR-DSP(A3/A2/71/5)-SO
 13.000000         3

   13    1
   1144962.080
   87806.77260
   11821.47400
   2199.890280
   186.4297780
   87.72628340
   35.04831720
   26.33838020
   6.565044430
   3.656145260
   1.222974550
   .1628031230
   .6043693970E-01
  -.000118851789
  -.000804398458
  -.004115028820
  -.012604833600
   .059750690600
   .017674271600
  -.163283910000
  -.046742272800
   .490380435000
  -.107318849000
  -.707888906000
   .785686366000
   .399023479000
   12    1
   5228.566830
   1117.042880
   330.9641370
   49.16731550
   20.92922770
   14.30384230
   7.321308240
   1.893806340
   .9174346070
   .2080897430
   .8213663300E-01
   .3120816120E-01
   .000648105463
   .005770771490
   .016037268500
  -.052108058000
  -.033562029300
   .063321180400
   .108153525000
  -.169540049000
  -.150705238000
   .270229133000
   .549290205000
   .330372511000
    8    2
   685.8807200
   198.2369900
   71.91678560
   15.67158210
   9.144742130
   1.478193360
   .4616195670
   .1460000000
   .006903196360   .000000000000
   .041583484200   .000000000000
   .092304786800   .000000000000
  -.101348386000   .000000000000
  -.219461792000   .000000000000
   .607830947000   .000000000000
   .523404512000   .000000000000
   .000000000000  1.000000000000
    5    1
   94.24000000
   31.04000000
   12.05000000
   4.799000000
   1.772000000
   .071224319000
   .282306710000
   .471427870000
   .382777210000
   .117101190000
*
* Core AIMP: TLQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   3859400.000
   503980.0000
   106487.0000
   27862.00000
   8464.100000
   2759.200000
   935.7800000
   395.0900000
   121.0030000
   70.93600000
   15.82900000
   7.400600000
   2.777900000
   1.299000000

   .023274230769
   .031877792308
   .059633770769
   .103707046154
   .157232207692
   .206489707692
   .371377953846
   .420555215385
   .615908107692
   .703826576923
  1.386965076923
   .557556192308
   .501747600000
   .090617753846
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  6347.29080      1141.96020      277.681160      64.7781660      11.2629700
   1074700.000
   123200.0000
   25090.00000
   6863.000000
   2265.000000
   851.6000000
   288.5000000
   127.6000000
   47.85000000
   25.69000000
   10.54000000
   5.598000000
   2.224000000
   1.185000000
   .5425000000
   .009553632100   .003882279800   .001862526500   .000938924610   .000416307570
   .034783533000   .014249577000   .006924361200   .003471401300   .001535465700
   .105370470000   .045991010000   .022270567000   .011273847000   .005004918400
   .259245990000   .117699860000   .058383196000   .029372464000   .013000843000
   .422292240000   .232413150000   .117037040000   .059995803000   .026726625000
   .328230840000   .170110330000   .088780891000   .044508889000   .019641339000
   .044126305000  -.420263110000  -.355413610000  -.202064500000  -.092090779000
  -.032855309000  -.645203450000  -.669362510000  -.423102340000  -.199095830000
   .011552384000  -.129003070000   .427003660000   .465358100000   .249729540000
   .007050150300   .041461879000   .824841710000  1.009161800000   .561772520000
   .001362716200  -.015645824000   .129898780000  -.569170870000  -.477447080000
  -.008336465800   .005044108300  -.025007276000  -.885446630000 -1.000878600000
   .001811373100  -.003880065600   .008386778500  -.091723752000   .461884340000
   .000934472360   .003353710200  -.003526190900   .014342761000   .854039310000
   .000503095350  -.000321088630   .001019992400  -.002414580800   .178973180000
   12    4
  986.026540      231.929760      49.4743110      6.89519020
   7743.000000
   1829.000000
   613.5000000
   243.8000000
   107.0200000
   48.94000000
   23.88000000
   10.88500000
   5.280000000
   2.188000000
   .9967000000
   .4073000000
   .019982933000   .010526717000   .005356548300   .002187848700
   .106401890000   .058553117000   .029400188000   .012239408000
   .314688200000   .180927160000   .093904699000   .038626426000
   .467643730000   .285041710000   .145569530000   .061265354000
   .255373260000  -.024881961000  -.041493116000  -.022597411000
   .021429534000  -.590560270000  -.497429140000  -.225274260000
  -.003810397600  -.429373240000  -.226719290000  -.094574719000
   .001936020200  -.056526195000   .640267310000   .441043710000
   .002973372300   .004645139300   .536388830000   .340584580000
  -.000790608160  -.001639557100   .059610838000  -.541272420000
  -.000854597700  -.000183104750  -.004707725600  -.595022190000
  -.000206733150  -.000271708240   .000939625770  -.119345970000
   10    2
  182.555450      30.8278030
   638.8000000
   194.8000000
   75.86000000
   33.02000000
   14.20400000
   6.341000000
   2.703000000
   1.177200000
   .4830000000
   .1833000000
   .044034627000   .023791698000
   .222177180000   .120020690000
   .468566890000   .257251580000
   .391446870000   .080976949000
   .087812967000  -.464697810000
  -.002613667700  -.533099050000
   .001879114600  -.133976170000
  -.000569963450   .000846096550
   .000630230480  -.001911616500
  -.000041753855   .000626294690
    5    1
  10.2063050
   94.24000000
   31.04000000
   12.05000000
   4.799000000
   1.772000000
   .071224319000
   .282306710000
   .471427870000
   .382777210000
   .117101190000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TLQR-4F
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.1.4. Group IVA Elements
********************************************************************************
*
/C.ECP.Barandiaran.5s5p1d.1s1p1d.4e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic   core[He] val[2s,2p]     (51/511/1*)=2s3p1d recommended
*CQR-SP(5/5/1)
  4.000000         2

    5    1
   168.9649020
   25.34283620
   5.431528900
   .4296700470
   .1381948980
  -.013485953900
  -.085133513900
  -.233829600000
   .628321954000
   .465319579000
    5    1
   19.09624880
   4.215479150
   1.222382510
   .3891135080
   .1223830760
   .013661995600
   .085034378100
   .286542592000
   .501518674000
   .348448489000
    1    1
   .6000000000
  1.000000000000
*
* Core AIMP: CQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   161533.6600
   13121.77500
   1912.780100
   368.4186500
   88.94877000
   25.97955300
   8.688237000

   .007649341500
   .014727541500
   .032968900000
   .068696430000
   .133643560000
   .176419957500
   .065894267500
M2
    0
COREREP
   1.0
PROJOP
    0
    6    1
  22.6616510
   674.8000000
   123.2400000
   34.26000000
   11.55900000
   4.357000000
   1.681000000
   .011290567000
   .059636137000
   .193411870000
   .392405120000
   .396898340000
   .101303270000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CQR-1S
End of Spectral Representation Operator

/Si.ECP.Barandiaran.7s6p1d.1s1p1d.4e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic   core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*SIQR-SP(7/6/1)
  4.000000         2

    7    1
   1055.889130
   157.3502080
   34.86559140
   3.252202660
   1.387601380
   .2368800090
   .8612616510E-01
   .003898070880
   .025925664400
   .075431476400
  -.218190728000
  -.284020803000
   .683130784000
   .474355167000
    6    1
   52.21744150
   11.68643360
   3.164869580
   .3203555980
   .1221639130
   .4839314920E-01
  -.014789157700
  -.075245251000
  -.144739717000
   .396632008000
   .521879992000
   .202932775000
    1    1
   .2620000000
  1.000000000000
*
* Core AIMP: SIQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   221861.0500
   21997.70400
   3873.901100
   909.9335000
   255.0786900
   78.76908100
   20.99164500
   7.251562600
   2.806394000

   .025994322500
   .043578495000
   .086139492500
   .163100180000
   .276268250000
   .315025600000
   .474467025000
   .830475750000
   .284950875000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  138.000920      12.3673490
   2429.000000
   441.3000000
   123.6000000
   42.63000000
   16.44000000
   4.673000000
   1.927000000
   .8050000000
   .020149137000   .005265531600
   .100814330000   .029069187000
   .293554490000   .088473239000
   .453660460000   .195308410000
   .265313980000   .142808080000
   .022842326000  -.392322340000
  -.004813648300  -.605240690000
   .001311048900  -.152703920000
    7    1
  8.51197160
   225.0000000
   57.72000000
   20.00000000
   7.937000000
   3.338000000
   1.445000000
   .5939000000
   .006798700400
   .040822083000
   .141435620000
   .303132380000
   .401870790000
   .276241460000
   .052003176000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SIQR-2P
End of Spectral Representation Operator

/Ge.ECP.Barandiaran.9s8p4d.1s1p2d.4e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic   core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*GEQR-SP(9/8/31)               (711/611/31)
  4.000000         2

    9    1
   7127.446430
   995.6178140
   213.6175420
   20.31471090
   7.689048090
   3.940243590
   1.567334370
   .2381511750
   .8734772450E-01
  -.001603053140
  -.011071868200
  -.035620295800
   .155583606000
   .097228869400
  -.229448849000
  -.399504061000
   .707240034000
   .458202986000
    8    1
   478.7818500
   110.2344340
   33.47515780
   4.635531920
   1.908468840
   .3540216810
   .1411406850
   .5374200220E-01
   .00344422172
   .0213935244
   .0518193176
  -.121110294
  -.130449561
   .301964451
   .545878461
   .290615066
    4    2
   14.69800000
   3.600000000
   .9261600000
   .2460000000
   .314046530000   .000000000000
   .599767940000   .000000000000
   .377137580000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: GEQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   333700.0000
   50310.00000
   11720.00000
   3255.000000
   1024.800000
   334.3000000
   105.0000000
   41.97000000
   10.26000000
   4.168000000
   1.443000000

   .063534450000
   .077831837500
   .142870917500
   .252984325000
   .391596850000
   .476029525000
   .914588550000
  1.075290675000
  1.323424750000
  1.871207650000
   .410640450000
M2
    0
COREREP
   1.0
PROJOP
    2
   10    3
  822.513670      106.958150      14.8144630
   18550.00000
   3120.000000
   833.3000000
   278.2000000
   105.2000000
   30.51000000
   13.35000000
   4.939000000
   2.301000000
   .9830000000
   .016386855000   .005163940400   .002012619300
   .081822122000   .028169405000   .010906971000
   .255927130000   .091402586000   .036174550000
   .448310480000   .219073120000   .088661934000
   .322919060000   .196170670000   .086465863000
   .037546063000  -.456146330000  -.273664240000
  -.013830694000  -.621898300000  -.542951290000
   .005729618100  -.098076420000   .230504900000
  -.002451776000   .010539366000   .785330350000
   .001048664900  -.002636182300   .256059880000
    8    2
  93.1534840      10.4229190
   768.7000000
   194.9000000
   67.43000000
   26.85000000
   11.56000000
   4.762000000
   1.994000000
   .8020000000
   .020700823000   .007957590700
   .115495520000   .047222411000
   .330635800000   .139661430000
   .463452610000   .217473880000
   .234712800000  -.010916368000
   .024342498000  -.475549860000
   .000195697080  -.503966850000
   .000155522370  -.127598010000
    6    1
  3.19980580
   66.26000000
   19.71000000
   7.290000000
   2.841000000
   1.103000000
   .4000000000
   .032013603000
   .151747490000
   .340990590000
   .419796370000
   .298489760000
   .084600467000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GEQR-3D
End of Spectral Representation Operator

/Sn.ECP.Barandiaran.11s10p7d.1s1p2d.14e-CG-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
relativistic   core[Kr] val[4d,5s,5p]     (11,11/10,11/611*)=3s3p3d recommended
*SNQR-DSP(A1/A0/61)
 14.000000         2

   11    1
   24819.37460
   3081.574760
   610.7314760
   55.48786640
   19.47262160
   13.22570590
   6.611663530
   2.260494550
   1.098634240
   .1880201820
   .7186670820E-01
   .000889804304
   .006226291830
   .021425863700
  -.102924873000
  -.092132481800
   .186455594000
   .267777776000
  -.265722096000
  -.504609006000
   .751811788000
   .450515900000
   10    1
   1430.987010
   324.5608810
   99.52980530
   14.57414790
   6.692916540
   2.948238220
   1.287851320
   .2434437420
   .1044295120
   .4286261740E-01
  -.001851118230
  -.011972703800
  -.031043291900
   .090843814400
   .061486951800
  -.147162802000
  -.209707401000
   .353041704000
   .537332343000
   .244212354000
    7    2
   176.9807180
   50.66662760
   17.52906440
   2.707543740
   1.079208610
   .3958115240
   .1830000000
  -.019474093000   .000000000000
  -.104439925000   .000000000000
  -.203049133000   .000000000000
   .435031127000   .000000000000
   .508620900000   .000000000000
   .210217283000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: SNQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   385800.0000
   61300.00000
   14830.00000
   4283.000000
   1382.000000
   435.6000000
   166.0000000
   54.81000000
   21.93000000
   7.996000000
   3.166000000
   1.514000000

   .030366893571
   .036152716429
   .065509554286
   .108729164286
   .144414885714
   .215735550000
   .383800892857
   .239476307143
   .770234357143
   .136592907143
   .375652092857
   .064763286429
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  2160.89580      333.055260      67.1808290      11.7725930
   78490.00000
   11560.00000
   2817.000000
   876.9000000
   313.3000000
   91.00000000
   41.13000000
   15.88000000
   8.260000000
   3.846000000
   1.730000000
   .7461000000
   .013685754000   .004743664800   .002096660700   .000923462430
   .065406693000   .024242883000   .010812817000   .004658280800
   .216666830000   .082849477000   .037169914000   .016401578000
   .434913840000   .211595480000   .098315249000   .042718317000
   .386319640000   .236467710000   .116262760000   .052705224000
   .062033486000  -.372539460000  -.264167620000  -.129693420000
  -.029363389000  -.665581340000  -.655216770000  -.332076440000
   .014608198000  -.150929260000   .151823980000   .084263610000
  -.007995483200   .029268040000   .902932760000   .927570190000
   .006604171500  -.009840262500   .238021030000   .114961380000
  -.003548534400   .003051299600   .002180072400 -1.000136700000
   .000169275420  -.001059043100   .001391834000  -.369763290000
    9    3
  298.720500      55.6412540      8.10401070
   1484.000000
   370.0000000
   126.6000000
   50.05000000
   18.96000000
   8.320000000
   3.293000000
   1.472000000
   .6005000000
   .036742698000   .017707682000   .007385776200
   .189969570000   .092386559000   .039045491000
   .448290670000   .245902250000   .105371700000
   .424320310000   .179330780000   .072822794000
   .091357641000  -.423458170000  -.260108660000
  -.010822229000  -.613153900000  -.390051560000
   .004493482800  -.117420390000   .353509860000
  -.001537241000   .008450469100   .669615490000
   .000785080500  -.002404103300   .191606920000
    7    1
  37.8459420
   146.4000000
   43.79000000
   16.24000000
   6.625000000
   2.521000000
   .9660000000
   .3445000000
   .072185761000
   .306290700000
   .509698900000
   .308831760000
   .038708150000
  -.001808283600
   .000415978590
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SNQR-4P
End of Spectral Representation Operator

/Pb.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.14e-CG-AIMP.
Z.Barandiaran, L.Seijo, J.Chem.Phys. 101(1994)4049; L.S. JCP 102(1995)8078.
relativistic core[Xe,4f] val[5d,6s,6p]SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L.Seijo, JCP 102(1995)8078.
*
* - (5o) f orthogonality function is the 4f core orbital
*
*PBQR-DSP(A3/A2/71/5)-SO
 14.000000         3

   13    1
   1190487.920
   90764.47840
   12141.14420
   2270.743750
   194.2008340
   108.9793020
   33.30655360
   9.321286410
   6.121364970
   2.667138010
   1.221870160
   .1963588640
   .7448170590E-01
  -.000130103224
  -.000876143229
  -.004464850080
  -.013367436700
   .061705505800
   .015886673900
  -.225076493000
   .117672501000
   .421248155000
  -.204902449000
  -.695937681000
   .806645968000
   .411312707000
   12    1
   5438.757520
   1158.845320
   342.2449630
   51.06900310
   23.47187360
   15.10673300
   7.765786560
   1.958371720
   .9464944750
   .2549107380
   .1070741120
   .4239670580E-01
   .000695681077
   .006949959210
   .019416655600
  -.061501091900
  -.035848608700
   .065139302400
   .135563342000
  -.217756586000
  -.174477233000
   .302635606000
   .565089335000
   .286723486000
    8    2
   709.2219780
   204.8281570
   74.35308080
   16.09248210
   9.442252670
   1.594813340
   .5189166840
   .1640000000
   .007205322740   .000000000000
   .043661238300   .000000000000
   .097117281300   .000000000000
  -.111055770000   .000000000000
  -.226573252000   .000000000000
   .617786043000   .000000000000
   .506860109000   .000000000000
   .000000000000  1.000000000000
    5    1
   96.84000000
   31.98000000
   12.49000000
   5.034000000
   1.893000000
   .072956163000
   .286642340000
   .471946770000
   .376208320000
   .111938650000
*
* Core AIMP: PBQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   3733300.000
   467980.0000
   96777.00000
   24822.00000
   7368.100000
   2335.200000
   804.0800000
   334.9900000
   103.5130000
   58.40600000
   15.95900000
   7.046600000
   2.811900000
   1.347270000

   .022625628929
   .031821073000
   .060067529786
   .105383712857
   .157590034286
   .209659198571
   .397054560000
   .346150066429
   .882938300000
   .308794270000
  1.348596578571
   .469183102143
   .448407817143
   .068870985643
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  6531.99090      1180.33450      288.532210      68.1766170      12.3117610
   807100.0000
   93900.00000
   19580.00000
   5480.000000
   1858.000000
   728.8000000
   270.3000000
   121.6000000
   47.74000000
   25.26000000
   10.55000000
   5.601000000
   2.339000000
   1.228000000
   .5725000000
   .012449404000   .005088766200   .002444757200   .001237027800   .000554957860
   .044975793000   .018675418000   .009106047700   .004577966700   .002052465500
   .132789690000   .058705682000   .028491167000   .014488152000   .006506173200
   .305699930000   .143162070000   .071586500000   .036120057000   .016212525000
   .429897330000   .247518430000   .125342710000   .064818046000   .029215326000
   .254701450000   .101917540000   .051264013000   .024301138000   .010784853000
   .016605951000  -.496152970000  -.430579760000  -.246435610000  -.114205050000
  -.024347713000  -.582419800000  -.611315120000  -.395124390000  -.188782240000
   .008870511500  -.096502762000   .535273580000   .582116110000   .315132220000
   .010335810000   .029781076000   .759132070000   .936866140000   .533921470000
  -.001971721400  -.011502231000   .108576550000  -.672342460000  -.578760450000
  -.006549140000   .002402437000  -.021622139000  -.814708000000  -.965295830000
   .001197433500  -.002440686200   .007487992400  -.077495716000   .527885200000
   .001454331000   .002573201900  -.002852569700   .009065400700   .842763140000
   .000374987160  -.000155894030   .000895097850  -.001561219800   .160494730000
   12    4
  1016.64720      240.702110      52.1827270      7.68765670
   8926.000000
   2096.000000
   700.3000000
   277.6000000
   122.2800000
   54.59000000
   26.47000000
   11.85900000
   5.746000000
   2.390000000
   1.106900000
   .4612000000
   .017186320000   .009032827800   .004617518700   .001923218400
   .092633260000   .051081271000   .025723389000   .010883689000
   .285767770000   .162996700000   .084792119000   .035552602000
   .459875120000   .283639720000   .146006720000   .062349134000
   .294018310000   .037403867000  -.001103081000  -.004383351900
   .038930820000  -.553520480000  -.466143450000  -.215934710000
  -.007262915600  -.483194230000  -.301557620000  -.133457750000
   .003025631400  -.074305574000   .600806070000   .421173520000
   .002636579100   .006747100600   .579935800000   .391049500000
  -.000412900670  -.002399001200   .071368951000  -.512673200000
  -.001100353400   .000113881750  -.005744484700  -.620722430000
  -.000189915830  -.000386565520   .001138502200  -.128672580000
   10    2
  189.786220      32.9118920
   685.4000000
   209.1000000
   81.57000000
   35.56000000
   15.40400000
   6.943000000
   3.033000000
   1.341400000
   .5625000000
   .2169000000
   .040876730000   .022187535000
   .209935620000   .114232600000
   .457758650000   .253366300000
   .405198670000   .104036780000
   .099615629000  -.436540550000
  -.002346488400  -.547023150000
   .002118125600  -.153580170000
  -.000684296250  -.001646717200
   .000719628790  -.001704137000
  -.000056033351   .000580900020
    5    1
  11.6708090
   96.84000000
   31.98000000
   12.49000000
   5.034000000
   1.893000000
   .072956163000
   .286642340000
   .471946770000
   .376208320000
   .111938650000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PBQR-4F
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.1.5. Group VA Elements
********************************************************************************
*
/N.ECP.Barandiaran.5s5p1d.1s1p1d.5e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic   core[He] val[2s,2p]     (51/511/1*)=2s3p1d recommended
*NQR-SP(5/5/1)
  5.000000         2

    5    1
   237.7000750
   35.69905330
   7.729375830
   .6168783800
   .1952485650
  -.013568178000
  -.086535618300
  -.239116506000
   .627518621000
   .467846938000
    5    1
   26.87068510
   5.999028570
   1.756754270
   .5594420940
   .1736572590
   .014529999900
   .091016339300
   .297077744000
   .498677809000
   .339147281000
    1    1
   .8640000000
  1.000000000000
*
* Core AIMP: NQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   185074.9500
   16100.23500
   2445.592600
   483.2203700
   118.6081400
   35.12577100
   11.86336300

   .006607106400
   .012190095000
   .026943620000
   .055816810000
   .107792496000
   .139837698000
   .050812172000
M2
    0
COREREP
   1.0
PROJOP
    0
    6    1
  31.2787510
   897.2000000
   163.6200000
   45.46000000
   15.35900000
   5.799000000
   2.212900000
   .011755044000
   .062030975000
   .200582340000
   .401243870000
   .388674750000
   .090238060000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NQR-1S
End of Spectral Representation Operator

/P.ECP.Barandiaran.7s6p1d.1s1p1d.5e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic   core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*PQR-SP(7/6/1)                 (61/411/1)
  5.000000         2

    7    1
   1229.841090
   182.9931880
   40.54141630
   3.780423440
   1.689575320
   .3128014140
   .1137573450
   .004226922280
   .028211820900
   .082830779200
  -.249704896000
  -.286205410000
   .692425463000
   .476817647000
    6    1
   64.06998190
   14.44628490
   3.996261620
   .4326419310
   .1679402440
   .6679527800E-01
  -.015701217500
  -.081750512200
  -.161342609000
   .414402674000
   .512632042000
   .192555007000
    1    1
   .3400000000
  1.000000000000
*
* Core AIMP: PQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   231564.0100
   23684.73200
   4239.045400
   1009.559300
   287.4599500
   89.74231000
   24.34720800
   8.603350800
   3.423531300

   .021919618000
   .036010506000
   .071052652000
   .132817240000
   .222810940000
   .252385760000
   .385275940000
   .660335980000
   .217391360000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  160.441230      15.0983220
   2919.000100
   527.3000000
   146.7000000
   50.43000000
   19.44000000
   5.633000000
   2.367000000
   .9890000000
   .019247353000   .005154766300
   .097289178000   .028515341000
   .287736940000   .088673638000
   .452804950000   .196391170000
   .274235680000   .152825290000
   .025383437000  -.376677740000
  -.005403995900  -.616600520000
   .001368839800  -.159584910000
    7    1
  10.8038960
   224.0000000
   57.57000000
   20.14000000
   8.112000000
   3.499000000
   1.565000000
   .6538000000
   .008995003600
   .052376928000
   .170121920000
   .332476920000
   .393839580000
   .226011840000
   .032758678000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PQR-2P
End of Spectral Representation Operator

/As.ECP.Barandiaran.9s8p4d.1s1p2d.5e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic   core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*ASQR-SP(9/8/31)
  5.000000         2

    9    1
   7672.159410
   1066.992710
   228.4918750
   21.87208560
   8.219508460
   4.523100120
   1.800864720
   .2854849530
   .1063304460
  -.001747098590
  -.012063461700
  -.038840001100
   .168586104000
   .118711215000
  -.240791899000
  -.449239631000
   .733354626000
   .445265989000
    8    1
   514.9636690
   118.5776450
   36.08206900
   5.050363440
   2.128161060
   .4299731530
   .1773645540
   .6912604090E-01
   .003934714800
   .024496393800
   .059507067200
  -.138707298000
  -.148657721000
   .327727550000
   .546499082000
   .263471043000
    4    2
   16.92200000
   4.220700000
   1.122820000
   .2930000000
   .302770665000   .000000000000
   .600604450000   .000000000000
   .377225481000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: ASQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   338900.0000
   49290.00000
   11270.00000
   3131.000000
   997.6000000
   330.2000000
   108.4000000
   44.57000000
   11.23000000
   4.679000000
   1.714000000

   .052936350000
   .066678410000
   .122346244000
   .213751780000
   .319823400000
   .381144920000
   .736203560000
   .837902440000
  1.049100500000
  1.502406000000
   .317706400000
M2
    0
COREREP
   1.0
PROJOP
    2
   10    3
  878.842400      115.658690      16.5579600
   20100.00000
   3365.000000
   896.6000000
   298.9000000
   112.9000000
   32.77000000
   14.37000000
   5.339000000
   2.500000000
   1.077000000
   .016328529000   .005176101400   .002038343500
   .081261869000   .028115337000   .011002766000
   .254373820000   .091274013000   .036502256000
   .447589970000   .219118480000   .089638988000
   .325513970000   .198025830000   .088177355000
   .038420407000  -.454183020000  -.276509910000
  -.014390493000  -.622916200000  -.549366270000
   .005966896900  -.099524569000   .231144770000
  -.002530626600   .010702890000   .795469300000
   .001100600600  -.002585785400   .247904740000
    8    2
  101.094130      11.8753920
   830.6000000
   211.0000000
   73.34000000
   29.38000000
   12.73000000
   5.278000000
   2.236000000
   .9120000000
   .020426488000   .007979574300
   .113574020000   .047113877000
   .325127550000   .139484070000
   .460836710000   .219409610000
   .241945560000  -.001113785800
   .027130684000  -.469339230000
  -.000029313614  -.511331700000
   .000185628750  -.129296020000
    6    1
  4.13838560
   75.87000000
   22.70000000
   8.460000000
   3.341000000
   1.323000000
   .4885000000
   .029813264000
   .144878560000
   .335794450000
   .423897100000
   .299893440000
   .080268567000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ASQR-3D
End of Spectral Representation Operator

/Sb.ECP.Barandiaran.11s10p7d.1s1p2d.15e-CG-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
relativistic   core[Kr] val[4d,5s,5p] (11,11/10,11/611*)=3s3p3d recommended
*SBQR-DSP(A1/A0/61)
 15.000000         2

   11    1
   26370.88780
   3250.187980
   641.0221530
   58.15782250
   21.67249270
   11.90383930
   5.877988420
   2.801719210
   1.247097390
   .2197603620
   .8557958680E-01
   .000960055463
   .006715210330
   .023133867500
  -.111171649000
  -.065679106400
   .239331296000
   .265525423000
  -.281075039000
  -.593462744000
   .779997289000
   .439753962000
   10    1
   1516.700630
   343.3854940
   105.0695110
   15.06937000
   6.429654080
   3.287122410
   1.425368920
   .2861650180
   .1266199770
   .5333431660E-01
  -.002069205900
  -.013448027600
  -.035308693600
   .109268241000
   .074781892600
  -.171526185000
  -.242733512000
   .387529985000
   .533229974000
   .215180395000
    7    2
   187.7064780
   53.79177660
   18.66628480
   2.925451820
   1.187806430
   .4463076520
   .2110000000
  -.019948841200   .000000000000
  -.107757676000   .000000000000
  -.210974738000   .000000000000
   .445486085000   .000000000000
   .506425986000   .000000000000
   .192153704000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: SBQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   394600.0000
   61820.00000
   14870.00000
   4299.000000
   1381.000000
   433.6000000
   167.2000000
   52.42000000
   22.38000000
   7.037000000
   3.270000000
   1.603000000

   .028835511333
   .034720024667
   .062692552000
   .103548066667
   .136803913333
   .209700460000
   .357665720000
   .240932660000
   .709208133333
   .129336546667
   .336127206667
   .050429182667
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  2256.50100      350.364740      71.6526640      12.9622270
   82190.00000
   12060.00000
   2937.000000
   914.9000000
   327.3000000
   96.40000000
   43.63000000
   16.98000000
   8.870000000
   4.176000000
   1.860000000
   .8111000000
   .013944240000   .004864552700   .002158608100   .000963129060
   .066058252000   .024566331000   .011015065000   .004803825800
   .217209310000   .083582912000   .037652184000   .016835441000
   .434387450000   .211729780000   .098912595000   .043502013000
   .385404050000   .236596740000   .116685370000   .053650938000
   .062418056000  -.362392640000  -.257383370000  -.128368530000
  -.029220572000  -.669688940000  -.660532510000  -.338841830000
   .014160028000  -.158061140000   .125468410000   .066426432000
  -.007546298700   .030107827000   .908315250000   .944522940000
   .006548828500  -.010054008000   .252994860000   .136966520000
  -.003521783300   .003026586800   .004223504900 -1.016327000000
   .000127279480  -.001096869700   .001084376000  -.366637670000
    9    3
  314.298020      59.5631880      9.07458310
   1567.000000
   390.3000000
   133.6000000
   52.89000000
   20.19000000
   8.910000000
   3.580000000
   1.616000000
   .6683000000
   .036322113000   .017583324000   .007466961500
   .187955300000   .092045883000   .039547891000
   .445676530000   .245388970000   .107069560000
   .426356390000   .184120110000   .076154292000
   .094268278000  -.413706090000  -.259460560000
  -.010945469000  -.617401770000  -.403184940000
   .004574429000  -.123594330000   .340712130000
  -.001532571400   .008092227200   .680989450000
   .000812477910  -.002340783000   .193586340000
    7    1
  41.0721650
   159.7000000
   47.99000000
   17.92000000
   7.363000000
   2.830000000
   1.106000000
   .4020000000
   .067660326000
   .292877650000
   .504046830000
   .324719780000
   .045198791000
  -.002263767700
   .000541818150
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SBQR-4P
End of Spectral Representation Operator

/Bi.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.15e-CG-AIMP.
Z.Barandiaran, L.Seijo, J.Chem.Phys. 101(1994)4049; L.S. JCP 102(1995)8078.
relativistic core[Xe,4f] val[5d,6s,6p]SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L.Seijo, JCP 102(1995)8078.
*
* - (5o) f orthogonality function is the 4f core orbital
*
*BIQR-DSP(A3/A2/71/5)-SO
 15.000000         3

   13    1
   1250478.460
   94581.95760
   12532.83160
   2355.784510
   196.7106910
   124.2467780
   32.93487430
   23.92041980
   6.792080760
   4.110705120
   1.382042260
   .2202434450
   .8543085960E-01
  -.000138694567
  -.000930830846
  -.004737208660
  -.013842282100
   .067412880000
   .011242493500
  -.276250162000
   .054465804900
   .613517109000
  -.182698932000
  -.823099954000
   .841903673000
   .388326015000
   12    1
   5672.473660
   1204.284840
   354.7919300
   51.62714730
   21.04379090
   12.96046870
   7.255844880
   2.158201260
   1.080155760
   .2731153040
   .1183882270
   .4931109880E-01
   .000730952573
   .007861155060
   .022099327700
  -.074785420800
  -.031999730100
   .109722912000
   .120398323000
  -.233360855000
  -.210562965000
   .383043804000
   .553947683000
   .215282262000
    8    2
   732.7599220
   211.5897240
   76.85176510
   16.52371160
   9.754176520
   1.711665720
   .5753135460
   .1850000000
   .007477516320   .000000000000
   .045537654500   .000000000000
   .101554635000   .000000000000
  -.120455233000   .000000000000
  -.232461928000   .000000000000
   .627756378000   .000000000000
   .491956815000   .000000000000
   .000000000000  1.000000000000
    5    1
   102.8500000
   34.07000000
   13.37000000
   5.426000000
   2.065000000
   .070155585000
   .280514130000
   .470756860000
   .380262790000
   .113280500000
*
* Core AIMP: BIQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   3919600.000
   500980.0000
   104637.0000
   27012.00000
   8088.100000
   2581.200000
   879.2800000
   368.6900000
   111.7730000
   65.59600000
   16.62900000
   7.328600000
   2.952900000
   1.434000000

   .020888807333
   .028977200667
   .054610074667
   .095415386667
   .143202926667
   .190749206667
   .356904000000
   .337101393333
   .753327800000
   .368786813333
  1.270603466667
   .433230520000
   .419919206667
   .059616530667
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  6720.38410      1219.65590      299.681380      71.6810540      13.3870180
   1160100.000
   132100.0000
   26770.00000
   7307.000000
   2409.000000
   905.4000000
   310.2000000
   137.1000000
   51.80000000
   27.86000000
   11.51000000
   6.188000000
   2.522000000
   1.371000000
   .6444000000
   .010131871000   .004152235100   .001999274400   .001013590000   .000460557100
   .036117218000   .014968021000   .007290657900   .003680847300   .001668660000
   .107397740000   .047314357000   .023003527000   .011710247000   .005327987200
   .260228060000   .119448670000   .059391371000   .030093735000   .013651375000
   .420899980000   .232110980000   .117265930000   .060433353000   .027594359000
   .327276000000   .167565640000   .086928601000   .043852995000   .019814271000
   .044402562000  -.415034230000  -.351642670000  -.201623000000  -.094237651000
  -.033840846000  -.646609450000  -.671406990000  -.426417380000  -.205872530000
   .011277517000  -.133051460000   .405243240000   .446655120000   .246901740000
   .008293523700   .042804314000   .837561490000  1.032076000000   .591085600000
   .001519333700  -.016317464000   .138767740000  -.531587350000  -.463101050000
  -.009172534900   .005272700500  -.027397362000  -.912733380000 -1.062577700000
   .001855110700  -.004379281600   .009292754200  -.102681110000   .427880690000
   .001122632800   .003782393600  -.003907250600   .015340847000   .898085130000
   .000565254840  -.000344187090   .001136448900  -.002462957500   .187232170000
   12    4
  1047.83270      249.674970      54.9656580      68.4932010
   9518.000000
   2229.000000
   743.4000000
   294.3000000
   129.5900000
   57.60000000
   27.92000000
   12.50400000
   6.084000000
   2.560000000
   1.201900000
   .5084000000
   .016511010000   .008693798200   .004460000000   .001892099600
   .089025272000   .049188494000   .024875773000   .010697453000
   .277552010000   .158282650000   .082594587000   .035263416000
   .456804100000   .282353900000   .146108030000   .063379058000
   .305106630000   .054135792000   .009228535400   .000391587120
   .044356139000  -.539802180000  -.455977670000  -.215540660000
  -.008296558700  -.498409380000  -.324444710000  -.147197450000
   .003348040100  -.080952370000   .583930980000   .418140740000
   .002652897800   .007539066200   .595328000000   .416071730000
  -.000303367020  -.002705944600   .077342364000  -.501874680000
  -.001225572500   .000203066110  -.006041009600  -.634668800000
  -.000191372760  -.000435667420   .001173199600  -.130824080000
   10    2
  197.171800      35.0536500
   704.9000000
   215.0000000
   84.17000000
   36.87000000
   16.10400000
   7.327000000
   3.255000000
   1.460200000
   .6257000000
   .2452000000
   .041073365000   .022418962000
   .210001110000   .115116520000
   .455528780000   .253553260000
   .404461310000   .106716710000
   .101720760000  -.429154740000
  -.002095456700  -.547367930000
   .002124592100  -.159523450000
  -.000674044450  -.002978387900
   .000749286240  -.001496618200
  -.000058559333   .000537262080
    5    1
  13.1880060
   102.8500000
   34.07000000
   13.37000000
   5.426000000
   2.065000000
   .070155585000
   .280514130000
   .470756860000
   .380262790000
   .113280500000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BIQR-4F
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.1.6. Group VIA Elements (Calcogens)
********************************************************************************
*
/O.ECP.Barandiaran.5s6p1d.1s2p1d.6e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic core[He] val[2s,2p]     (51/5111a/1*)=2s4p1d recommeded
*
* - p diffuse functions for anion from
*   (5) T.H.Dunning, Jr., and P.J.Hay, in "Modern Theoretical Chemistry",
*        ed. by H.F.Schaefer III (Plenum, New York, 1977) p. 1.
*
*OQR-SP(5/51/1)                (41/3111/1)
  6.000000         2

    5    1
   319.6409400
   47.94871100
   10.44693690
   .8403305290
   .2630992540
  -.013636276600
  -.087872537600
  -.244360019000
   .631925276000
   .464805047000
    6    2
   34.79728950
   7.818984810
   2.300235180
   .7216311170
   .2154144760
   .5900000000E-01
   .015768361200   .000000000000
   .098887296400   .000000000000
   .308820860000   .000000000000
   .491381697000   .000000000000
   .338525050000   .000000000000
   .000000000000  1.000000000000
    1    1
   1.154000000
  1.000000000000
*
* Core AIMP: OQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   200307.5400
   18504.95000
   2928.814600
   595.8038000
   149.3118000
   44.98969800
   15.39521000

   .005997019833
   .010631416167
   .023150785000
   .047562630000
   .090888160000
   .114899491667
   .040203830000
M2
    0
COREREP
   1.0
PROJOP
    0
    6    1
  41.3737360
   1144.700000
   208.6200000
   58.06000000
   19.69200000
   7.458000000
   2.823700000
   .012220217000
   .064269186000
   .206351370000
   .406813960000
   .381622680000
   .082920574000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
OQR-1S
End of Spectral Representation Operator

/S.ECP.Barandiaran.7s6p1d.1s1p1d.6e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*SQR-SP(7/6/1)
  6.000000         2

    7    1
   1421.989530
   211.0266560
   46.72165060
   4.310564040
   1.966475840
   .4015383790
   .1453058790
   .004499703540
   .030157124800
   .089332590700
  -.288438151000
  -.279252515000
   .700286615000
   .482409523000
    6    1
   78.08932440
   17.68304310
   4.966340810
   .5611646780
   .2130782690
   .8172415400E-01
  -.015853278200
  -.084808963800
  -.172934245000
   .420961662000
   .506647309000
   .200082121000
    1    1
   .4210000000
  1.000000000000
*
* Core AIMP: SQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   237485.0100
   24909.63500
   4519.833100
   1082.854700
   310.5610000
   96.91851000
   26.63059000
   9.762505000
   4.014487500

   .019335998333
   .031229360000
   .061638463333
   .114969451667
   .190198283333
   .211928633333
   .336340950000
   .538432350000
   .162593178333
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  184.666320      18.1126960
   3459.000000
   620.3000000
   171.4000000
   58.53000000
   22.44000000
   6.553000000
   2.777000000
   1.155000000
   .018538249000   .005054826900
   .094569248000   .028197248000
   .283859290000   .088959130000
   .454711270000   .199724180000
   .279041370000   .158375340000
   .025985763000  -.381198090000
  -.005481472900  -.621887210000
   .001288714400  -.151789890000
    7    1
  13.3703160
   274.0000000
   70.57000000
   24.74000000
   9.995000000
   4.330000000
   1.946000000
   .8179000000
   .008300916100
   .048924254000
   .162411660000
   .327163550000
   .398615170000
   .232548200000
   .034091088000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SQR-2P
End of Spectral Representation Operator

/Se.ECP.Barandiaran.9s8p4d.1s1p2d.6e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*SEQR-SP(9/8/31)
  6.000000         2

    9    1
   8311.122080
   1148.207340
   244.7460870
   23.39122330
   8.856992630
   4.922394830
   2.020792310
   .3376567750
   .1266342020
  -.001864268500
  -.012913496600
  -.041817980400
   .182075549000
   .126407012000
  -.250932932000
  -.485502669000
   .756627063000
   .436233894000
    8    1
   553.1067820
   127.2683450
   38.77381110
   5.516049290
   2.405819520
   .5076401050
   .2070221950
   .7911455630E-01
   .004311729360
   .026938305300
   .065622628700
  -.150233299000
  -.161835534000
   .352206720000
   .539224709000
   .254646622000
    4    2
   19.24700000
   4.872300000
   1.331810000
   .3380000000
   .293356602000   .000000000000
   .601188487000   .000000000000
   .377552362000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: SEQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   349400.0000
   49730.00000
   11160.00000
   3057.000000
   965.0000000
   313.2000000
   105.9000000
   44.80000000
   11.79000000
   5.102000000
   1.972000000

   .045382076667
   .058126965000
   .108133943333
   .188889500000
   .278106116667
   .332320350000
   .649169833333
   .644583866667
   .897611583333
  1.218419950000
   .245922483333
M2
    0
COREREP
   1.0
PROJOP
    2
   10    3
  937.217540      124.800190      18.4388110
   21120.00000
   3522.000000
   937.5000000
   313.0000000
   118.8000000
   35.14000000
   15.44000000
   5.805000000
   2.730000000
   1.183000000
   .016806480000   .005369344400   .002135220400
   .083229108000   .028919737000   .011442241000
   .258525310000   .093629048000   .037835037000
   .448397860000   .221436550000   .091671547000
   .319216430000   .194995280000   .087855332000
   .037051209000  -.453558720000  -.279803020000
  -.013776672000  -.622720840000  -.555679730000
   .005569305600  -.101396510000   .225299460000
  -.002226572400   .010346910000   .806926050000
   .001052809000  -.002428564100   .244955870000
    8    2
  109.443070      13.4544280
   915.4000000
   232.0000000
   80.46000000
   32.20000000
   13.96000000
   5.784000000
   2.469000000
   1.017000000
   .019495908000   .007720593500
   .109530120000   .046090204000
   .318895160000   .138649840000
   .461282790000   .222956600000
   .250125380000   .007329404200
   .029501318000  -.469119480000
  -.000295746720  -.515872800000
   .000215015320  -.126732570000
    6    1
  5.19413210
   82.50000000
   24.80000000
   9.330000000
   3.745000000
   1.517000000
   .5714000000
   .030169369000
   .146589980000
   .337579890000
   .423938470000
   .292526010000
   .073033577000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SEQR-3D
End of Spectral Representation Operator

/Te.ECP.Barandiaran.11s10p7d.1s1p2d.16e-CG-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
relativistic core[Kr] val[4d,5s,5p]     (11.11/10,11/611*)=3s3p3d recommended
*TEQR-DSP(A1/A0/61)
 16.000000         2

   11    1
   28098.28090
   3433.026780
   673.1249520
   61.30304750
   27.71993850
   13.56873620
   7.654945220
   2.954641320
   1.415584450
   .2487683990
   .9752480600E-01
   .001022971830
   .007162675030
   .024735732400
  -.115361843000
  -.049635858200
   .138431536000
   .331252312000
  -.210989357000
  -.667424362000
   .821844047000
   .410116896000
   10    1
   1595.127700
   360.2791390
   110.0386700
   16.07076480
   7.460756440
   3.476132860
   1.598676640
   .3259452920
   .1400015890
   .5792024120E-01
  -.002253403870
  -.014695066200
  -.038738086100
   .115086905000
   .075048066300
  -.168899491000
  -.265620367000
   .427483608000
   .523752619000
   .193352214000
    7    2
   198.5780870
   56.97055950
   19.83069530
   3.151778120
   1.301088530
   .4987468650
   .2370000000
  -.020391475100   .000000000000
  -.110799976000   .000000000000
  -.218194356000   .000000000000
   .454807872000   .000000000000
   .503680285000   .000000000000
   .177348984000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: TEQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   410300.0000
   64220.00000
   15390.00000
   4408.000000
   1392.000000
   431.6000000
   169.0000000
   52.56000000
   23.46000000
   7.448000000
   3.555000000
   1.773000000

   .027174105000
   .032776712500
   .059470267500
   .099156862500
   .131434050000
   .205264156250
   .330135037500
   .228186025000
   .655875312500
   .112296487500
   .318976606250
   .049254366250
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  2354.49350      368.233090      76.3193200      14.2281000
   80690.00000
   11960.00000
   2967.000000
   933.9000000
   336.3000000
   99.90000000
   44.93000000
   17.08000000
   9.080000000
   4.256000000
   1.960000000
   .8681000000
   .015102356000   .005298054800   .002367650400   .001065739700
   .069333191000   .025951077000   .011662781000   .005162716900
   .221514950000   .085834446000   .038951017000   .017585895000
   .435183870000   .214278350000   .100406650000   .044824212000
   .378557630000   .231867390000   .115428470000   .053532338000
   .059088151000  -.375312220000  -.270942960000  -.136116240000
  -.027709663000  -.667720450000  -.661186010000  -.346810190000
   .013499173000  -.151255910000   .173012540000   .107993960000
  -.007030583500   .034113940000   .896000580000   .959563020000
   .006403973500  -.011382553000   .230611980000   .089939279000
  -.003689213500   .003615278800   .002125916400 -1.026117200000
   .000130098180  -.001235416500   .001184972500  -.348452870000
    9    3
  330.348330      63.6582370      10.1128690
   1789.000000
   442.8000000
   150.6000000
   59.18000000
   22.91000000
   10.14000000
   4.274000000
   1.911000000
   .7878000000
   .031896946000   .015418442000   .006712660000
   .170024930000   .083834935000   .036328066000
   .427891970000   .233729620000   .104285030000
   .447226790000   .212506910000   .089685527000
   .113422820000  -.353806610000  -.221973910000
  -.011105177000  -.642736030000  -.443805710000
   .004895988800  -.158326810000   .242738890000
  -.001563225900   .004311217900   .727522360000
   .000895960830  -.001908550100   .235329360000
    7    1
  44.4563370
   184.0000000
   55.19000000
   20.61000000
   8.459000000
   3.249000000
   1.286000000
   .4727000000
   .057628346000
   .265780070000
   .494991530000
   .357583830000
   .058021004000
  -.003187041200
   .000825467070
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TEQR-4P
End of Spectral Representation Operator

/Po.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.16e-CG-AIMP.
Z.Barandiaran, L.Seijo, J.Chem.Phys. 101(1994)4049; L.S. JCP 102(1995)8078.
relativistic core[Xe,4f] val[5d,6s,6p]SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L.Seijo, JCP 102(1995)8078.
*
* - (5o) f orthogonality function is the 4f core orbital
*
*POQR-DSP(A3/A2/71/5)-SO
 16.000000         3

   13    1
   1305185.120
   97931.16870
   12823.13300
   2420.767110
   207.5905640
   106.1784720
   37.67282980
   27.36683800
   7.558849810
   2.617963600
   1.420623050
   .2510514120
   .9800063120E-01
  -.000146728016
  -.000982813850
  -.005015807700
  -.014222855100
   .067701749700
   .021153560800
  -.214412709000
  -.037533405300
   .558791490000
  -.165804109000
  -.801769302000
   .868505150000
   .386749485000
   12    1
   5853.945470
   1240.718330
   365.1621640
   53.76290320
   22.68641750
   15.60495350
   8.261782590
   2.209793290
   1.113413330
   .3433324460
   .1496189190
   .5984975720E-01
   .000738523174
   .008631674430
   .024209338200
  -.079775341900
  -.048301131600
   .096394567400
   .163089105000
  -.269003185000
  -.219430976000
   .345606648000
   .569894010000
   .259065436000
    8    2
   759.1859520
   219.1287660
   79.60054800
   16.83677360
   10.03775740
   1.831337280
   .6328235080
   .2040000000
   .007676810980   .000000000000
   .047103001600   .000000000000
   .105749507000   .000000000000
  -.132698603000   .000000000000
  -.234350403000   .000000000000
   .636907057000   .000000000000
   .478947536000   .000000000000
   .000000000000  1.000000000000
    5    1
   108.0700000
   35.88000000
   14.14000000
   5.781000000
   2.227000000
   .068712423000
   .277685910000
   .470235610000
   .381210950000
   .112753230000
*
* Core AIMP: POQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   3520400.000
   457280.0000
   96867.00000
   25402.00000
   7665.100000
   2414.200000
   826.8800000
   339.1900000
   106.6530000
   56.97600000
   17.02900000
   7.247600000
   3.011900000
   1.458000000

   .020956770625
   .028766777500
   .053654625000
   .092578437500
   .138097831250
   .188494568750
   .359150731250
   .296797043750
   .828736437500
   .207287062500
  1.214109812500
   .391742693750
   .386621787500
   .043005358125
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  6912.60930      1259.98400      311.170520      75.3285910      14.5244620
   1229900.000
   138400.0000
   27870.00000
   7602.000000
   2504.000000
   938.9000000
   320.8000000
   141.6000000
   53.42000000
   28.71000000
   11.79000000
   6.353000000
   2.519000000
   1.371000000
   .6529000000
   .010314985000   .004246490700   .002047620600   .001041568800   .000478366410
   .036604987000   .015246923000   .007437343000   .003764801400   .001729053200
   .107761630000   .047717092000   .023233300000   .011870268000   .005456057400
   .259036180000   .119369370000   .059441416000   .030189883000   .013880818000
   .419592830000   .231556710000   .117066980000   .060564216000   .027915259000
   .329562550000   .167575040000   .086789145000   .043761967000   .020130141000
   .045369879000  -.414276370000  -.352193750000  -.202440610000  -.096099002000
  -.034836251000  -.647025880000  -.670826760000  -.427992220000  -.208537490000
   .011707026000  -.132724440000   .409731330000   .456733300000   .254230070000
   .008630853100   .042976119000   .835902540000  1.029143300000   .601173450000
   .001244083000  -.016304313000   .136384320000  -.556296950000  -.503398850000
  -.009345238800   .004903150300  -.027659744000  -.900218290000 -1.059446600000
   .002135341500  -.004020312700   .009288280600  -.095356389000   .537760140000
   .001088348500   .003765974200  -.004040134200   .016691915000   .847580430000
   .000502973550  -.000403193730   .001175823400  -.002712719500   .146803090000
   12    4
  1079.62330      258.885150      57.8585380      9.34753480
   9676.000000
   2264.000000
   754.6000000
   299.2000000
   132.0400000
   59.12000000
   28.76000000
   12.98100000
   6.355000000
   2.714000000
   1.288300000
   .5514000000
   .016954751000   .008963207200   .004612454300   .001990776300
   .091016790000   .050390551000   .025607801000   .011188055000
   .281300510000   .161059370000   .084353672000   .036633438000
   .457016160000   .282391090000   .146741430000   .064665937000
   .300462290000   .048535648000   .005240396700  -.001435613700
   .042537698000  -.540582850000  -.458579730000  -.220856590000
  -.008080345900  -.495110710000  -.323805680000  -.149135640000
   .003256542600  -.081247707000   .580761880000   .424822580000
   .002894169100   .007528902700   .597312920000   .429107330000
  -.000367334200  -.002702759000   .079848141000  -.501806220000
  -.001271828500   .000140524660  -.005879060700  -.642577550000
  -.000205344030  -.000438366130   .001106021900  -.128811550000
   10    2
  204.747660      37.2882890
   743.8000000
   227.3000000
   89.10000000
   39.06000000
   17.13400000
   7.848000000
   3.526000000
   1.604200000
   .6982000000
   .2761000000
   .039192177000   .021511321000
   .202187980000   .111542060000
   .448333960000   .251434860000
   .412702330000   .120451920000
   .109687140000  -.411263430000
  -.001773938500  -.554954450000
   .002268592700  -.171790780000
  -.000746725390  -.004323795100
   .000815964290  -.001485793900
  -.000068038181   .000551362970
    5    1
  14.7929920
   108.0700000
   35.88000000
   14.14000000
   5.781000000
   2.227000000
   .068712423000
   .277685910000
   .470235610000
   .381210950000
   .112753230000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
POQR-4F
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.1.7. Group VIIA Elements (Halogens)
********************************************************************************
*
/F.ECP.Barandiaran.5s6p1d.1s2p1d.7e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic core[He] val[2s,2p]     (51/5111a/1*)=2s4p1d recommended
*
* - p diffuse functions for anion from
*   (5) T.H.Dunning, Jr., and P.J.Hay, in "Modern Theoretical Chemistry",
*        ed. by H.F.Schaefer III (Plenum, New York, 1977) p. 1.
*
*FQR-SP(5/51/1)
  7.000000         2

    5    1
   412.3124990
   61.87290930
   13.55422490
   1.095850800
   .3401133540
  -.013719776600
  -.088854330000
  -.247855833000
   .634045788000
   .463662781000
    6    2
   44.17359600
   9.982101220
   2.946971990
   .9184365200
   .2684727710
   .7400000000E-01
   .016591115300   .000000000000
   .104018132000   .000000000000
   .316197719000   .000000000000
   .487542407000   .000000000000
   .335934365000   .000000000000
   .000000000000  1.000000000000
    1    1
   1.496000000
  1.000000000000
*
* Core AIMP: FQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   214747.4000
   21359.74900
   3535.977600
   738.9730000
   187.9513200
   57.08884600
   19.60350700

   .005509986857
   .009311551857
   .020010808571
   .040871752857
   .077858502857
   .098056947143
   .034094735714
M2
    0
COREREP
   1.0
PROJOP
    0
    6    1
  52.8253730
   1404.100000
   255.2000000
   70.87000000
   24.03000000
   9.110000000
   3.412000000
   .012823025000
   .067408973000
   .215457280000
   .416086850000
   .369979540000
   .072286347000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FQR-1S
End of Spectral Representation Operator

/Cl.ECP.Barandiaran.7s7p1d.1s2p1d.7e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic core[Ne] val[3s,3p]     (71/6111a/1*)=2s4p1d recommended
*
* - p diffuse functions for anion from
*   (5) T.H.Dunning, Jr., and P.J.Hay, in "Modern Theoretical Chemistry",
*        ed. by H.F.Schaefer III (Plenum, New York, 1977) p. 1.
*
*CLQR-SP(7/61/1)               (61/4111/1)
  7.000000         2

    7    1
   1624.206760
   240.4285120
   53.24486840
   4.946716500
   2.324416250
   .4905502010
   .1773858390
   .004739567470
   .031842847200
   .094806068900
  -.312804805000
  -.275363899000
   .713439129000
   .475413978000
    7    2
   92.97652070
   21.13118850
   6.008378930
   .7000661990
   .2638039870
   .9954937270E-01
   .4900000000E-01
  -.016034520600   .000000000000
  -.087481071700   .000000000000
  -.182621238000   .000000000000
   .430039964000   .000000000000
   .502442666000   .000000000000
   .198252056000   .000000000000
   .000000000000  1.000000000000
    1    1
   .5140000000
  1.000000000000
*
* Core AIMP: CLQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   243528.2400
   26351.96000
   4889.395300
   1187.063900
   345.2973000
   109.4725300
   30.68129500
   11.40798600
   4.760681700

   .017430648571
   .027528717143
   .053943637143
   .100170490000
   .163089857143
   .180702942857
   .287916442857
   .460338614286
   .137450081429
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  210.615620      21.3540210
   3929.000000
   705.3000000
   196.1000000
   67.33000000
   25.84000000
   7.423000000
   3.157000000
   1.300000000
   .018581161000   .005141034900
   .093893853000   .028493392000
   .279931590000   .088917562000
   .451789300000   .201292530000
   .285603100000   .162635910000
   .027470973000  -.398034810000
  -.006334092300  -.621600190000
   .001429809800  -.135748510000
    7    1
  16.1543760
   329.0000000
   84.77000000
   29.74000000
   12.03100000
   5.226000000
   2.357000000
   .9951000000
   .007763960700
   .046290121000
   .156586320000
   .323457100000
   .402593980000
   .236866150000
   .034840559000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CLQR-2P
End of Spectral Representation Operator

/Br.ECP.Barandiaran.9s8p4d.1s1p2d.7e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic core[Ar,3d] val[4s,4p]     (911/8111/3o1*)=3s4p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*BRQR-SP(9/8/31)
  7.000000         2

    9    1
   8934.747710
   1227.843300
   261.0091240
   25.08448110
   9.675807810
   5.450490620
   2.272826240
   .3906786120
   .1475413850
  -.001969331390
  -.013653782700
  -.044339490000
   .191917708000
   .136398954000
  -.251927561000
  -.523169829000
   .775392267000
   .428363464000
    8    1
   588.0172400
   135.4790460
   41.42742360
   6.040086280
   2.728309220
   .5785604340
   .2350971270
   .9001089520E-01
   .004709304070
   .029336301200
   .071168108000
  -.158022633000
  -.174970644000
   .382946479000
   .532209944000
   .233513933000
    4    2
   21.62800000
   5.543400000
   1.549440000
   .3890000000
   .286031501000   .000000000000
   .601750781000   .000000000000
   .377270650000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: BRQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   330382.4900
   47718.61900
   10783.83000
   2967.532400
   939.6351700
   302.6819300
   104.7460400
   44.64796900
   12.03593000
   5.342604800
   2.147700000

   .041349918571
   .052475810000
   .097775391429
   .169800971429
   .244784528571
   .296484657143
   .587650400000
   .514000985714
   .833739857143
   .989394185714
   .172543300000
M2
    0
COREREP
   1.0
PROJOP
    2
   10    3
  997.594510      134.330110      20.4040000
   19417.84600
   3408.074700
   870.6935400
   287.7491500
   109.8305500
   44.75900400
   18.68781200
   7.858174300
   3.309392600
   1.394000000
   .018793774000   .006281274900   .002487976300
   .094683534000   .032058741000   .012975393000
   .296852090000   .114218710000   .046184507000
   .465283650000   .230451940000   .098612398000
   .261351690000   .197449130000   .088096868000
   .016473580000  -.369443180000  -.207608610000
   .000741353190  -.684191960000  -.608456170000
  -.002353809900  -.149148580000   .059229743000
   .001847298300  -.001305668500   .868931090000
   .000084660304  -.000432076620   .308840800000
    8    2
  118.145920      15.1078690
   940.3640400
   238.7018400
   83.05400700
   33.38100300
   14.52381300
   6.125695500
   2.653036000
   1.106000000
   .020725507000   .008357416200
   .114999280000   .049039649000
   .327789400000   .145364880000
   .460174020000   .224837740000
   .237916480000  -.005896385700
   .026497888000  -.478283050000
   .000036934620  -.507589860000
   .000077004363  -.117274530000
    6    1
  6.31510900
   96.24691000
   29.06600500
   10.97346000
   4.425689100
   1.804591000
   .6835000000
   .026631031000
   .134401870000
   .326604460000
   .429958070000
   .302954730000
   .074571885000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BRQR-3D
End of Spectral Representation Operator

/I.ECP.Barandiaran.11s10p7d.1s1p2d.17e-CG-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
relativistic core[Kr] val[4d,5s,5p]  (11,11/10,111/611*)=3s4p3d recommended
*IQR-DSP(A1/A0/61)
 17.000000         2

   11    1
   29984.07020
   3634.651300
   707.4745620
   63.46176880
   26.13652720
   12.40825030
   6.715754720
   3.091232670
   1.496234680
   .2887284350
   .1141164890
   .001076675920
   .007535185940
   .026188213000
  -.126244204000
  -.052540807600
   .265953624000
   .266224247000
  -.285495495000
  -.677340394000
   .830500150000
   .424396497000
   10    1
   1662.357030
   375.7853140
   114.9843720
   16.87516590
   7.831289420
   3.774937460
   1.767022460
   .3716538590
   .1597732380
   .6597018140E-01
  -.002456735470
  -.015955614200
  -.041950120700
   .125728964000
   .081849383100
  -.176427072000
  -.290651856000
   .446780278000
   .518485539000
   .184636973000
    7    2
   210.0596070
   60.31401070
   21.04791190
   3.379158180
   1.412618880
   .5491004960
   .2660000000
  -.020725583200   .000000000000
  -.113382287000   .000000000000
  -.224889316000   .000000000000
   .465182529000   .000000000000
   .500355207000   .000000000000
   .163482270000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: IQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   407900.0000
   64050.00000
   15400.00000
   4427.000000
   1403.000000
   432.2000000
   169.7000000
   49.94000000
   23.77000000
   5.877000000
   3.299000000
   1.671000000

   .026240542353
   .031645661176
   .057190542353
   .094650058824
   .124700717647
   .202408370588
   .308701405882
   .243694752941
   .591986058824
   .178791558824
   .235520864706
   .022116536471
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  2454.85300      386.624390      81.1405050      15.5303410
   82090.00000
   12060.00000
   2967.000000
   935.9000000
   340.3000000
   101.9000000
   45.53000000
   16.88000000
   8.950000000
   4.016000000
   1.970000000
   .8881000000
   .015814161000   .005567609400   .002505344000   .001136118000
   .072831849000   .027451403000   .012360595000   .005557174000
   .231036430000   .090156640000   .041224170000   .018756940000
   .439193470000   .219908140000   .103381020000   .046890143000
   .365573450000   .221990330000   .111728840000   .052129849000
   .053174102000  -.402795280000  -.296852830000  -.149953180000
  -.025443328000  -.657057500000  -.656265340000  -.353342710000
   .012083463000  -.135774590000   .270505500000   .195502670000
  -.005313124400   .034423015000   .873418830000   .972869180000
   .005560520400  -.011991014000   .179956310000  -.053392132000
  -.003846127000   .004420777400  -.004949270200 -1.021673600000
   .000183848950  -.001377731600   .001710532900  -.288026920000
    9    3
  346.831060      67.8851440      11.1794460
   1786.000000
   443.3000000
   151.4000000
   59.82000000
   23.03000000
   10.25000000
   4.234000000
   1.940000000
   .8175000000
   .034215733000   .016709145000   .007339266700
   .179038900000   .088692162000   .039241636000
   .436492100000   .241640400000   .109024940000
   .436983640000   .199343090000   .085564094000
   .104086740000  -.386955000000  -.252004190000
  -.011728546000  -.629627990000  -.432636900000
   .005020872400  -.139152150000   .307246510000
  -.001650356700   .007125994700   .707120270000
   .000910731140  -.002192159500   .200872930000
    7    1
  47.9564630
   181.8000000
   54.83000000
   20.64000000
   8.582000000
   3.392000000
   1.373000000
   .5153000000
   .063994158000
   .282524480000
   .499004260000
   .334915830000
   .051087779000
  -.002335283300
   .000538709530
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
IQR-4P
End of Spectral Representation Operator

/At.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.17e-CG-AIMP.
Z.Barandiaran, L.Seijo, J.Chem.Phys. 101(1994)4049; L.S. JCP 102(1995)8078.
relativistic core[Xe,4f] val[5d,6s,6p]SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L.Seijo, JCP 102(1995)8078.
*
* - (5o) f orthogonality function is the 4f core orbital
*
*ATQR-DSP(A3/A2/71/5)-SO
 17.000000         3

   13    1
   1330373.960
   99312.61410
   12881.40050
   2474.859160
   214.7339340
   111.5797060
   37.08306530
   11.39610720
   7.094302360
   4.485176380
   1.574395870
   .2763393840
   .1089282840
  -.000154245526
  -.001030359550
  -.005277690660
  -.014123935000
   .069168243600
   .020375290400
  -.259246240000
   .055751370800
   .649870007000
  -.204733484000
  -.924034607000
   .896077868000
   .371294340000
   12    1
   6081.578250
   1285.592980
   377.4286750
   55.25518340
   23.37400220
   15.27629050
   8.384673590
   2.348208470
   1.199265770
   .3895219150
   .1703528830
   .6806608000E-01
   .000747301263
   .009303572920
   .026200734000
  -.087130491100
  -.044778033900
   .108760931000
   .167649821000
  -.290968146000
  -.237718794000
   .362078050000
   .572614107000
   .251035839000
    8    2
   782.3897110
   225.8727170
   82.13020110
   17.39029990
   10.41113290
   1.950376610
   .6894375560
   .2250000000
   .007925611400   .000000000000
   .048784880000   .000000000000
   .109616971000   .000000000000
  -.139020631000   .000000000000
  -.241043104000   .000000000000
   .646388176000   .000000000000
   .466309053000   .000000000000
   .000000000000  1.000000000000
    5    1
   115.1000000
   38.32000000
   15.16000000
   6.229000000
   2.421000000
   .065462966000
   .270117600000
   .468471840000
   .387073130000
   .115421720000
*
* Core AIMP: ATQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   3550800.000
   455680.0000
   95967.00000
   25152.00000
   7598.100000
   2387.200000
   823.5800000
   333.4900000
   106.6130000
   48.88600000
   17.22900000
   6.733600000
   2.961900000
   1.389000000

   .020055481765
   .027773634118
   .051763142941
   .088865252941
   .131482682353
   .181153047059
   .345657523529
   .274671800000
   .827768647059
   .155610823529
  1.172975705882
   .361928941176
   .337256194118
   .023037134118
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  7108.70740      1301.30400      322.966710      79.0817650      15.6869030
   1315800.000
   146900.0000
   29370.00000
   7958.000000
   2607.000000
   973.3000000
   332.0000000
   146.3000000
   55.06000000
   29.59000000
   12.08000000
   6.531000000
   2.537000000
   1.371000000
   .6521000000
   .010422932000   .004310210400   .002081130800   .001062063500   .000492842350
   .036671734000   .015348535000   .007497861400   .003805245700   .001769502400
   .107395460000   .047772758000   .023290583000   .011941316000   .005542676700
   .257943510000   .119312640000   .059496818000   .030289193000   .014107874000
   .419324750000   .231410600000   .117051820000   .060779832000   .028267780000
   .332038830000   .167878310000   .086840612000   .043773855000   .020486066000
   .046201171000  -.413116490000  -.352349810000  -.203009950000  -.097817268000
  -.035697891000  -.647868840000  -.670390070000  -.429565750000  -.211143360000
   .012023170000  -.132735580000   .413687670000   .466499600000   .261493880000
   .009055516700   .043432665000   .834101820000  1.025525200000   .610532950000
   .000919991330  -.016454275000   .134465540000  -.578872310000  -.542988230000
  -.009488330700   .004665305900  -.028108455000  -.887247220000 -1.053717800000
   .002390287100  -.003661661200   .009250507400  -.089153587000   .642333470000
   .001080707000   .003681831400  -.004036489000   .017094744000   .797052560000
   .000429345890  -.000441562930   .001172414300  -.002803194500   .109213460000
   12    4
  1111.98400      268.294560      60.8223840      10.2135830
   10359.00000
   2419.000000
   804.8000000
   318.5000000
   140.3800000
   62.47000000
   30.35000000
   13.68200000
   6.721000000
   2.895000000
   1.389700000
   .6004000000
   .016186328000   .008570410100   .004425898300   .001942056700
   .086851676000   .048176809000   .024580881000   .010899678000
   .271828380000   .155536020000   .081700570000   .036062727000
   .453432770000   .280778440000   .146638570000   .065555979000
   .313143040000   .066998251000   .016793486000   .004087630300
   .048922625000  -.525429900000  -.447117420000  -.219308610000
  -.009267027000  -.511370260000  -.347636280000  -.163949780000
   .003635331300  -.088547467000   .562495470000   .419963920000
   .002879767400   .008348065700   .613123790000   .454412480000
  -.000224134280  -.003024049300   .086183607000  -.491526270000
  -.001417797600   .000230646670  -.006215980900  -.656230110000
  -.000203503910  -.000488191630   .001143934900  -.130562710000
   10    2
  212.474170      39.5763010
   773.6000000
   236.4000000
   92.74000000
   40.75000000
   18.01400000
   8.305000000
   3.774000000
   1.735200000
   .7656000000
   .3050000000
   .038452264000   .021205424000
   .199236860000   .110707950000
   .445091920000   .250955670000
   .414795640000   .127009260000
   .113692170000  -.400316100000
  -.001189252800  -.558155020000
   .002194546600  -.179550390000
  -.000698875090  -.005656912000
   .000829247240  -.001334779600
  -.000063662525   .000529381050
    5    1
  16.4462090
   115.1000000
   38.32000000
   15.16000000
   6.229000000
   2.421000000
   .065462966000
   .270117600000
   .468471840000
   .387073130000
   .115421720000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ATQR-4F
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.1.8. Group 0 Elements (Noble Gases)
********************************************************************************
*
/Ne.ECP.Barandiaran.5s5p1d.1s1p1d.8e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[He] val[2s,2p]     (51/511/1*)=2s3p1d recommended
*NEQR-SP(5/5/1)
  8.000000         2

    5    1
   518.0089460
   77.67631050
   17.07323640
   1.383061850
   .4261696040
  -.013737581900
  -.089416254800
  -.250278243000
   .635262190000
   .463129340000
    5    1
   55.31328590
   12.55203530
   3.713499030
   1.152688110
   .3323261070
   .016976429200
   .106693845000
   .320093765000
   .485664917000
   .334760648000
    1    1
   1.888000000
  1.000000000000
*
* Core AIMP: NEQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   241001.2500
   24676.08400
   4167.765000
   883.7256000
   227.2935500
   69.71358100
   24.10498900

   .005040354625
   .008350074250
   .017820525000
   .036244138750
   .068582497500
   .085050613750
   .028911793750
M2
    0
COREREP
   1.0
PROJOP
    0
    6    1
  65.6379530
   1789.100000
   325.3000000
   90.53000000
   30.76000000
   11.65000000
   4.345000000
   .012440129000
   .065258163000
   .209455740000
   .410922100000
   .377847980000
   .078020583000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NEQR-1S
End of Spectral Representation Operator

/Ar.ECP.Barandiaran.7s6p1d.1s1p1d.8e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*ARQR-SP(7/6/1)                (61/411/1)
  8.000000         2

    7    1
   1837.159980
   271.3337100
   60.04478590
   5.745015810
   2.843381230
   .5756279310
   .2087701330
   .004957322580
   .033374946000
   .099674893200
  -.314040310000
  -.284205823000
   .731332793000
   .456014906000
    6    1
   108.9440410
   24.82298210
   7.124179110
   .8535768450
   .3224973350
   .1209376150
  -.016176178000
  -.089737573800
  -.190805283000
   .435340817000
   .498940065000
   .197430014000
    1    1
   .6170000000
  1.000000000000
*
* Core AIMP: ARQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   250861.6300
   28302.02700
   5391.528100
   1328.821700
   391.0912200
   125.4002100
   35.52017400
   13.28638100
   5.594054100

   .015891591250
   .024361962500
   .047431576250
   .087562073750
   .141890825000
   .158137887500
   .249806400000
   .403915775000
   .121001907500
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  238.295640      24.8263210
   4449.000000
   794.3000000
   219.4000000
   74.93000000
   28.74000000
   8.433000000
   3.597000000
   1.467000000
   .018558910000   .005214661600
   .094233983000   .028968832000
   .282811130000   .091400339000
   .454623260000   .206189510000
   .280462750000   .162125550000
   .026033594000  -.408094890000
  -.005650130600  -.622595890000
   .001158776600  -.127236330000
    7    1
  19.1589350
   384.0000000
   99.04000000
   34.82000000
   14.13900000
   6.176000000
   2.801000000
   1.189000000
   .007489343900
   .044908105000
   .153253070000
   .320615220000
   .404185410000
   .239412540000
   .035509971000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ARQR-2P
End of Spectral Representation Operator

/Kr.ECP.Barandiaran.9s8p4d.1s1p2d.8e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*KRQR-SP(9/8/31)               (711/611/31)
  8.000000         2

    9    1
   9665.994930
   1319.938400
   279.2252520
   26.47989110
   9.989461400
   5.592418350
   2.465133140
   .4506557570
   .1711184550
  -.002063221260
  -.014329986400
  -.046805681600
   .207629365000
   .134145214000
  -.277537844000
  -.531740366000
   .784919491000
   .431986875000
    8    1
   633.6530120
   145.6827830
   44.49998510
   6.494776340
   3.000256580
   .6633169480
   .2706032220
   .1039423350
   .004958138620
   .031128298700
   .076254274000
  -.170028788000
  -.182798087000
   .398637015000
   .530232685000
   .222363928000
    4    2
   24.11300000
   6.243500000
   1.777260000
   .4430000000
   .279706468000   .000000000000
   .602428936000   .000000000000
   .377007229000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: KRQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   348300.0000
   49750.00000
   11130.00000
   3059.000000
   966.2000000
   307.2000000
   105.7000000
   43.85000000
   12.03000000
   5.432000000
   2.247000000

   .036565238750
   .047023906250
   .087576053750
   .151566587500
   .217887587500
   .269775275000
   .547180162500
   .427924062500
   .814511125000
   .789925537500
   .110064475000
M2
    0
COREREP
   1.0
PROJOP
    2
   10    3
  1059.98620      144.251610      22.4551560
   24700.00000
   4073.000000
   1077.700000
   358.4000000
   135.6000000
   39.97000000
   17.61000000
   6.651000000
   3.164000000
   1.378000000
   .016652891000   .005375473300   .002180553900
   .081987211000   .028774366000   .011607795000
   .255331330000   .093190525000   .038414171000
   .447187200000   .221597810000   .093538706000
   .324665570000   .198107500000   .091025415000
   .038690853000  -.453560410000  -.288229500000
  -.014988098000  -.622647970000  -.567262870000
   .006106359800  -.101931430000   .237548300000
  -.002385920800   .010573054000   .823613680000
   .001144914900  -.002224272700   .224213850000
    8    2
  127.203810      16.8373400
   1033.600000
   262.0000000
   91.11000000
   36.63000000
   15.96000000
   6.732000000
   2.934000000
   1.230000000
   .019748781000   .008064668900
   .110443600000   .047698659000
   .319767440000   .143479060000
   .460084820000   .227893230000
   .248304800000   .006370810900
   .029579491000  -.474390740000
  -.000231922240  -.515146720000
   .000112855660  -.118279160000
    6    1
  7.50304770
   96.99000000
   29.32000000
   11.14000000
   4.556000000
   1.901000000
   .7340000000
   .030499062000
   .149528310000
   .344117440000
   .427045840000
   .276354670000
   .060240896000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
KRQR-3D
End of Spectral Representation Operator

/Xe.ECP.Barandiaran.11s10p7d.1s1p2d.18e-CG-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
relativistic  core[Kr] val[4d,5s,5p]   (11,11/10,11/611*)=3s3p3d recommended
*XEQR-DSP(A1/A0/61)
 18.000000         2

   11    1
   31721.12480
   3815.091200
   741.2720160
   65.82226740
   21.97402550
   13.90019540
   6.448225900
   3.585978400
   1.633234760
   .3261759530
   .1300269140
   .001131447200
   .007914122900
   .027367880400
  -.135825687000
  -.106636001000
   .343337954000
   .330856624000
  -.338107821000
  -.729169245000
   .843686521000
   .426844235000
   10    1
   1743.403410
   393.5003450
   120.4279390
   17.55145580
   7.637363440
   4.169047980
   1.922469160
   .4221708010
   .1818783950
   .7468002920E-01
  -.002620795670
  -.017027399600
  -.044884325400
   .139472351000
   .097504794300
  -.198158900000
  -.313392610000
   .458756156000
   .521606368000
   .174890780000
    7    2
   221.7844080
   63.73082050
   22.29548240
   3.614437250
   1.527937640
   .6001807740
   .2970000000
  -.021029664700   .000000000000
  -.115751074000   .000000000000
  -.231048560000   .000000000000
   .474685303000   .000000000000
   .496754164000   .000000000000
   .151845656000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: XEQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   397600.0000
   63300.00000
   15310.00000
   4407.000000
   1392.000000
   431.4000000
   172.3000000
   49.46000000
   24.51000000
   5.576000000
   3.194000000
   1.622000000

   .025634207222
   .030583045000
   .055440218889
   .091332461111
   .119230861111
   .196880466667
   .286438300000
   .249588861111
   .538169961111
   .221926277778
   .173806644444
   .010968693333
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  2557.60480      405.546800      86.1194840      16.8716430
   83690.00000
   12160.00000
   2967.000000
   937.9000000
   344.3000000
   101.9000000
   45.53000000
   16.78000000
   8.850000000
   3.856000000
   1.970000000
   .9011000000
   .016541078000   .005825040800   .002638410400   .001204231400
   .076445694000   .029109319000   .013132945000   .005994904800
   .240721630000   .094259133000   .043416414000   .019887153000
   .442394520000   .226347950000   .106747970000   .049201121000
   .353209780000   .208814210000   .106174150000   .049679545000
   .048160532000  -.443785910000  -.335833940000  -.170807270000
  -.025004474000  -.631002680000  -.637522130000  -.352960040000
   .012343115000  -.116743900000   .374539200000   .295032510000
  -.004934927500   .031051076000   .827877270000   .955264140000
   .005283692100  -.011195039000   .143353970000  -.201502540000
  -.004111906000   .004456227300  -.008473421500  -.989269650000
   .000285184280  -.001350418300   .001812918300  -.231230120000
    9    3
  363.749770      72.2459950      12.2769180
   1779.000000
   441.5000000
   151.2000000
   60.14000000
   23.15000000
   10.37000000
   4.222000000
   1.964000000
   .8407000000
   .036847757000   .018154879000   .008049010200
   .189839390000   .094576297000   .042651946000
   .446392600000   .250318620000   .114187460000
   .423430420000   .183145790000   .079516135000
   .094131929000  -.419720620000  -.282555890000
  -.011654304000  -.612063710000  -.416861650000
   .004851528000  -.122773870000   .372204180000
  -.001554264000   .008708813500   .682259130000
   .000870385740  -.002296201500   .167651800000
    7    1
  51.5740520
   197.8000000
   59.73000000
   22.56000000
   9.417000000
   3.754000000
   1.540000000
   .5834000000
   .059942953000
   .270836700000
   .493760450000
   .348375060000
   .057509654000
  -.002584099600
   .000611045660
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
XEQR-4P
End of Spectral Representation Operator

/Rn.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.18e-CG-AIMP.
Z.Barandiaran, L.Seijo, J.Chem.Phys. 101(1994)4049; L.S. JCP 102(1995)8078.
relativistic  core[Xe,4f] val[5d,6s,6p]SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L.Seijo, JCP 102(1995)8078.
*
* - (5o) f orthogonality function is the 4f core orbital
*
*RNQR-DSP(A3/A2/71/5)-SO
 18.000000         3

   13    1
   1292474.800
   96293.95170
   12281.32860
   2461.762660
   222.6537920
   117.6977050
   37.98229120
   15.93446490
   7.442289590
   5.835857860
   1.689317180
   .3031005430
   .1208615580
   .000160013430
   .001069744260
   .005618341150
   .013012664300
  -.068016271900
  -.021227166800
   .263830173000
  -.012234501400
  -.867872313000
   .336020073000
   .982939842000
  -.913488270000
  -.367625707000
   12    1
   6319.570420
   1331.421780
   389.9073530
   56.77806430
   25.54417360
   15.84363270
   9.196560910
   2.351063780
   1.221582540
   .4118879490
   .1785159820
   .7286875200E-01
   .000758085019
   .009930089420
   .028060156900
  -.093901014100
  -.035053808600
   .087658222300
   .190928591000
  -.343107675000
  -.212017801000
   .423775724000
   .559437406000
   .208754346000
    8    2
   808.7407480
   233.3529430
   84.86569000
   17.83356030
   10.75093420
   2.072717090
   .7467995580
   .2470000000
   .008093680630   .000000000000
   .050217816400   .000000000000
   .113324119000   .000000000000
  -.148344042000   .000000000000
  -.243919315000   .000000000000
   .655236744000   .000000000000
   .455133496000   .000000000000
   .000000000000  1.000000000000
    5    1
   120.4100000
   40.20000000
   15.98000000
   6.613000000
   2.598000000
   .064397567000
   .267498830000
   .467303550000
   .388097700000
   .115449370000
*
* Core AIMP: RNQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   3618000.000
   462280.0000
   97007.00000
   25352.00000
   7651.100000
   2409.200000
   833.4800000
   332.5900000
   107.9130000
   42.88600000
   17.52900000
   6.508600000
   2.999900000
   1.377000000

   .019121812222
   .026579727222
   .049606378333
   .085080588889
   .124896333333
   .172593794444
   .331717344444
   .258533200000
   .801834666667
   .140762388889
  1.115041500000
   .339797405556
   .297553477778
   .014659131667
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  7308.76760      1343.64360      335.078560      82.9443160      16.8774570
   1377600.000
   152700.0000
   30370.00000
   8210.000000
   2688.000000
   1003.100000
   342.7000000
   150.9000000
   56.77000000
   30.50000000
   12.35000000
   6.707000000
   2.572000000
   1.371000000
   .6381000000
   .010697162000   .004444092700   .002148643500   .001100060700   .000515594230
   .037346568000   .015714632000   .007688128900   .003911528100   .001840500300
   .108508650000   .048515936000   .023684699000   .012186671000   .005710401100
   .258530800000   .120169120000   .060023637000   .030624103000   .014440447000
   .418486950000   .231371230000   .117106010000   .061049922000   .028641678000
   .331799560000   .165995420000   .085700612000   .043118054000   .020511756000
   .046194798000  -.413721880000  -.354114860000  -.204455310000  -.099919672000
  -.036309979000  -.647114280000  -.668559390000  -.430474960000  -.213410970000
   .012200042000  -.132144170000   .417570800000   .476418510000   .268982300000
   .009626808800   .043484281000   .832712540000  1.021201200000   .618918130000
   .000477644890  -.016459054000   .132988820000  -.603604840000  -.585993780000
  -.009561003800   .004393031800  -.029098509000  -.870464970000 -1.042676500000
   .002622297400  -.003226667900   .009334373400  -.082886936000   .741912860000
   .001101131100   .003486619700  -.003972051200   .016397986000   .746606360000
   .000345499370  -.000440397080   .001130848700  -.002647383000   .075751332000
   12    4
  1144.92110      277.906290      63.8591910      11.0942170
   10623.00000
   2477.000000
   824.5000000
   326.6000000
   144.1200000
   64.38000000
   31.34000000
   14.20300000
   7.010000000
   3.056000000
   1.481300000
   .6451000000
   .016436097000   .008732325100   .004524030400   .002015503100
   .087675887000   .048735225000   .024976367000   .011237053000
   .272782900000   .156534530000   .082516396000   .036976853000
   .453138860000   .280683410000   .147191560000   .066763373000
   .311932930000   .065894327000   .015770137000   .003633697800
   .048578267000  -.524302550000  -.448001420000  -.223423710000
  -.009345901100  -.511202810000  -.350369190000  -.167869350000
   .003662541000  -.089543650000   .559142830000   .426055780000
   .003065156800   .008428628400   .615676940000   .467272100000
  -.000254576650  -.003052449900   .088466356000  -.492819150000
  -.001484324900   .000177252890  -.006038161300  -.662856240000
  -.000213373560  -.000493858420   .001066679200  -.128593670000
   10    2
  220.352870      41.9192610
   808.2000000
   247.5000000
   97.22000000
   42.77000000
   18.98400000
   8.806000000
   4.043000000
   1.873200000
   .8353000000
   .3346000000
   .037315065000   .020691560000
   .194153980000   .108547260000
   .439863720000   .249662660000
   .419657290000   .135998530000
   .119560160000  -.387282890000
  -.000802056430  -.561963350000
   .002265287400  -.188813080000
  -.000723033150  -.007144988200
   .000873957600  -.001191879600
  -.000067576172   .000514973540
    5    1
  18.1491150
   120.4100000
   40.20000000
   15.98000000
   6.613000000
   2.598000000
   .064397567000
   .267498830000
   .467303550000
   .388097700000
   .115449370000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RNQR-4F
End of Spectral Representation Operator

*
*
*
********************************************************************************
*    C.1.2. Transition Metal Elements
********************************************************************************
*
********************************************************************************
*         C.1.2.1. First Series Transition Metal Elements
********************************************************************************
*
* - d diffuse functions for  (3d,4s)n  configurations from
*   P.J.Hay, J.Chem.Phys. 66(1977)4377.
*
********************************************************************************
*
/Sc.ECP.Barandiaran.9s6p6d.1s2p2d.9e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*SCQR2D-PDS(9/51/51)
  9.000000         2

    9    1
   2585.355020
   379.2400710
   83.92443370
   7.763260000
   3.072261580
   1.305117090
   .4952391670
   .7040923250E-01
   .2768149250E-01
  -.001341670230
  -.009064773360
  -.027532008900
   .116332086000
   .087821482100
  -.193218361000
  -.372310149000
   .700937110000
   .448154061000
    6    2
   168.6754780
   38.66119230
   11.32213240
   1.298631350
   .4347326510
   .6700000000E-01
  -.017352096500   .000000000000
  -.100944949000   .000000000000
  -.230109174000   .000000000000
   .610718585000   .000000000000
   .480928087000   .000000000000
   .000000000000  1.000000000000
    6    2
   19.40826630
   5.149424710
   1.659565380
   .5393024480
   .1611697960
   .5880000000E-01
   .026526295100   .000000000000
   .136371766000   .000000000000
   .347326958000   .000000000000
   .486855529000   .000000000000
   .347066148000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: SCQR2D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   265100.0000
   30510.00000
   5954.000000
   1473.000000
   432.9000000
   133.6600000
   38.63000000
   15.23600000
   3.157000000
   1.292700000

   .016886210000
   .025346717778
   .049354975556
   .091614961111
   .142723388889
   .153196433333
   .302799011111
   .348751044444
   .120372566667
   .082288023333
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  333.849130      38.5392760      5.18322450
   6134.000000
   1086.500000
   299.4000000
   102.5800000
   39.72000000
   11.17000000
   4.697000000
   1.576000000
   .7627000000
   .3303000000
   .018909243000   .005462627100   .001940414000
   .095192577000   .030575311000   .010768243000
   .284833740000   .094876080000   .034205143000
   .451571210000   .215849880000   .079257239000
   .280554530000   .158692240000   .063647179000
   .027231185000  -.487238780000  -.250154030000
  -.008713752800  -.600983530000  -.492726780000
   .004205526100  -.079693134000   .228419110000
  -.002403974400   .013923789000   .756694940000
   .000774882090  -.003316505300   .259403780000
    6    1
  31.3893540
   388.0000000
   98.90000000
   34.27000000
   13.55000000
   5.737000000
   2.375000000
   .013276469000
   .077144190000
   .241295810000
   .426055620000
   .359654500000
   .080825288000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SCQR2D-3S
End of Spectral Representation Operator

/Ti.ECP.Barandiaran.9s6p6d.1s2p2d.10e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*TIQR3F-PDS(9/51/51)
 10.000000         2

    9    1
   2866.391570
   419.2789180
   92.74846200
   8.663369800
   3.459088960
   1.463062870
   .5588778320
   .7828337980E-01
   .3025153260E-01
  -.001342063290
  -.009074569810
  -.027639455000
   .117151695000
   .083918874900
  -.194231014000
  -.357246998000
   .684717752000
   .460793422000
    6    2
   190.3145320
   43.67077230
   12.85323600
   1.491738830
   .4988432200
   .7300000000E-01
  -.017385888400   .000000000000
  -.102125705000   .000000000000
  -.235093681000   .000000000000
   .614442231000   .000000000000
   .477426952000   .000000000000
   .000000000000  1.000000000000
    6    2
   23.51654780
   6.330513980
   2.070363400
   .6865646910
   .2093152700
   .7200000000E-01
   .026343393200   .000000000000
   .137421358000   .000000000000
   .352640246000   .000000000000
   .486705737000   .000000000000
   .331950076000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: TIQR3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   265900.0000
   31760.00000
   6351.000000
   1595.300000
   473.7000000
   147.5100000
   43.10000000
   17.14700000
   3.561000000
   1.463900000

   .015863687000
   .023180023000
   .044827762000
   .082762486000
   .128275860000
   .137594620000
   .271557800000
   .313587050000
   .109200410000
   .073150294000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  369.039460      43.3198950      5.81154180
   6908.000000
   1218.900000
   335.1000000
   114.5600000
   44.26000000
   12.48000000
   5.280000000
   1.791000000
   .8609000000
   .3714000000
   .018567774000   .005418750400   .001956537600
   .093488432000   .030302941000   .010823446000
   .281334090000   .094507837000   .034632122000
   .451380950000   .216628090000   .080705233000
   .285569290000   .163246990000   .066706506000
   .028321321000  -.485793510000  -.256200260000
  -.009238411000  -.602352120000  -.499801640000
   .004368424600  -.080741968000   .241368470000
  -.002425073600   .013436823000   .756195570000
   .000796693160  -.003236153700   .253283210000
    6    1
  35.6586150
   454.0000000
   115.9000000
   40.08000000
   15.79000000
   6.648000000
   2.731000000
   .012199963000
   .071836821000
   .231613020000
   .424397130000
   .371255800000
   .085547308000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TIQR3F-3S
End of Spectral Representation Operator

/V.ECP.Barandiaran.9s6p6d.1s2p2d.11e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*VQR4F-PDS(9/51/51)
 11.000000         2

    9    1
   3184.576280
   464.0916620
   102.3909980
   9.639434600
   3.832082110
   1.679582060
   .6339377070
   .8512398510E-01
   .3237452150E-01
  -.001340847900
  -.009095342890
  -.027876220200
   .117748543000
   .084206900200
  -.190897332000
  -.349376036000
   .678884318000
   .461510346000
    6    2
   213.3902920
   49.02008070
   14.50045240
   1.699703650
   .5673832800
   .8000000000E-01
  -.017518289800   .000000000000
  -.103742975000   .000000000000
  -.240238428000   .000000000000
   .617131506000   .000000000000
   .474778519000   .000000000000
   .000000000000  1.000000000000
    6    2
   27.33309320
   7.429930540
   2.450862610
   .8193398060
   .2505941820
   .8200000000E-01
   .026785512000   .000000000000
   .140448331000   .000000000000
   .358061598000   .000000000000
   .484486769000   .000000000000
   .323507323000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: VQR4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   266000.0000
   31380.00000
   6263.000000
   1582.000000
   473.6000000
   147.2000000
   44.36000000
   18.16400000
   3.706000000
   1.574200000

   .015054287273
   .022160489091
   .042743483636
   .078537792727
   .119274909091
   .126248154545
   .256862627273
   .268235109091
   .101464936364
   .060327303636
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  406.013580      48.3358420      6.44990100
   7671.000000
   1348.600000
   370.2000000
   126.4800000
   48.85000000
   13.89000000
   5.906000000
   2.027000000
   .9671000000
   .4151000000
   .018454027000   .005443362500   .001989685700
   .092815559000   .030318243000   .010954908000
   .279665840000   .094869970000   .035201392000
   .451028020000   .217570560000   .082048452000
   .287954970000   .166412680000   .068973401000
   .028934218000  -.483402980000  -.260298940000
  -.009495220600  -.604459490000  -.505758300000
   .004378001600  -.082157734000   .247380870000
  -.002344484100   .012878678000   .757057390000
   .000792395060  -.003138751800   .251025670000
    6    1
  40.1495020
   478.0000000
   122.3000000
   42.57000000
   16.92000000
   7.190000000
   2.961000000
   .013234249000
   .076790971000
   .241296090000
   .428587080000
   .358341750000
   .077429925000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
VQR4F-3S
End of Spectral Representation Operator

/Cr.ECP.Barandiaran.9s6p6d.1s2p2d.12e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*CRQR7S-PDS(9/51/51)
 12.000000         2

    9    1
   3464.104300
   501.9140420
   111.0784420
   10.83730900
   4.789619970
   1.710683230
   .6649322320
   .8148803060E-01
   .3077708230E-01
  -.001257679460
  -.008526342960
  -.025870126100
   .103684794000
   .068620817500
  -.181703051000
  -.296269998000
   .662275538000
   .461888615000
    6    2
   237.9090880
   54.69149070
   16.22787010
   1.892998550
   .6137309600
   .7700000000E-01
  -.017133469900   .000000000000
  -.102298165000   .000000000000
  -.239654612000   .000000000000
   .617622226000   .000000000000
   .478217852000   .000000000000
   .000000000000  1.000000000000
    6    2
   27.60722190
   7.459927010
   2.424320230
   .7763978080
   .2175246500
   .9120000000E-01
   .030421051600   .000000000000
   .155421546000   .000000000000
   .369541091000   .000000000000
   .471132822000   .000000000000
   .341200130000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: CRQR7S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   289100.0000
   35800.00000
   7355.000000
   1884.100000
   564.8000000
   177.0700000
   52.17000000
   20.95400000
   4.266000000
   1.747700000

   .013871258333
   .019728793333
   .037714960833
   .069241275000
   .107093016667
   .115199625000
   .229278491667
   .257636141667
   .093831241667
   .056405195000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  444.364030      53.1307640      6.66538430
   8453.000000
   1480.200000
   405.3000000
   138.2100000
   53.35000000
   15.25000000
   6.478000000
   2.171000000
   1.015900000
   .4240000000
   .018436697000   .005483935600   .002016122000
   .092629066000   .030519992000   .011010531000
   .279615430000   .095648084000   .035685703000
   .451633060000   .219782490000   .082782763000
   .287907380000   .166859300000   .069983308000
   .028501620000  -.490467810000  -.268975680000
  -.009182336500  -.602856510000  -.501454540000
   .004000456400  -.077730295000   .298965490000
  -.002042852600   .012788888000   .736517740000
   .000718057330  -.003131563300   .226271330000
    6    1
  44.4118710
   543.7000000
   138.6000000
   48.02000000
   19.00000000
   8.032000000
   3.274000000
   .012584607000
   .074168576000
   .238019690000
   .430699340000
   .362485690000
   .076844387000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CRQR7S-3S
End of Spectral Representation Operator

/Mn.ECP.Barandiaran.9s6p6d.1s2p2d.13e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*MNQR6S-PDS(9/51/51)
 13.000000         2

    9    1
   3888.340980
   560.7479070
   122.9696800
   11.57831240
   4.302344300
   2.135919800
   .7769005900
   .9907048710E-01
   .3667180710E-01
  -.001284364690
  -.008778240230
  -.027227376900
   .118426515000
   .087174132800
  -.194530562000
  -.329596411000
   .659226873000
   .474241218000
    6    2
   262.8855280
   60.45360130
   17.99949800
   2.134057060
   .7083931560
   .9200000000E-01
  -.017355921900   .000000000000
  -.104242126000   .000000000000
  -.245194512000   .000000000000
   .619979807000   .000000000000
   .472888877000   .000000000000
   .000000000000  1.000000000000
    6    2
   35.35664760
   9.736753500
   3.247128820
   1.094517160
   .3345120450
   .1054000000
   .027046199900   .000000000000
   .144064786000   .000000000000
   .364121860000   .000000000000
   .481246096000   .000000000000
   .315489974000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: MNQR6S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   295500.0000
   38890.00000
   8285.000000
   2163.900000
   655.2000000
   208.6500000
   60.81000000
   24.09700000
   5.046000000
   2.046200000

   .013072373077
   .017783690000
   .033693174615
   .061631776154
   .096631684615
   .105539869231
   .202792307692
   .250127407692
   .084562907692
   .057241736154
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  485.340410      59.0873930      7.76366920
   9646.000000
   1680.600000
   458.3000000
   155.4800000
   59.60000000
   16.97000000
   7.274000000
   2.536000000
   1.195800000
   .5084000000
   .017626621000   .005286936300   .001967155600
   .088741036000   .029403879000   .010804904000
   .271441020000   .093221621000   .035202052000
   .450901540000   .217866180000   .083588413000
   .299669680000   .176229690000   .074349491000
   .031375731000  -.477265030000  -.265197710000
  -.010603792000  -.609438360000  -.514433710000
   .004725968000  -.085197096000   .253975900000
  -.002396259600   .012270359000   .757419630000
   .000844485950  -.003040571000   .250013080000
    6    1
  49.8038510
   594.7000000
   151.7000000
   52.65000000
   20.88000000
   8.849000000
   3.612000000
   .012642810000
   .074418527000
   .238785140000
   .431767190000
   .360591390000
   .075679155000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MNQR6S-3S
End of Spectral Representation Operator

/Fe.ECP.Barandiaran.9s6p6d.1s2p2d.14e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*FEQR5D-PDS(9/51/51)
 14.000000         2

    9    1
   4236.424400
   610.7133440
   133.9492630
   12.60524000
   4.484714790
   2.361963330
   .8526561650
   .1080916100
   .3940643130E-01
  -.001286023250
  -.008762431960
  -.027223698600
   .120499637000
   .090782356400
  -.203567269000
  -.320026661000
   .648055880000
   .484075196000
    6    2
   289.2993250
   66.57379870
   19.89051980
   2.373788080
   .7871153080
   .9800000000E-01
  -.017396202700   .000000000000
  -.104980080000   .000000000000
  -.247995702000   .000000000000
   .621856565000   .000000000000
   .471173316000   .000000000000
   .000000000000  1.000000000000
    6    2
   38.91054330
   10.75457590
   3.592240130
   1.203987780
   .3618918600
   .1133000000
   .027944112700   .000000000000
   .148777183000   .000000000000
   .368973510000   .000000000000
   .477273944000   .000000000000
   .315144113000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: FEQR5D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   311500.0000
   40180.00000
   8477.000000
   2208.300000
   669.7000000
   212.3600000
   63.20000000
   25.61000000
   5.293000000
   2.203500000

   .012417247857
   .017135861429
   .032513016429
   .059319070000
   .091416550000
   .098497857143
   .194940207143
   .221716564286
   .080036178571
   .049150301429
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  527.785490      64.9133810      8.49907410
   10441.00000
   1812.400000
   493.8000000
   167.7300000
   64.49000000
   18.51000000
   7.955000000
   2.781000000
   1.306200000
   .5545000000
   .017859090000   .005400804100   .002027795200
   .089633477000   .029919856000   .011074290000
   .273014860000   .094591599000   .036056034000
   .450483920000   .219762210000   .084983860000
   .297694910000   .175382900000   .074913624000
   .031115336000  -.481032470000  -.272224850000
  -.010588815000  -.607212900000  -.515745310000
   .004628206500  -.084263726000   .269544610000
  -.002276168900   .011956172000   .754094400000
   .000831756270  -.002976155800   .242333530000
    6    1
  55.0538150
   651.4000000
   165.9000000
   57.52000000
   22.82000000
   9.678000000
   3.940000000
   .012606840000
   .074527636000
   .239991920000
   .433656310000
   .358687810000
   .073668485000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FEQR5D-3S
End of Spectral Representation Operator

/Co.ECP.Barandiaran.9s6p6d.1s2p2d.15e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*COQR4F-PDS(9/51/51)
 15.000000         2

    9    1
   4662.387760
   668.1653380
   146.0056630
   13.66420240
   4.793883420
   2.509662820
   .9160441320
   .1177452230
   .4230352200E-01
  -.001265326610
  -.008659188470
  -.027093851600
   .121551831000
   .084677462100
  -.207726049000
  -.305681616000
   .631672264000
   .500044031000
    6    2
   317.5052130
   73.08149340
   21.88772620
   2.623296440
   .8683409190
   .1050000000
  -.017381053600   .000000000000
  -.105464711000   .000000000000
  -.250445705000   .000000000000
   .623231057000   .000000000000
   .469977426000   .000000000000
   .000000000000  1.000000000000
    6    2
   43.11518320
   11.95000490
   3.996230430
   1.335298840
   .3972473550
   .1219000000
   .028263420900   .000000000000
   .151278973000   .000000000000
   .371988400000   .000000000000
   .475039045000   .000000000000
   .314778110000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: COQR4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   304700.0000
   40480.00000
   8712.000000
   2302.500000
   705.6000000
   224.6300000
   67.63000000
   27.67500000
   5.699000000
   2.392000000

   .012140608000
   .016394419333
   .030922980667
   .056051978667
   .085542846667
   .091985160000
   .184184500000
   .203052533333
   .075426373333
   .044298593333
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  572.035690      70.9773520      9.24256490
   11461.00000
   1980.800000
   538.4000000
   182.5800000
   70.13000000
   20.20000000
   8.702000000
   3.055000000
   1.429100000
   .6047000000
   .017752963000   .005409204300   .002044838100
   .088965998000   .029886580000   .011131050000
   .271549200000   .094698089000   .036346379000
   .450317510000   .220518750000   .085835741000
   .299888390000   .177472160000   .076390951000
   .031613675000  -.480813870000  -.275738710000
  -.010860742000  -.607776680000  -.517965230000
   .004670067600  -.084645666000   .275978760000
  -.002231272500   .011711840000   .753195160000
   .000840394800  -.002925979100   .239557060000
    6    1
  60.5222430
   663.7000000
   169.1000000
   58.83000000
   23.51000000
   10.06100000
   4.097000000
   .014056112000
   .081931729000
   .255682340000
   .439742590000
   .338145350000
   .062945635000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
COQR4F-3S
End of Spectral Representation Operator

/Ni.ECP.Barandiaran.9s6p6d.1s2p2d.16e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*NIQR3F-PDS(9/51/51)
 16.000000         2

    9    1
   5089.646460
   725.7511020
   158.2903950
   14.85257060
   5.356303090
   2.688411560
   .9964027680
   .1263515120
   .4482618880E-01
  -.001251222060
  -.008584101580
  -.026916986800
   .120534022000
   .075991856800
  -.200503005000
  -.296500796000
   .622597831000
   .507154907000
    6    2
   346.8420380
   79.85038550
   23.97131840
   2.885001650
   .9532555660
   .1110000000
  -.017381888700   .000000000000
  -.105940706000   .000000000000
  -.252577070000   .000000000000
   .624146166000   .000000000000
   .469267691000   .000000000000
   .000000000000  1.000000000000
    6    2
   47.29872870
   13.15250580
   4.406537430
   1.469819060
   .4338973250
   .1316000000
   .028751524200   .000000000000
   .154065213000   .000000000000
   .374959912000   .000000000000
   .472780780000   .000000000000
   .313416264000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: NIQR3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   292600.0000
   39440.00000
   8560.000000
   2286.000000
   707.3000000
   223.7000000
   68.93000000
   28.77800000
   5.863000000
   2.520300000

   .012053829000
   .016134722687
   .030379572937
   .054538496000
   .081489587500
   .087280894375
   .181034846250
   .177485178750
   .072601148125
   .037001724125
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  618.117493      77.3015410      10.0080736
   12122.00000
   2094.000000
   571.1000000
   194.6000000
   75.15000000
   21.95000000
   9.480000000
   3.369000000
   1.567000000
   .6601000000
   .018345051800   .005640847570   .002143233200
   .091072515400   .030778994100   .011533857300
   .274504001000   .096719525100   .037340648300
   .449296458000   .222199383000   .087088300000
   .295778426000   .175637040000   .076168163100
   .031005080900  -.481907123000  -.279432474000
  -.010657766200  -.606805971000  -.519579529000
   .004468724380  -.085035888000   .275592065000
  -.002025673960   .010912386400   .754874779000
   .000808132150  -.002761866900   .240899367000
    6    1
  66.2295785
   679.2000000
   171.3000000
   59.02000000
   23.55000000
   10.11800000
   4.089000000
   .015531575900
   .091415978800
   .279308841000
   .450031079000
   .307585419000
   .048110009900
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NIQR3F-3S
End of Spectral Representation Operator

/Cu.ECP.Barandiaran.9s6p6d.1s2p2d.17e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*CUQR2D-PDS(9/51/51)
 17.000000         2

    9    1
   5598.918110
   793.2846440
   171.8563760
   16.07561560
   6.070919220
   2.800243640
   1.067587320
   .1351741530
   .4731224300E-01
  -.001217401450
  -.008390754400
  -.026688377000
   .119201054000
   .063549793500
  -.194161943000
  -.283069051000
   .614554650000
   .513974399000
    6    2
   378.1217330
   87.02380010
   26.16746250
   3.155653050
   1.040678150
   .1170000000
  -.017350472300   .000000000000
  -.106292353000   .000000000000
  -.254641590000   .000000000000
   .625414392000   .000000000000
   .468107219000   .000000000000
   .000000000000  1.000000000000
    6    2
   51.71110310
   14.42072630
   4.839672140
   1.612353830
   .4728070130
   .1491000000
   .029145344300   .000000000000
   .156403076000   .000000000000
   .377371881000   .000000000000
   .470868649000   .000000000000
   .312311302000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: CUQR2D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   323800.0000
   44740.00000
   9808.000000
   2633.000000
   818.1800000
   263.3300000
   79.87300000
   32.84000000
   6.769000000
   2.835600000

   .011146177176
   .014665895647
   .027598040118
   .049444577471
   .075036350000
   .080879497059
   .162068670000
   .179380022941
   .066921942353
   .038741179353
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  666.040580      83.8897990      10.7970650
   11610.00000
   2000.000000
   545.0000000
   187.0000000
   73.80000000
   24.80000000
   10.80000000
   4.090000000
   1.850000000
   .7580000000
   .021159811100   .006667480810   .002520607860
   .104425120000   .035166788000   .013366905600
   .303035115000   .111144680000   .042841611100
   .453606821000   .231215606000   .092545449800
   .252107333000   .157300758000   .067922571300
   .022217305400  -.451645276000  -.255761306000
  -.005764274330  -.625003977000  -.537052718000
   .001719350540  -.104174592000   .182524464000
  -.000362498690   .008919546820   .791626343000
   .000420531120  -.002536580230   .285891103000
    6    1
  72.1780310
   436.3473010
   110.6401190
   15.30121290
   38.25366400
   6.398400000
   1.797000000
   .035709613100
   .181589793000
   .424308308000
   .423681944000
   .121735805000
   .003944179570
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CUQR2D-3S
End of Spectral Representation Operator

/Zn.ECP.Barandiaran.9s6p5d.1s2p1d.18e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/511)=3s3p3d recomended
*ZNQR1S-PDS(9/51/5)
 18.000000         2

    9    1
   6050.717480
   857.2124820
   185.3081730
   17.28532200
   6.116064930
   3.112983680
   1.160116390
   .1427804900
   .4940965170E-01
  -.001213900720
  -.008310687100
  -.026614474800
   .119944774000
   .069731266400
  -.198648420000
  -.278865559000
   .611116681000
   .515035926000
    6    2
   410.4944170
   94.47335590
   28.45851260
   3.439429860
   1.131802430
   .1230000000
  -.017306352200   .000000000000
  -.106437158000   .000000000000
  -.255990172000   .000000000000
   .626069722000   .000000000000
   .467724226000   .000000000000
   .000000000000  1.000000000000
    5    1
   56.35081000
   15.75820370
   5.297789260
   1.764375210
   .5152591020
   .029472203800
   .158352767000
   .379449222000
   .469330215000
   .310770822000
*
* Core AIMP: ZNQR1S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   315500.0000
   45000.00000
   10055.00000
   2733.200000
   856.9000000
   276.6100000
   84.77000000
   35.10800000
   7.217000000
   3.042600000

   .010992848889
   .014133644444
   .026499588889
   .047223192778
   .071017400000
   .076433238889
   .154968244444
   .166289927778
   .063651455556
   .035457126667
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  715.800260      90.7298870      11.6002780
   14966.00000
   2550.000000
   687.6000000
   231.8900000
   88.74000000
   25.76000000
   11.15700000
   3.950000000
   1.828500000
   .7667000000
   .017441759000   .005422947500   .002080983500
   .086978106000   .029729712000   .011232164000
   .267142980000   .094754980000   .036924359000
   .449782410000   .222274460000   .087820350000
   .306623870000   .183226240000   .080138732000
   .033112161000  -.479610090000  -.283715130000
  -.011704815000  -.609714570000  -.522246730000
   .004811776000  -.085841425000   .290407310000
  -.002109298400   .011277626000   .750266980000
   .000875700850  -.002829144300   .233852670000
    6    1
  78.3537610
   809.7000000
   206.5000000
   72.13000000
   28.99000000
   12.45300000
   5.015000000
   .014982033000
   .086414054000
   .265668250000
   .445144120000
   .324028620000
   .054824181000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ZNQR1S-3S
End of Spectral Representation Operator

*
********************************************************************************
*
* - d-diffuse functions for  (3d,4s)n  configurations from
*   P.J.Hay, J.Chem.Phys. 66(1977)4377.
* - f-pol (1-STO) via maximum overlap with d radial function; then 1STO->3GTO
*
********************************************************************************
*
/Sc.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.9e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*SCQR2D-PDS(9/51/51)
  9.000000         3

    9    1
   2585.355020
   379.2400710
   83.92443370
   7.763260000
   3.072261580
   1.305117090
   .4952391670
   .7040923250E-01
   .2768149250E-01
  -.001341670230
  -.009064773360
  -.027532008900
   .116332086000
   .087821482100
  -.193218361000
  -.372310149000
   .700937110000
   .448154061000
    6    2
   168.6754780
   38.66119230
   11.32213240
   1.298631350
   .4347326510
   .6700000000E-01
  -.017352096500   .000000000000
  -.100944949000   .000000000000
  -.230109174000   .000000000000
   .610718585000   .000000000000
   .480928087000   .000000000000
   .000000000000  1.000000000000
    6    2
   19.40826630
   5.149424710
   1.659565380
   .5393024480
   .1611697960
   .5880000000E-01
   .026526295100   .000000000000
   .136371766000   .000000000000
   .347326958000   .000000000000
   .486855529000   .000000000000
   .347066148000   .000000000000
   .000000000000  1.000000000000
    3    1
 0.8918597
 0.3198414
 0.1369599
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: SCQR2D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   265100.0000
   30510.00000
   5954.000000
   1473.000000
   432.9000000
   133.6600000
   38.63000000
   15.23600000
   3.157000000
   1.292700000

   .016886210000
   .025346717778
   .049354975556
   .091614961111
   .142723388889
   .153196433333
   .302799011111
   .348751044444
   .120372566667
   .082288023333
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  333.849130      38.5392760      5.18322450
   6134.000000
   1086.500000
   299.4000000
   102.5800000
   39.72000000
   11.17000000
   4.697000000
   1.576000000
   .7627000000
   .3303000000
   .018909243000   .005462627100   .001940414000
   .095192577000   .030575311000   .010768243000
   .284833740000   .094876080000   .034205143000
   .451571210000   .215849880000   .079257239000
   .280554530000   .158692240000   .063647179000
   .027231185000  -.487238780000  -.250154030000
  -.008713752800  -.600983530000  -.492726780000
   .004205526100  -.079693134000   .228419110000
  -.002403974400   .013923789000   .756694940000
   .000774882090  -.003316505300   .259403780000
    6    1
  31.3893540
   388.0000000
   98.90000000
   34.27000000
   13.55000000
   5.737000000
   2.375000000
   .013276469000
   .077144190000
   .241295810000
   .426055620000
   .359654500000
   .080825288000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SCQR2D-3S
End of Spectral Representation Operator

/Ti.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.10e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*TIQR3F-PDS(9/51/51)
 10.000000         3

    9    1
   2866.391570
   419.2789180
   92.74846200
   8.663369800
   3.459088960
   1.463062870
   .5588778320
   .7828337980E-01
   .3025153260E-01
  -.001342063290
  -.009074569810
  -.027639455000
   .117151695000
   .083918874900
  -.194231014000
  -.357246998000
   .684717752000
   .460793422000
    6    2
   190.3145320
   43.67077230
   12.85323600
   1.491738830
   .4988432200
   .7300000000E-01
  -.017385888400   .000000000000
  -.102125705000   .000000000000
  -.235093681000   .000000000000
   .614442231000   .000000000000
   .477426952000   .000000000000
   .000000000000  1.000000000000
    6    2
   23.51654780
   6.330513980
   2.070363400
   .6865646910
   .2093152700
   .7200000000E-01
   .026343393200   .000000000000
   .137421358000   .000000000000
   .352640246000   .000000000000
   .486705737000   .000000000000
   .331950076000   .000000000000
   .000000000000  1.000000000000
    3    1
 1.3935308
 0.4997522
 0.2139998
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: TIQR3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   265900.0000
   31760.00000
   6351.000000
   1595.300000
   473.7000000
   147.5100000
   43.10000000
   17.14700000
   3.561000000
   1.463900000

   .015863687000
   .023180023000
   .044827762000
   .082762486000
   .128275860000
   .137594620000
   .271557800000
   .313587050000
   .109200410000
   .073150294000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  369.039460      43.3198950      5.81154180
   6908.000000
   1218.900000
   335.1000000
   114.5600000
   44.26000000
   12.48000000
   5.280000000
   1.791000000
   .8609000000
   .3714000000
   .018567774000   .005418750400   .001956537600
   .093488432000   .030302941000   .010823446000
   .281334090000   .094507837000   .034632122000
   .451380950000   .216628090000   .080705233000
   .285569290000   .163246990000   .066706506000
   .028321321000  -.485793510000  -.256200260000
  -.009238411000  -.602352120000  -.499801640000
   .004368424600  -.080741968000   .241368470000
  -.002425073600   .013436823000   .756195570000
   .000796693160  -.003236153700   .253283210000
    6    1
  35.6586150
   454.0000000
   115.9000000
   40.08000000
   15.79000000
   6.648000000
   2.731000000
   .012199963000
   .071836821000
   .231613020000
   .424397130000
   .371255800000
   .085547308000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TIQR3F-3S
End of Spectral Representation Operator

/V.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.11e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*VQR4F-PDS(9/51/51)
 11.000000         3

    9    1
   3184.576280
   464.0916620
   102.3909980
   9.639434600
   3.832082110
   1.679582060
   .6339377070
   .8512398510E-01
   .3237452150E-01
  -.001340847900
  -.009095342890
  -.027876220200
   .117748543000
   .084206900200
  -.190897332000
  -.349376036000
   .678884318000
   .461510346000
    6    2
   213.3902920
   49.02008070
   14.50045240
   1.699703650
   .5673832800
   .8000000000E-01
  -.017518289800   .000000000000
  -.103742975000   .000000000000
  -.240238428000   .000000000000
   .617131506000   .000000000000
   .474778519000   .000000000000
   .000000000000  1.000000000000
    6    2
   27.33309320
   7.429930540
   2.450862610
   .8193398060
   .2505941820
   .8200000000E-01
   .026785512000   .000000000000
   .140448331000   .000000000000
   .358061598000   .000000000000
   .484486769000   .000000000000
   .323507323000   .000000000000
   .000000000000  1.000000000000
    3    1
 2.0066843
 0.7196432
 0.3081598
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: VQR4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   266000.0000
   31380.00000
   6263.000000
   1582.000000
   473.6000000
   147.2000000
   44.36000000
   18.16400000
   3.706000000
   1.574200000

   .015054287273
   .022160489091
   .042743483636
   .078537792727
   .119274909091
   .126248154545
   .256862627273
   .268235109091
   .101464936364
   .060327303636
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  406.013580      48.3358420      6.44990100
   7671.000000
   1348.600000
   370.2000000
   126.4800000
   48.85000000
   13.89000000
   5.906000000
   2.027000000
   .9671000000
   .4151000000
   .018454027000   .005443362500   .001989685700
   .092815559000   .030318243000   .010954908000
   .279665840000   .094869970000   .035201392000
   .451028020000   .217570560000   .082048452000
   .287954970000   .166412680000   .068973401000
   .028934218000  -.483402980000  -.260298940000
  -.009495220600  -.604459490000  -.505758300000
   .004378001600  -.082157734000   .247380870000
  -.002344484100   .012878678000   .757057390000
   .000792395060  -.003138751800   .251025670000
    6    1
  40.1495020
   478.0000000
   122.3000000
   42.57000000
   16.92000000
   7.190000000
   2.961000000
   .013234249000
   .076790971000
   .241296090000
   .428587080000
   .358341750000
   .077429925000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
VQR4F-3S
End of Spectral Representation Operator

/Cr.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.12e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*CRQR7S-PDS(9/51/51)
 12.000000         3

    9    1
   3464.104300
   501.9140420
   111.0784420
   10.83730900
   4.789619970
   1.710683230
   .6649322320
   .8148803060E-01
   .3077708230E-01
  -.001257679460
  -.008526342960
  -.025870126100
   .103684794000
   .068620817500
  -.181703051000
  -.296269998000
   .662275538000
   .461888615000
    6    2
   237.9090880
   54.69149070
   16.22787010
   1.892998550
   .6137309600
   .7700000000E-01
  -.017133469900   .000000000000
  -.102298165000   .000000000000
  -.239654612000   .000000000000
   .617622226000   .000000000000
   .478217852000   .000000000000
   .000000000000  1.000000000000
    6    2
   27.60722190
   7.459927010
   2.424320230
   .7763978080
   .2175246500
   .9120000000E-01
   .030421051600   .000000000000
   .155421546000   .000000000000
   .369541091000   .000000000000
   .471132822000   .000000000000
   .341200130000   .000000000000
   .000000000000  1.000000000000
    3    1
 2.7313203
 0.9795143
 0.4194397
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: CRQR7S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   289100.0000
   35800.00000
   7355.000000
   1884.100000
   564.8000000
   177.0700000
   52.17000000
   20.95400000
   4.266000000
   1.747700000

   .013871258333
   .019728793333
   .037714960833
   .069241275000
   .107093016667
   .115199625000
   .229278491667
   .257636141667
   .093831241667
   .056405195000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  444.364030      53.1307640      6.66538430
   8453.000000
   1480.200000
   405.3000000
   138.2100000
   53.35000000
   15.25000000
   6.478000000
   2.171000000
   1.015900000
   .4240000000
   .018436697000   .005483935600   .002016122000
   .092629066000   .030519992000   .011010531000
   .279615430000   .095648084000   .035685703000
   .451633060000   .219782490000   .082782763000
   .287907380000   .166859300000   .069983308000
   .028501620000  -.490467810000  -.268975680000
  -.009182336500  -.602856510000  -.501454540000
   .004000456400  -.077730295000   .298965490000
  -.002042852600   .012788888000   .736517740000
   .000718057330  -.003131563300   .226271330000
    6    1
  44.4118710
   543.7000000
   138.6000000
   48.02000000
   19.00000000
   8.032000000
   3.274000000
   .012584607000
   .074168576000
   .238019690000
   .430699340000
   .362485690000
   .076844387000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CRQR7S-3S
End of Spectral Representation Operator

/Mn.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.13e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*MNQR6S-PDS(9/51/51)
 13.000000         3

    9    1
   3888.340980
   560.7479070
   122.9696800
   11.57831240
   4.302344300
   2.135919800
   .7769005900
   .9907048710E-01
   .3667180710E-01
  -.001284364690
  -.008778240230
  -.027227376900
   .118426515000
   .087174132800
  -.194530562000
  -.329596411000
   .659226873000
   .474241218000
    6    2
   262.8855280
   60.45360130
   17.99949800
   2.134057060
   .7083931560
   .9200000000E-01
  -.017355921900   .000000000000
  -.104242126000   .000000000000
  -.245194512000   .000000000000
   .619979807000   .000000000000
   .472888877000   .000000000000
   .000000000000  1.000000000000
    6    2
   35.35664760
   9.736753500
   3.247128820
   1.094517160
   .3345120450
   .1054000000
   .027046199900   .000000000000
   .144064786000   .000000000000
   .364121860000   .000000000000
   .481246096000   .000000000000
   .315489974000   .000000000000
   .000000000000  1.000000000000
    3    1
 3.5674388
 1.2793657
 0.5478396
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: MNQR6S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   295500.0000
   38890.00000
   8285.000000
   2163.900000
   655.2000000
   208.6500000
   60.81000000
   24.09700000
   5.046000000
   2.046200000

   .013072373077
   .017783690000
   .033693174615
   .061631776154
   .096631684615
   .105539869231
   .202792307692
   .250127407692
   .084562907692
   .057241736154
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  485.340410      59.0873930      7.76366920
   9646.000000
   1680.600000
   458.3000000
   155.4800000
   59.60000000
   16.97000000
   7.274000000
   2.536000000
   1.195800000
   .5084000000
   .017626621000   .005286936300   .001967155600
   .088741036000   .029403879000   .010804904000
   .271441020000   .093221621000   .035202052000
   .450901540000   .217866180000   .083588413000
   .299669680000   .176229690000   .074349491000
   .031375731000  -.477265030000  -.265197710000
  -.010603792000  -.609438360000  -.514433710000
   .004725968000  -.085197096000   .253975900000
  -.002396259600   .012270359000   .757419630000
   .000844485950  -.003040571000   .250013080000
    6    1
  49.8038510
   594.7000000
   151.7000000
   52.65000000
   20.88000000
   8.849000000
   3.612000000
   .012642810000
   .074418527000
   .238785140000
   .431767190000
   .360591390000
   .075679155000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MNQR6S-3S
End of Spectral Representation Operator

/Fe.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.14e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*FEQR5D-PDS(9/51/51)
 14.000000         3

    9    1
   4236.424400
   610.7133440
   133.9492630
   12.60524000
   4.484714790
   2.361963330
   .8526561650
   .1080916100
   .3940643130E-01
  -.001286023250
  -.008762431960
  -.027223698600
   .120499637000
   .090782356400
  -.203567269000
  -.320026661000
   .648055880000
   .484075196000
    6    2
   289.2993250
   66.57379870
   19.89051980
   2.373788080
   .7871153080
   .9800000000E-01
  -.017396202700   .000000000000
  -.104980080000   .000000000000
  -.247995702000   .000000000000
   .621856565000   .000000000000
   .471173316000   .000000000000
   .000000000000  1.000000000000
    6    2
   38.91054330
   10.75457590
   3.592240130
   1.203987780
   .3618918600
   .1133000000
   .027944112700   .000000000000
   .148777183000   .000000000000
   .368973510000   .000000000000
   .477273944000   .000000000000
   .315144113000   .000000000000
   .000000000000  1.000000000000
    3    1
 4.5150397
 1.6191972
 0.6933595
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: FEQR5D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   311500.0000
   40180.00000
   8477.000000
   2208.300000
   669.7000000
   212.3600000
   63.20000000
   25.61000000
   5.293000000
   2.203500000

   .012417247857
   .017135861429
   .032513016429
   .059319070000
   .091416550000
   .098497857143
   .194940207143
   .221716564286
   .080036178571
   .049150301429
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  527.785490      64.9133810      8.49907410
   10441.00000
   1812.400000
   493.8000000
   167.7300000
   64.49000000
   18.51000000
   7.955000000
   2.781000000
   1.306200000
   .5545000000
   .017859090000   .005400804100   .002027795200
   .089633477000   .029919856000   .011074290000
   .273014860000   .094591599000   .036056034000
   .450483920000   .219762210000   .084983860000
   .297694910000   .175382900000   .074913624000
   .031115336000  -.481032470000  -.272224850000
  -.010588815000  -.607212900000  -.515745310000
   .004628206500  -.084263726000   .269544610000
  -.002276168900   .011956172000   .754094400000
   .000831756270  -.002976155800   .242333530000
    6    1
  55.0538150
   651.4000000
   165.9000000
   57.52000000
   22.82000000
   9.678000000
   3.940000000
   .012606840000
   .074527636000
   .239991920000
   .433656310000
   .358687810000
   .073668485000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FEQR5D-3S
End of Spectral Representation Operator

/Co.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.15e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*COQR4F-PDS(9/51/51)
 15.000000         3

    9    1
   4662.387760
   668.1653380
   146.0056630
   13.66420240
   4.793883420
   2.509662820
   .9160441320
   .1177452230
   .4230352200E-01
  -.001265326610
  -.008659188470
  -.027093851600
   .121551831000
   .084677462100
  -.207726049000
  -.305681616000
   .631672264000
   .500044031000
    6    2
   317.5052130
   73.08149340
   21.88772620
   2.623296440
   .8683409190
   .1050000000
  -.017381053600   .000000000000
  -.105464711000   .000000000000
  -.250445705000   .000000000000
   .623231057000   .000000000000
   .469977426000   .000000000000
   .000000000000  1.000000000000
    6    2
   43.11518320
   11.95000490
   3.996230430
   1.335298840
   .3972473550
   .1219000000
   .028263420900   .000000000000
   .151278973000   .000000000000
   .371988400000   .000000000000
   .475039045000   .000000000000
   .314778110000   .000000000000
   .000000000000  1.000000000000
    3    1
 5.5741231
 1.9990089
 0.8559993
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: COQR4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   304700.0000
   40480.00000
   8712.000000
   2302.500000
   705.6000000
   224.6300000
   67.63000000
   27.67500000
   5.699000000
   2.392000000

   .012140608000
   .016394419333
   .030922980667
   .056051978667
   .085542846667
   .091985160000
   .184184500000
   .203052533333
   .075426373333
   .044298593333
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  572.035690      70.9773520      9.24256490
   11461.00000
   1980.800000
   538.4000000
   182.5800000
   70.13000000
   20.20000000
   8.702000000
   3.055000000
   1.429100000
   .6047000000
   .017752963000   .005409204300   .002044838100
   .088965998000   .029886580000   .011131050000
   .271549200000   .094698089000   .036346379000
   .450317510000   .220518750000   .085835741000
   .299888390000   .177472160000   .076390951000
   .031613675000  -.480813870000  -.275738710000
  -.010860742000  -.607776680000  -.517965230000
   .004670067600  -.084645666000   .275978760000
  -.002231272500   .011711840000   .753195160000
   .000840394800  -.002925979100   .239557060000
    6    1
  60.5222430
   663.7000000
   169.1000000
   58.83000000
   23.51000000
   10.06100000
   4.097000000
   .014056112000
   .081931729000
   .255682340000
   .439742590000
   .338145350000
   .062945635000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
COQR4F-3S
End of Spectral Representation Operator

/Ni.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.16e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*NIQR3F-PDS(9/51/51)
 16.000000         3

    9    1
   5089.646460
   725.7511020
   158.2903950
   14.85257060
   5.356303090
   2.688411560
   .9964027680
   .1263515120
   .4482618880E-01
  -.001251222060
  -.008584101580
  -.026916986800
   .120534022000
   .075991856800
  -.200503005000
  -.296500796000
   .622597831000
   .507154907000
    6    2
   346.8420380
   79.85038550
   23.97131840
   2.885001650
   .9532555660
   .1110000000
  -.017381888700   .000000000000
  -.105940706000   .000000000000
  -.252577070000   .000000000000
   .624146166000   .000000000000
   .469267691000   .000000000000
   .000000000000  1.000000000000
    6    2
   47.29872870
   13.15250580
   4.406537430
   1.469819060
   .4338973250
   .1316000000
   .028751524200   .000000000000
   .154065213000   .000000000000
   .374959912000   .000000000000
   .472780780000   .000000000000
   .313416264000   .000000000000
   .000000000000  1.000000000000
    3    1
 6.7446890
 2.4188007
 1.0357592
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: NIQR3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   292600.0000
   39440.00000
   8560.000000
   2286.000000
   707.3000000
   223.7000000
   68.93000000
   28.77800000
   5.863000000
   2.520300000

   .012053829000
   .016134722687
   .030379572937
   .054538496000
   .081489587500
   .087280894375
   .181034846250
   .177485178750
   .072601148125
   .037001724125
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  618.117493      77.3015410      10.0080736
   12122.00000
   2094.000000
   571.1000000
   194.6000000
   75.15000000
   21.95000000
   9.480000000
   3.369000000
   1.567000000
   .6601000000
   .018345051800   .005640847570   .002143233200
   .091072515400   .030778994100   .011533857300
   .274504001000   .096719525100   .037340648300
   .449296458000   .222199383000   .087088300000
   .295778426000   .175637040000   .076168163100
   .031005080900  -.481907123000  -.279432474000
  -.010657766200  -.606805971000  -.519579529000
   .004468724380  -.085035888000   .275592065000
  -.002025673960   .010912386400   .754874779000
   .000808132150  -.002761866900   .240899367000
    6    1
  66.2295785
   679.2000000
   171.3000000
   59.02000000
   23.55000000
   10.11800000
   4.089000000
   .015531575900
   .091415978800
   .279308841000
   .450031079000
   .307585419000
   .048110009900
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NIQR3F-3S
End of Spectral Representation Operator

/Cu.ECP.Barandiaran.9s6p6d3f.1s2p2d1f.17e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*CUQR2D-PDS(9/51/51)
 17.000000         3

    9    1
   5598.918110
   793.2846440
   171.8563760
   16.07561560
   6.070919220
   2.800243640
   1.067587320
   .1351741530
   .4731224300E-01
  -.001217401450
  -.008390754400
  -.026688377000
   .119201054000
   .063549793500
  -.194161943000
  -.283069051000
   .614554650000
   .513974399000
    6    2
   378.1217330
   87.02380010
   26.16746250
   3.155653050
   1.040678150
   .1170000000
  -.017350472300   .000000000000
  -.106292353000   .000000000000
  -.254641590000   .000000000000
   .625414392000   .000000000000
   .468107219000   .000000000000
   .000000000000  1.000000000000
    6    2
   51.71110310
   14.42072630
   4.839672140
   1.612353830
   .4728070130
   .1491000000
   .029145344300   .000000000000
   .156403076000   .000000000000
   .377371881000   .000000000000
   .470868649000   .000000000000
   .312311302000   .000000000000
   .000000000000  1.000000000000
    3    1
 8.0267373
 2.8785728
 1.2326309
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: CUQR2D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   323800.0000
   44740.00000
   9808.000000
   2633.000000
   818.1800000
   263.3300000
   79.87300000
   32.84000000
   6.769000000
   2.835600000

   .011146177176
   .014665895647
   .027598040118
   .049444577471
   .075036350000
   .080879497059
   .162068670000
   .179380022941
   .066921942353
   .038741179353
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  666.040580      83.8897990      10.7970650
   11610.00000
   2000.000000
   545.0000000
   187.0000000
   73.80000000
   24.80000000
   10.80000000
   4.090000000
   1.850000000
   .7580000000
   .021159811100   .006667480810   .002520607860
   .104425120000   .035166788000   .013366905600
   .303035115000   .111144680000   .042841611100
   .453606821000   .231215606000   .092545449800
   .252107333000   .157300758000   .067922571300
   .022217305400  -.451645276000  -.255761306000
  -.005764274330  -.625003977000  -.537052718000
   .001719350540  -.104174592000   .182524464000
  -.000362498690   .008919546820   .791626343000
   .000420531120  -.002536580230   .285891103000
    6    1
  72.1780310
   436.3473010
   110.6401190
   15.30121290
   38.25366400
   6.398400000
   1.797000000
   .035709613100
   .181589793000
   .424308308000
   .423681944000
   .121735805000
   .003944179570
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CUQR2D-3S
End of Spectral Representation Operator

/Zn.ECP.Barandiaran.9s6p5d3f.1s2p1d1f.18e-CG-AIMP.
Z.Barandiaran and L.Seijo, Can.J.Chem. 70(1992)409.
relativistic  core[Mg] val[3p,4s,3d]     (911/511*/511)=3s3p3d recomended
*ZNQR1S-PDS(9/51/5)
 18.000000         3

    9    1
   6050.717480
   857.2124820
   185.3081730
   17.28532200
   6.116064930
   3.112983680
   1.160116390
   .1427804900
   .4940965170E-01
  -.001213900720
  -.008310687100
  -.026614474800
   .119944774000
   .069731266400
  -.198648420000
  -.278865559000
   .611116681000
   .515035926000
    6    2
   410.4944170
   94.47335590
   28.45851260
   3.439429860
   1.131802430
   .1230000000
  -.017306352200   .000000000000
  -.106437158000   .000000000000
  -.255990172000   .000000000000
   .626069722000   .000000000000
   .467724226000   .000000000000
   .000000000000  1.000000000000
    5    1
   56.35081000
   15.75820370
   5.297789260
   1.764375210
   .5152591020
   .029472203800
   .158352767000
   .379449222000
   .469330215000
   .310770822000
    3    1
 9.4202681
 3.3783250
 1.4466388
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: ZNQR1S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   315500.0000
   45000.00000
   10055.00000
   2733.200000
   856.9000000
   276.6100000
   84.77000000
   35.10800000
   7.217000000
   3.042600000

   .010992848889
   .014133644444
   .026499588889
   .047223192778
   .071017400000
   .076433238889
   .154968244444
   .166289927778
   .063651455556
   .035457126667
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  715.800260      90.7298870      11.6002780
   14966.00000
   2550.000000
   687.6000000
   231.8900000
   88.74000000
   25.76000000
   11.15700000
   3.950000000
   1.828500000
   .7667000000
   .017441759000   .005422947500   .002080983500
   .086978106000   .029729712000   .011232164000
   .267142980000   .094754980000   .036924359000
   .449782410000   .222274460000   .087820350000
   .306623870000   .183226240000   .080138732000
   .033112161000  -.479610090000  -.283715130000
  -.011704815000  -.609714570000  -.522246730000
   .004811776000  -.085841425000   .290407310000
  -.002109298400   .011277626000   .750266980000
   .000875700850  -.002829144300   .233852670000
    6    1
  78.3537610
   809.7000000
   206.5000000
   72.13000000
   28.99000000
   12.45300000
   5.015000000
   .014982033000
   .086414054000
   .265668250000
   .445144120000
   .324028620000
   .054824181000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ZNQR1S-3S
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.2.2. Second Series Transition Metal Elements
********************************************************************************
*
* - d diffuse functions for  (4d,5s)n  configurations from
*   S.P.Walch, Ch.W.Bauschlicher, Jr., and C.J.Nelin, J.Chem.Phys. 79(1983)3600.
*
********************************************************************************
*
/Y.ECP.Barandiaran.11s8p7d.1s2p2d.9e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*YQR2D-PDS(A1/71/61)
  9.000000         2

   11    1
   11780.26620
   1581.698390
   332.9744130
   32.46506950
   14.58111210
   5.541825850
   2.718202630
   .9071977620
   .3971471990
   .6287188660E-01
   .2545032000E-01
   .000653835821
   .004548214530
   .014795118000
  -.063967443000
  -.030534004600
   .121613683000
   .166799986000
  -.216028177000
  -.441992860000
   .724853931000
   .449797179000
    8    2
   770.3180620
   176.6800460
   54.05224290
   8.305175940
   4.349613910
   .8203002190
   .2988208000
   .5600000000E-01
   .006262044230   .000000000000
   .039670116800   .000000000000
   .098441978700   .000000000000
  -.192736658000   .000000000000
  -.234104174000   .000000000000
   .665345358000   .000000000000
   .451269540000   .000000000000
   .000000000000  1.000000000000
    7    2
   79.67964610
   22.28106600
   7.266894900
   .8546457190
   .2869656210
   .8877811890E-01
   .3160000000E-01
  -.013653790600   .000000000000
  -.065371816800   .000000000000
  -.114010891000   .000000000000
   .318660730000   .000000000000
   .530437736000   .000000000000
   .376082060000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: YQR2D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   300200.0000
   38340.00000
   8044.000000
   2116.000000
   627.4000000
   184.2000000
   72.53000000
   18.91000000
   8.430000000
   2.661000000
   1.005900000

   .040178936667
   .056393030000
   .107498014444
   .182950477778
   .232532033333
   .402352288889
   .524388200000
   .569388888889
   .911024988889
   .207726944444
   .098899532222
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1260.98090      177.946710      30.6473250      4.47911910
   26053.09400
   4279.248000
   1136.565900
   382.6274700
   148.6622600
   46.20964700
   20.15802100
   6.733988100
   3.238378500
   1.224424600
   .6214591200
   .2710000000
   .019730706000   .006485661700   .002729171500   .001017263500
   .094475751000   .033793968000   .013885551000   .005058423800
   .281187600000   .105711210000   .045324122000   .016942054000
   .450561750000   .235035570000   .101278090000   .037130170000
   .287464510000   .170306850000   .083688775000   .032492147000
   .029070389000  -.493682680000  -.338070730000  -.137468430000
  -.011304785000  -.606302510000  -.557044920000  -.234843350000
   .004659457400  -.087042070000   .474699410000   .254117610000
  -.001512147300   .022499878000   .745330110000   .676106740000
   .001858086300  -.009878557600   .097694645000  -.101587890000
  -.001526848100   .005182896200  -.013270164000  -.875339190000
   .000091780804  -.001332260700   .002699492400  -.308644600000
   10    2
  158.065780      23.9854480
   2503.181300
   634.2715700
   222.4146100
   91.39439600
   41.30343100
   19.76641600
   9.497077400
   4.687468900
   2.334528600
   1.059000000
   .006344303600   .002721853600
   .039270766000   .016977979000
   .142785460000   .064518612000
   .321211430000   .152858650000
   .407281700000   .206627960000
   .229254790000   .021738648000
   .040082461000  -.363295500000
   .000820347130  -.504685650000
   .000141280420  -.230264900000
  -.000097761167  -.022690616000
    6    1
  12.9848590
   158.8714000
   48.46900700
   18.50581900
   7.644519500
   3.225300000
   1.287000000
   .018457027000
   .103887280000
   .289608150000
   .435229390000
   .336366780000
   .085429613000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YQR2D-3D
End of Spectral Representation Operator

/Zr.ECP.Barandiaran.11s8p7d.1s2p2d.10e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*ZRQR5F-PDS(A1/71/61)
 10.000000         2

   11    1
   12534.54140
   1672.804240
   352.6497390
   33.94089520
   13.79577480
   6.157733180
   2.800859010
   1.123191330
   .4517292030
   .6573370060E-01
   .2695838180E-01
   .000664958689
   .004628355590
   .014914872200
  -.067258525700
  -.035714324200
   .131910171000
   .184989943000
  -.211722740000
  -.450974758000
   .744947505000
   .418936008000
    8    2
   820.1684030
   187.9257990
   57.51190710
   8.880776800
   4.752701310
   .9105253770
   .3273176430
   .5900000000E-01
   .006455403900   .000000000000
   .041014243500   .000000000000
   .102242857000   .000000000000
  -.198480048000   .000000000000
  -.240033540000   .000000000000
   .675302930000   .000000000000
   .444908909000   .000000000000
   .000000000000  1.000000000000
    7    2
   87.47660790
   24.54251730
   8.068624510
   .9677737760
   .3209841250
   .9648821550E-01
   .3820000000E-01
  -.013627518700   .000000000000
  -.066435141300   .000000000000
  -.118129518000   .000000000000
   .328784150000   .000000000000
   .522039027000   .000000000000
   .384252977000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: ZRQR5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   289700.0000
   38460.00000
   8271.000000
   2213.000000
   665.2000000
   197.0000000
   77.60000000
   20.40000000
   9.158000000
   2.855000000
   1.090500000

   .037635150000
   .051422377000
   .097145684000
   .163990470000
   .207829180000
   .360099540000
   .475051750000
   .506927850000
   .828660490000
   .185752390000
   .085485116000
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1331.78110      189.625220      33.1886800      4.80825340
   27353.09400
   4469.248000
   1183.565900
   397.6274700
   154.6622600
   47.80964700
   20.85802100
   7.083988100
   3.388378500
   1.224424600
   .6314591200
   .2750000000
   .020165894000   .006644805900   .002820975500   .001066955600
   .096114124000   .034656061000   .014338482000   .005365415700
   .285127110000   .107577810000   .046556873000   .017666288000
   .452024390000   .239012920000   .103770280000   .039138690000
   .281880800000   .162648960000   .081059641000   .031707832000
   .027316097000  -.515620170000  -.360676330000  -.149049820000
  -.011296508000  -.588196770000  -.547818470000  -.239633070000
   .004712042600  -.078604129000   .513003980000   .292892940000
  -.001232636900   .018538572000   .731144030000   .688888310000
   .001646969500  -.007905038000   .083999128000  -.235566630000
  -.001521213500   .004285952100  -.014349360000  -.832067630000
   .000103577990  -.001113231200   .002825573000  -.251922670000
   10    2
  168.716880      26.1587160
   2503.181300
   634.2715700
   222.6146100
   91.49439600
   41.29343100
   19.67641600
   9.447077400
   4.666468900
   2.311528600
   .9930000000
   .006982808500   .003025757000
   .042822250000   .018748027000
   .153164360000   .070124149000
   .335966620000   .162553800000
   .406724290000   .207485470000
   .209297560000  -.009102698600
   .031219316000  -.402701730000
   .000660562510  -.496048970000
  -.000067936519  -.190884920000
  -.000063424461  -.013317490000
    6    1
  14.5931890
   174.6714000
   53.36900700
   20.41581900
   8.464519500
   3.594300000
   1.445000000
   .017576999000
   .100416300000
   .285274670000
   .436312340000
   .339721240000
   .084833993000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ZRQR5F-3D
End of Spectral Representation Operator

/Nb.ECP.Barandiaran.11s8p7d.1s2p2d.11e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*NBQR6D-PDS(A1/71/61)
 11.000000         2

   11    1
   13656.71830
   1809.437280
   375.3673700
   36.70171010
   17.96354480
   7.060537340
   3.656466860
   1.065788290
   .4944279190
   .7405104960E-01
   .2968803960E-01
   .000678211802
   .004727664800
   .015688722800
  -.064767962400
  -.034526559000
   .088176584500
   .201943283000
  -.221671738000
  -.416426804000
   .730087371000
   .434699096000
    8    2
   871.0808910
   199.4664920
   61.08228410
   9.452141110
   5.145699590
   1.008927590
   .3638917580
   .6500000000E-01
   .006674089350   .000000000000
   .042480035200   .000000000000
   .106299793000   .000000000000
  -.207117441000   .000000000000
  -.245009028000   .000000000000
   .684748983000   .000000000000
   .437644362000   .000000000000
   .000000000000  1.000000000000
    7    2
   95.20939840
   26.78514490
   8.870960740
   1.111987770
   .3810980690
   .1172141280
   .3310000000E-01
  -.014723091100   .000000000000
  -.072806051500   .000000000000
  -.130968541000   .000000000000
   .349024554000   .000000000000
   .523012131000   .000000000000
   .352192605000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: NBQR6D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   308700.0000
   41490.00000
   8990.000000
   2416.000000
   732.5000000
   219.0000000
   86.07000000
   23.35000000
   10.32400000
   3.336000000
   1.236300000

   .034083027273
   .046117353636
   .086921038182
   .146915136364
   .186816063636
   .312955227273
   .442416600000
   .418969445455
   .791412063636
   .176798890909
   .083867890000
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1404.82820      201.876120      35.9840600      5.30645220
   29453.09400
   4769.248000
   1255.565900
   420.6274700
   163.6622600
   50.30964700
   21.95802100
   7.403988100
   3.558378500
   1.264424600
   .6504591200
   .2880000000
   .020062985000   .006637204600   .002844385800   .001093369800
   .095674783000   .034681505000   .014430253000   .005551909500
   .284748930000   .107750560000   .047073485000   .018158259000
   .451656470000   .239657630000   .104592830000   .040620156000
   .283328810000   .162177310000   .081836924000   .032236575000
   .027870189000  -.519834650000  -.369711400000  -.155404300000
  -.011913603000  -.585250730000  -.546488530000  -.247987460000
   .005084726700  -.076860599000   .543733840000   .331194280000
  -.001307930300   .018792089000   .712558770000   .694241840000
   .001634782000  -.007885960100   .074503773000  -.348630340000
  -.001606018300   .004345284800  -.013558544000  -.788038960000
   .000143128130  -.001157830600   .002741670700  -.208704480000
   10    2
  179.890680      28.5714690
   2533.181300
   639.2715700
   223.5146100
   91.69439600
   41.47343100
   19.81641600
   9.617077400
   4.801468900
   2.391528600
   1.003000000
   .007537715500   .003293958700
   .046198058000   .020480065000
   .163926380000   .075944256000
   .349585090000   .171970820000
   .401518820000   .204910830000
   .191480740000  -.034860355000
   .025654392000  -.423192240000
   .000693726350  -.482967070000
  -.000206336070  -.170408920000
  -.000047980671  -.010285531000
    6    1
  16.4307860
   186.9714000
   57.36900700
   22.07581900
   9.214519500
   3.945300000
   1.601000000
   .017505426000
   .099784723000
   .283822120000
   .436564410000
   .339221150000
   .083014902000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NBQR6D-3D
End of Spectral Representation Operator

/Mo.ECP.Barandiaran.11s8p7d.1s2p2d.12e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*MOQR7S-PDS(A1/71/61)
 12.000000         2

   11    1
   14940.00690
   1969.957970
   401.1956720
   37.95228630
   17.35635450
   6.721829470
   3.319131570
   1.367857640
   .5721708270
   .8074138840E-01
   .3177000470E-01
   .000678688665
   .004719030410
   .016276133600
  -.071108405700
  -.031732520100
   .138598994000
   .189110732000
  -.215570975000
  -.447757030000
   .719817028000
   .440429317000
    8    2
   924.7045670
   211.5628380
   64.80113980
   10.03228740
   5.551905940
   1.110470440
   .4012723600
   .7000000000E-01
   .006855062650   .000000000000
   .043731732500   .000000000000
   .109924693000   .000000000000
  -.215458053000   .000000000000
  -.248139324000   .000000000000
   .691614322000   .000000000000
   .432794825000   .000000000000
   .000000000000  1.000000000000
    7    2
   102.9671780
   29.05527430
   9.692157970
   1.260478350
   .4432077460
   .1392473610
   .4320000000E-01
  -.015584740900   .000000000000
  -.077889544500   .000000000000
  -.141385880000   .000000000000
   .363733774000   .000000000000
   .522556572000   .000000000000
   .328235068000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: MOQR7S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   315500.0000
   41530.00000
   8885.000000
   2373.000000
   714.8000000
   215.4000000
   86.37000000
   23.05000000
   10.58200000
   3.276000000
   1.304400000

   .032011391667
   .043986504167
   .083355675000
   .139326908333
   .174640208333
   .303045166667
   .390843641667
   .426068825000
   .688581100000
   .150228691667
   .067911885833
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1479.96850      214.523680      38.8544360      5.79807150
   31653.09400
   5099.248000
   1338.565900
   447.6274700
   173.6622600
   53.70964700
   23.45802100
   7.893988100
   3.828378500
   1.324424600
   .6804591200
   .3030000000
   .019945440000   .006640823100   .002866522600   .001118139700
   .094760936000   .034452480000   .014431712000   .005677130900
   .282212370000   .107284700000   .047210153000   .018481951000
   .451283170000   .238706340000   .104841630000   .041671119000
   .287100710000   .166122290000   .084341343000   .033514697000
   .028545938000  -.510584380000  -.365886060000  -.156086280000
  -.012149439000  -.593518500000  -.556251530000  -.259480090000
   .005070451200  -.080021633000   .538743790000   .343172060000
  -.001084972700   .019820707000   .719502610000   .707670910000
   .001481501500  -.008048470500   .075407626000  -.419198580000
  -.001589405500   .004511331300  -.015835516000  -.756360600000
   .000146587530  -.001218907500   .003268605500  -.181120340000
   10    2
  191.410780      31.0462020
   2543.181300
   640.2715700
   223.9146100
   91.99439600
   41.69343100
   19.90641600
   9.717077400
   4.883468900
   2.432528600
   .9730000000
   .008221443300   .003622831700
   .050064511000   .022457137000
   .174652820000   .081861150000
   .361565890000   .180660550000
   .395834240000   .201236770000
   .174949270000  -.062978325000
   .020346150000  -.447292380000
   .000718789120  -.466504810000
  -.000332577880  -.146375320000
  -.000031664284  -.007180438800
    6    1
  18.3218900
   197.8714000
   60.66900700
   23.37581900
   9.804519500
   4.237300000
   1.737000000
   .017789954000
   .101766100000
   .288021930000
   .437993990000
   .332522010000
   .078110683000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MOQR7S-3D
End of Spectral Representation Operator

/Tc.ECP.Barandiaran.11s8p7d.1s2p2d.13e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*TCQR6S-PDS(A1/71/61)
 13.000000         2

   11    1
   15850.41150
   2073.692430
   423.4825170
   40.18090330
   20.00672370
   6.703800150
   3.387579550
   1.448433050
   .6172253320
   .8960379490E-01
   .3417029860E-01
   .000693326584
   .004832194380
   .016457081500
  -.071041977600
  -.029780702500
   .160681379000
   .169250861000
  -.233804824000
  -.429354640000
   .688154742000
   .473508768000
    8    2
   981.5423050
   224.3143390
   68.69343450
   10.56887560
   5.902943430
   1.226454060
   .4536394280
   .7600000000E-01
   .007060673790   .000000000000
   .045174580800   .000000000000
   .114182633000   .000000000000
  -.230885655000   .000000000000
  -.248412388000   .000000000000
   .698152787000   .000000000000
   .427319690000   .000000000000
   .000000000000  1.000000000000
    7    2
   110.9117940
   31.36328280
   10.52651090
   1.441209070
   .5392325640
   .1840927880
   .6580000000E-01
  -.017252088700   .000000000000
  -.087116800400   .000000000000
  -.159042441000   .000000000000
   .384147272000   .000000000000
   .524818898000   .000000000000
   .275193349000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: TCQR6S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   309200.0000
   42870.00000
   9463.000000
   2572.000000
   784.9000000
   237.4000000
   94.59000000
   25.55000000
   11.61500000
   3.646000000
   1.462600000

   .030343486923
   .040172220769
   .075457240000
   .126100392308
   .159289238462
   .270453330769
   .369868084615
   .374184007692
   .656350930769
   .140440953846
   .065032427692
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1557.54130      227.910380      42.1395540      6.60222270
   35253.09400
   5629.248000
   1467.565900
   487.6274700
   187.6622600
   57.00964700
   24.95802100
   8.453988100
   4.138378500
   1.454424600
   .7544591200
   .3430000000
   .019116250000   .006384476600   .002771614600   .001103812000
   .090806832000   .033160189000   .013996459000   .005630357800
   .273931650000   .103943780000   .045965098000   .018372409000
   .449994690000   .235993820000   .104391580000   .042427313000
   .299886480000   .174595610000   .088331074000   .035818083000
   .031649886000  -.503598010000  -.363072820000  -.158384230000
  -.013821747000  -.598031980000  -.565100990000  -.270572230000
   .005987346000  -.083109897000   .528410170000   .348454990000
  -.001590014700   .020955873000   .728551030000   .731843060000
   .001878489100  -.008549607400   .079748114000  -.421828700000
  -.001910808800   .004799905200  -.016600018000  -.766994580000
   .000208255150  -.001307016000   .003428972500  -.179013250000
   10    2
  203.614190      33.9196930
   2543.181300
   641.2715700
   224.8146100
   92.59439600
   42.05343100
   20.05641500
   9.847077400
   4.987468900
   2.497528600
   .9990000000
   .008979375700   .003988952200
   .053989915000   .024491360000
   .184791170000   .087583555000
   .371862020000   .188553410000
   .389337310000   .196384700000
   .160309260000  -.090232593000
   .016070565000  -.467453290000
   .000761020190  -.446770010000
  -.000434958000  -.126997740000
  -.000016740783  -.005673752800
    6    1
  20.5994360
   196.6714000
   60.36900700
   23.36581900
   9.884519500
   4.342300000
   1.814000000
   .020291337000
   .112965710000
   .305670710000
   .439226410000
   .308435250000
   .066289332000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TCQR6S-3D
End of Spectral Representation Operator

/Ru.ECP.Barandiaran.11s8p7d.1s2p2d.14e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*RUQR5F-PDS(A1/71/61)
 14.000000         2

   11    1
   16917.15250
   2197.225080
   447.4694180
   42.11364560
   20.52792180
   7.274160700
   3.822400280
   1.497234750
   .6507377630
   .8852150840E-01
   .3363417650E-01
   .000668503753
   .004664125090
   .015870442500
  -.069952941100
  -.028338388800
   .147123233000
   .161075100000
  -.230844126000
  -.384290226000
   .672392743000
   .475274534000
    8    2
   1040.334830
   237.3559250
   72.66329720
   11.21018720
   6.382603030
   1.325554660
   .4819327720
   .7400000000E-01
   .007151491140   .000000000000
   .045898343100   .000000000000
   .116521121000   .000000000000
  -.233963836000   .000000000000
  -.249757755000   .000000000000
   .703025494000   .000000000000
   .424768010000   .000000000000
   .000000000000  1.000000000000
    7    2
   120.2252740
   34.07763790
   11.49486730
   1.566132190
   .5592740430
   .1752516960
   .7280000000E-01
  -.016490332400   .000000000000
  -.084466749000   .000000000000
  -.157297149000   .000000000000
   .386633296000   .000000000000
   .517189825000   .000000000000
   .306499651000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: RUQR5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   327700.0000
   46000.00000
   10270.00000
   2820.000000
   864.9000000
   258.9000000
   102.1600000
   28.01000000
   12.67500000
   4.019000000
   1.576100000

   .028083737857
   .036768183571
   .068559163571
   .114576485714
   .147736835714
   .246952792857
   .349363842857
   .331515992857
   .624812278571
   .132797407143
   .061690427143
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1636.73070      241.167540      44.9631810      6.88249380
   38053.09400
   6019.248000
   1559.565900
   515.6274700
   197.6622600
   60.40964700
   26.45802100
   8.983988100
   4.428378500
   1.584424600
   .8024591200
   .3540000000
   .018939932000   .006361518100   .002776866600   .001115636700
   .089975460000   .032966399000   .014009214000   .005692266200
   .272522000000   .103861270000   .046179242000   .018621428000
   .450960010000   .236283290000   .105234930000   .043211927000
   .301685670000   .176395590000   .089612745000   .036629624000
   .031723228000  -.499262810000  -.362407760000  -.159647460000
  -.013926858000  -.601825750000  -.572097140000  -.277626340000
   .005972986900  -.085037915000   .527174870000   .355961790000
  -.001421019900   .021763538000   .731141800000   .742138200000
   .001742206800  -.008468768500   .079021310000  -.441000950000
  -.001816239300   .004458708700  -.014466027000  -.765519900000
   .000166908950  -.001213132600   .003042511600  -.172402690000
   10    2
  215.636700      36.3219800
   2603.181300
   657.2715700
   231.2146100
   95.49439600
   43.42343100
   20.67641600
   10.14707700
   5.135468900
   2.546528600
   .9150000000
   .009434425400   .004225637700
   .056097583000   .025689350000
   .189436450000   .090659140000
   .376090840000   .192820310000
   .386283910000   .194512090000
   .153786340000  -.105636410000
   .014017858000  -.483788720000
   .000681439650  -.435720040000
  -.000468675690  -.111018290000
  -.000020073999  -.003922117200
    6    1
  22.4014540
   198.4714000
   60.86900700
   23.60581900
   10.04452000
   4.463300000
   1.883000000
   .022416501000
   .122733600000
   .320834140000
   .440038900000
   .287640070000
   .056196070000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RUQR5F-3D
End of Spectral Representation Operator

/Rh.ECP.Barandiaran.11s8p7d.1s2p2d.15e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*RHQR4F-PDS(A1/71/61)
 15.000000         2

   11    1
   18024.02580
   2323.245490
   471.1828550
   44.23952970
   18.23299160
   9.285180950
   4.768600670
   1.508772780
   .6851531740
   .9127517680E-01
   .3418784020E-01
   .000656546958
   .004587021010
   .015604443200
  -.070602085500
  -.039858761600
   .107495042000
   .191382923000
  -.227378213000
  -.349392621000
   .653871029000
   .487477151000
    8    2
   1102.089830
   251.0473740
   76.81274260
   11.80368720
   6.803866910
   1.438456790
   .5238838210
   .7500000000E-01
   .007268355070   .000000000000
   .046795685600   .000000000000
   .119424885000   .000000000000
  -.244239915000   .000000000000
  -.247823391000   .000000000000
   .707146655000   .000000000000
   .422239696000   .000000000000
   .000000000000  1.000000000000
    7    2
   129.1456640
   36.68062820
   12.43422500
   1.727806540
   .6217457830
   .1956656290
   .7620000000E-01
  -.016818936800   .000000000000
  -.087010901700   .000000000000
  -.163717916000   .000000000000
   .394688195000   .000000000000
   .515007529000   .000000000000
   .297629395000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: RHQR4F1-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   342900.0000
   48160.00000
   10757.00000
   2959.000000
   915.0000000
   277.2000000
   109.5000000
   30.54000000
   13.74300000
   4.400000000
   1.714600000

   .026343455333
   .034474798000
   .064245998000
   .106875086667
   .136705726667
   .226416033333
   .328477813333
   .297319326667
   .595042906667
   .125351193333
   .058747653333
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1718.33140      255.117580      48.1510550      7.43073600
   40953.09400
   6449.248000
   1667.565900
   549.6274700
   209.6622600
   64.00964700
   28.05802100
   9.603988100
   4.768378500
   1.724424600
   .8724591200
   .3840000000
   .018779500000   .006340994300   .002781347000   .001131254900
   .088600929000   .032584698000   .013942281000   .005739098600
   .268776450000   .102726790000   .045892630000   .018734315000
   .450519120000   .235257060000   .105481970000   .043881785000
   .307088600000   .180467310000   .091759935000   .037964304000
   .032835387000  -.493450310000  -.360009580000  -.160725060000
  -.014567711000  -.606101910000  -.580494630000  -.286218480000
   .006258159900  -.087491870000   .515335710000   .355998380000
  -.001451667200   .022289991000   .741800060000   .759844300000
   .001823324400  -.008489641500   .082850490000  -.440359450000
  -.001903484300   .004365735400  -.014728197000  -.771272180000
   .000163566010  -.001193178000   .003111910000  -.174328200000
   10    2
  228.290030      39.0709180
   3033.181300
   763.2715700
   268.0146100
   110.6944000
   50.40343100
   24.19641600
   11.83707700
   5.978468900
   2.971528600
   1.118000000
   .008051382400   .003639616400
   .048523358000   .022308248000
   .168686560000   .081038784000
   .353091870000   .180619500000
   .397831530000   .208427140000
   .185587720000  -.049293557000
   .023436912000  -.450405950000
   .000346318610  -.475714840000
  -.000361161070  -.142799250000
  -.000069495081  -.006214180800
    6    1
  24.5368340
   199.6714000
   61.66900700
   24.18581900
   10.41451900
   4.682300000
   1.993000000
   .024715030000
   .130653220000
   .328622900000
   .437286220000
   .274829100000
   .050969707000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RHQR4F1-3D
End of Spectral Representation Operator

/Pd.ECP.Barandiaran.11s8p7d.1s2p2d.16e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*PDQR3D-PDS(A1/71/61)
 16.000000         2

   11    1
   19143.61820
   2452.842670
   496.2237530
   46.69192300
   21.08295890
   9.638443980
   5.128485050
   1.662917930
   .7388970760
   .9314679750E-01
   .3451253020E-01
   .000644466051
   .004495697350
   .015281921500
  -.068180656500
  -.033270438400
   .095878059600
   .190373471000
  -.215993878000
  -.340017478000
   .641147069000
   .493260928000
    8    2
   1162.562500
   264.6187720
   80.98508910
   12.47188030
   7.284426230
   1.553012710
   .5663067730
   .7700000000E-01
   .007405123870   .000000000000
   .047715383700   .000000000000
   .122090852000   .000000000000
  -.250098350000   .000000000000
  -.249094313000   .000000000000
   .711177885000   .000000000000
   .419262512000   .000000000000
   .000000000000  1.000000000000
    7    2
   138.3067480
   39.35687280
   13.40255250
   1.895386920
   .6866714000
   .2170610280
   .8380000000E-01
  -.017080379100   .000000000000
  -.089154824400   .000000000000
  -.169323974000   .000000000000
   .401247684000   .000000000000
   .513018406000   .000000000000
   .290338805000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: PDQR3D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   328700.0000
   47790.00000
   10906.00000
   3037.000000
   942.8000000
   286.3000000
   113.6900000
   31.49000000
   14.42400000
   4.534000000
   1.817500000

   .025696438125
   .032817888750
   .060775398750
   .100661668750
   .128688037500
   .215809275000
   .305715631250
   .288731650000
   .549498543750
   .114352481250
   .052252993750
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1802.10720      269.498320      51.4354660      7.98863420
   44553.09400
   6949.248000
   1784.565900
   585.6274700
   222.6622600
   67.50964700
   29.65802100
   10.19398800
   5.098378500
   1.884424600
   .9454591200
   .4140000000
   .018439366000   .006252480900   .002755392500   .001133719500
   .086976268000   .032122467000   .013833873000   .005757047700
   .265429150000   .101640770000   .045610385000   .018835363000
   .449497130000   .234222630000   .105673800000   .044442697000
   .312814250000   .183797260000   .093512557000   .039163396000
   .034624307000  -.489446810000  -.359437140000  -.162593760000
  -.015732116000  -.608274270000  -.586164100000  -.292947560000
   .006923398800  -.089758711000   .511243680000   .360567390000
  -.001791306900   .023380187000   .745213410000   .774081780000
   .002060755900  -.008774483300   .084715138000  -.438167410000
  -.002066884700   .004344085900  -.013520274000  -.781694660000
   .000178785580  -.001193959600   .002904726300  -.175367480000
   10    2
  241.311190      41.9003420
   3253.181300
   817.2715700
   286.5146100
   118.2944000
   53.90343100
   25.93641500
   12.70707700
   6.431468900
   3.198528600
   1.195000000
   .007828142700   .003565534700
   .047280672000   .021889722000
   .165349400000   .079976422000
   .349080370000   .179680350000
   .399000060000   .211175820000
   .191196170000  -.040625705000
   .025379989000  -.446492110000
   .000211202800  -.481523310000
  -.000359895940  -.146103620000
  -.000086652468  -.006431916500
    6    1
  26.7414910
   213.6714000
   66.16900700
   26.07581900
   11.29452000
   5.102300000
   2.178000000
   .024211087000
   .128355530000
   .324577530000
   .437092780000
   .278422980000
   .051948633000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PDQR3D-3D
End of Spectral Representation Operator

/Ag.ECP.Barandiaran.11s8p7d.1s2p2d.17e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*AGQR2S-PDS(A1/71/61)
 17.000000         2

   11    1
   20518.75760
   2606.726860
   524.1261300
   48.37225850
   18.15035200
   10.02657410
   4.855134220
   1.905406730
   .7923550780
   .9468349630E-01
   .3476888420E-01
   .000623423921
   .004358661900
   .014893217900
  -.069852776500
  -.044172259000
   .136505409000
   .173321718000
  -.217002025000
  -.333632479000
   .628020129000
   .500187283000
    8    2
   1224.633800
   278.5757910
   85.28367000
   13.14915150
   7.773860760
   1.671045850
   .6097773210
   .7800000000E-01
   .007533934140   .000000000000
   .048561235100   .000000000000
   .124548510000   .000000000000
  -.256368497000   .000000000000
  -.249181527000   .000000000000
   .714491229000   .000000000000
   .416944485000   .000000000000
   .000000000000  1.000000000000
    7    2
   147.7008570
   42.10173320
   14.39717500
   2.068775960
   .7547321860
   .2401668270
   .8660000000E-01
  -.017303581400   .000000000000
  -.091052335900   .000000000000
  -.174377818000   .000000000000
   .406790088000   .000000000000
   .511261271000   .000000000000
   .283491050000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: AGQR2S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   339100.0000
   48800.00000
   11082.00000
   3087.000000
   957.8000000
   292.6000000
   117.3000000
   32.26000000
   15.06700000
   4.650000000
   1.916800000

   .024511188824
   .031565950588
   .058359524706
   .096090570588
   .121900635294
   .207275635294
   .283978541176
   .283887505882
   .505975300000
   .104837364706
   .046323661176
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1888.06800      284.306350      54.8101750      8.55090180
   48253.09400
   7469.248000
   1906.565900
   622.6274700
   235.6622600
   71.30964700
   31.35802100
   10.86398800
   5.468378500
   2.054424600
   1.028459100
   .4490000000
   .018166858000   .006191106400   .002739873900   .001138973700
   .085482973000   .031683603000   .013731438000   .005769845400
   .262229570000   .100706880000   .045373268000   .018930775000
   .449107130000   .233345890000   .105927040000   .044978808000
   .317811740000   .187297210000   .095344411000   .040366889000
   .035937230000  -.484308350000  -.357326220000  -.163516810000
  -.016567852000  -.611707960000  -.593540540000  -.300160790000
   .007356532000  -.092075778000   .499863500000   .358457340000
  -.001945529100   .023924608000   .754542630000   .790635230000
   .002230127500  -.008820116600   .088747924000  -.425939290000
  -.002193080000   .004230460900  -.013189638000  -.793173250000
   .000176832060  -.001171335500   .002863920700  -.181818120000
   10    2
  254.693320      44.8031780
   3563.181300
   893.2715700
   312.9146100
   129.0944000
   58.77343100
   28.29641500
   13.83707700
   7.000468900
   3.480528600
   1.303000000
   .007358528800   .003376831500
   .044565198000   .020751682000
   .157541380000   .076615307000
   .339956580000   .175596370000
   .402463880000   .215853750000
   .203699170000  -.022013954000
   .029466762000  -.436000630000
   .000064150091  -.493473690000
  -.000342000870  -.155177560000
  -.000110974790  -.007132875700
    6    1
  29.0077480
   229.0714000
   70.96900700
   27.99581900
   12.15451900
   5.509300000
   2.359000000
   .023581713000
   .126200890000
   .322473130000
   .438089030000
   .279949270000
   .052078278000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AGQR2S-3D
End of Spectral Representation Operator

/Cd.ECP.Barandiaran.11s8p6d.1s2p1d.18e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/611)=3s3p3d recommended
*CDQR1S-PDS(A1/71/6)
 18.000000         2

   11    1
   21853.98590
   2756.327570
   551.7080770
   50.66690160
   18.72571320
   10.23501780
   4.774123430
   2.307910020
   .9284963950
   .1208523040
   .4370448180E-01
   .000710053898
   .004964314290
   .016993573600
  -.080486390100
  -.049813170800
   .172932281000
   .207643200000
  -.234524059000
  -.414892337000
   .660113648000
   .488228775000
    8    2
   1291.791200
   293.4490180
   89.79891540
   13.76174890
   8.169598410
   1.806744250
   .6712315990
   .9900000000E-01
   .007683132770   .000000000000
   .049619972000   .000000000000
   .127786306000   .000000000000
  -.271951772000   .000000000000
  -.244729511000   .000000000000
   .719338339000   .000000000000
   .412849025000   .000000000000
   .000000000000  1.000000000000
    6    1
   157.0421920
   44.83258310
   15.39507910
   2.276869000
   .8601315280
   .2898454700
  -.018143664900
  -.096079421700
  -.184795391000
   .416147762000
   .510750308000
   .255774124000
*
* Core AIMP: CDQR1S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   369100.0000
   54100.00000
   12511.00000
   3528.000000
   1106.500000
   338.9000000
   133.0100000
   38.59000000
   17.10900000
   5.673000000
   2.199400000

   .022656432222
   .028742478889
   .052427206667
   .087178016667
   .112598150000
   .181346016667
   .279622788889
   .226432016667
   .516310544444
   .107042405556
   .052310611111
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1976.62900      299.961940      58.6907310      9.49640590
   52153.09400
   8009.248000
   2036.565900
   662.6274700
   249.6622600
   75.50964700
   33.25802100
   11.61398800
   5.898378500
   2.294424600
   1.158459100
   .5140000000
   .017949139000   .006150875700   .002731692600   .001153987200
   .084083113000   .031265795000   .013641294000   .005805087100
   .258501020000   .099597082000   .045026330000   .019089603000
   .448178650000   .231948120000   .105973780000   .045559931000
   .323463660000   .191593390000   .097450914000   .042027104000
   .037623025000  -.475723350000  -.351874440000  -.163924900000
  -.017535419000  -.617323940000  -.603041030000  -.309033360000
   .007904263500  -.096481930000   .479438840000   .348220730000
  -.002282218000   .025539716000   .767156910000   .818333410000
   .002634396100  -.009519218500   .097089237000  -.376072240000
  -.002456760200   .004462199000  -.012502066000  -.828425550000
   .000185462490  -.001241844700   .002750537300  -.201320280000
   10    2
  268.849560      48.1906520
   3893.181300
   972.2715700
   339.7146100
   139.9944000
   63.75343100
   30.76641600
   15.06707700
   7.646468900
   3.823528600
   1.496000000
   .006941083100   .003207504700
   .042283642000   .019803448000
   .151141840000   .073891342000
   .331785410000   .172042770000
   .404000270000   .219014870000
   .214888440000  -.004591451500
   .033913978000  -.421606210000
  -.000035085985  -.503436270000
  -.000318397230  -.168041090000
  -.000140577050  -.008702003200
    6    1
  31.7425030
   250.2714000
   77.66900700
   30.66581900
   13.32452000
   6.046300000
   2.598000000
   .022061759000
   .119997340000
   .314615320000
   .439394060000
   .288833730000
   .055411587000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CDQR1S-3D
End of Spectral Representation Operator

*
********************************************************************************
*
* - d diffuse functions for  (4d,5s)n  configurations from
*   S.P.Walch, Ch.W.Bauschlicher, Jr., and C.J.Nelin, J.Chem.Phys. 79(1983)3600.
* - f-pol+corr. 1-STO from same ref.; 1STO->3GTO R.F.Stewart JCP,52('70)431
*
********************************************************************************
*
/Y.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.9e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*YQR2D-PDS(A1/71/61)
  9.000000         3

   11    1
   11780.26620
   1581.698390
   332.9744130
   32.46506950
   14.58111210
   5.541825850
   2.718202630
   .9071977620
   .3971471990
   .6287188660E-01
   .2545032000E-01
   .000653835821
   .004548214530
   .014795118000
  -.063967443000
  -.030534004600
   .121613683000
   .166799986000
  -.216028177000
  -.441992860000
   .724853931000
   .449797179000
    8    2
   770.3180620
   176.6800460
   54.05224290
   8.305175940
   4.349613910
   .8203002190
   .2988208000
   .5600000000E-01
   .006262044230   .000000000000
   .039670116800   .000000000000
   .098441978700   .000000000000
  -.192736658000   .000000000000
  -.234104174000   .000000000000
   .665345358000   .000000000000
   .451269540000   .000000000000
   .000000000000  1.000000000000
    7    2
   79.67964610
   22.28106600
   7.266894900
   .8546457190
   .2869656210
   .8877811890E-01
   .3160000000E-01
  -.013653790600   .000000000000
  -.065371816800   .000000000000
  -.114010891000   .000000000000
   .318660730000   .000000000000
   .530437736000   .000000000000
   .376082060000   .000000000000
   .000000000000  1.000000000000
    3    1
 0.64436864
 0.23108542
 0.09895352
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: YQR2D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   300200.0000
   38340.00000
   8044.000000
   2116.000000
   627.4000000
   184.2000000
   72.53000000
   18.91000000
   8.430000000
   2.661000000
   1.005900000

   .040178936667
   .056393030000
   .107498014444
   .182950477778
   .232532033333
   .402352288889
   .524388200000
   .569388888889
   .911024988889
   .207726944444
   .098899532222
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1260.98090      177.946710      30.6473250      4.47911910
   26053.09400
   4279.248000
   1136.565900
   382.6274700
   148.6622600
   46.20964700
   20.15802100
   6.733988100
   3.238378500
   1.224424600
   .6214591200
   .2710000000
   .019730706000   .006485661700   .002729171500   .001017263500
   .094475751000   .033793968000   .013885551000   .005058423800
   .281187600000   .105711210000   .045324122000   .016942054000
   .450561750000   .235035570000   .101278090000   .037130170000
   .287464510000   .170306850000   .083688775000   .032492147000
   .029070389000  -.493682680000  -.338070730000  -.137468430000
  -.011304785000  -.606302510000  -.557044920000  -.234843350000
   .004659457400  -.087042070000   .474699410000   .254117610000
  -.001512147300   .022499878000   .745330110000   .676106740000
   .001858086300  -.009878557600   .097694645000  -.101587890000
  -.001526848100   .005182896200  -.013270164000  -.875339190000
   .000091780804  -.001332260700   .002699492400  -.308644600000
   10    2
  158.065780      23.9854480
   2503.181300
   634.2715700
   222.4146100
   91.39439600
   41.30343100
   19.76641600
   9.497077400
   4.687468900
   2.334528600
   1.059000000
   .006344303600   .002721853600
   .039270766000   .016977979000
   .142785460000   .064518612000
   .321211430000   .152858650000
   .407281700000   .206627960000
   .229254790000   .021738648000
   .040082461000  -.363295500000
   .000820347130  -.504685650000
   .000141280420  -.230264900000
  -.000097761167  -.022690616000
    6    1
  12.9848590
   158.8714000
   48.46900700
   18.50581900
   7.644519500
   3.225300000
   1.287000000
   .018457027000
   .103887280000
   .289608150000
   .435229390000
   .336366780000
   .085429613000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YQR2D-3D
End of Spectral Representation Operator

/Zr.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.10e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*ZRQR5F-PDS(A1/71/61)
 10.000000         3

   11    1
   12534.54140
   1672.804240
   352.6497390
   33.94089520
   13.79577480
   6.157733180
   2.800859010
   1.123191330
   .4517292030
   .6573370060E-01
   .2695838180E-01
   .000664958689
   .004628355590
   .014914872200
  -.067258525700
  -.035714324200
   .131910171000
   .184989943000
  -.211722740000
  -.450974758000
   .744947505000
   .418936008000
    8    2
   820.1684030
   187.9257990
   57.51190710
   8.880776800
   4.752701310
   .9105253770
   .3273176430
   .5900000000E-01
   .006455403900   .000000000000
   .041014243500   .000000000000
   .102242857000   .000000000000
  -.198480048000   .000000000000
  -.240033540000   .000000000000
   .675302930000   .000000000000
   .444908909000   .000000000000
   .000000000000  1.000000000000
    7    2
   87.47660790
   24.54251730
   8.068624510
   .9677737760
   .3209841250
   .9648821550E-01
   .3820000000E-01
  -.013627518700   .000000000000
  -.066435141300   .000000000000
  -.118129518000   .000000000000
   .328784150000   .000000000000
   .522039027000   .000000000000
   .384252977000   .000000000000
   .000000000000  1.000000000000
    3    1
 1.04267457
 0.37392710
 0.16012002
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: ZRQR5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   289700.0000
   38460.00000
   8271.000000
   2213.000000
   665.2000000
   197.0000000
   77.60000000
   20.40000000
   9.158000000
   2.855000000
   1.090500000

   .037635150000
   .051422377000
   .097145684000
   .163990470000
   .207829180000
   .360099540000
   .475051750000
   .506927850000
   .828660490000
   .185752390000
   .085485116000
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1331.78110      189.625220      33.1886800      4.80825340
   27353.09400
   4469.248000
   1183.565900
   397.6274700
   154.6622600
   47.80964700
   20.85802100
   7.083988100
   3.388378500
   1.224424600
   .6314591200
   .2750000000
   .020165894000   .006644805900   .002820975500   .001066955600
   .096114124000   .034656061000   .014338482000   .005365415700
   .285127110000   .107577810000   .046556873000   .017666288000
   .452024390000   .239012920000   .103770280000   .039138690000
   .281880800000   .162648960000   .081059641000   .031707832000
   .027316097000  -.515620170000  -.360676330000  -.149049820000
  -.011296508000  -.588196770000  -.547818470000  -.239633070000
   .004712042600  -.078604129000   .513003980000   .292892940000
  -.001232636900   .018538572000   .731144030000   .688888310000
   .001646969500  -.007905038000   .083999128000  -.235566630000
  -.001521213500   .004285952100  -.014349360000  -.832067630000
   .000103577990  -.001113231200   .002825573000  -.251922670000
   10    2
  168.716880      26.1587160
   2503.181300
   634.2715700
   222.6146100
   91.49439600
   41.29343100
   19.67641600
   9.447077400
   4.666468900
   2.311528600
   .9930000000
   .006982808500   .003025757000
   .042822250000   .018748027000
   .153164360000   .070124149000
   .335966620000   .162553800000
   .406724290000   .207485470000
   .209297560000  -.009102698600
   .031219316000  -.402701730000
   .000660562510  -.496048970000
  -.000067936519  -.190884920000
  -.000063424461  -.013317490000
    6    1
  14.5931890
   174.6714000
   53.36900700
   20.41581900
   8.464519500
   3.594300000
   1.445000000
   .017576999000
   .100416300000
   .285274670000
   .436312340000
   .339721240000
   .084833993000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ZRQR5F-3D
End of Spectral Representation Operator

/Nb.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.11e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*NBQR6D-PDS(A1/71/61)
 11.000000         3

   11    1
   13656.71830
   1809.437280
   375.3673700
   36.70171010
   17.96354480
   7.060537340
   3.656466860
   1.065788290
   .4944279190
   .7405104960E-01
   .2968803960E-01
   .000678211802
   .004727664800
   .015688722800
  -.064767962400
  -.034526559000
   .088176584500
   .201943283000
  -.221671738000
  -.416426804000
   .730087371000
   .434699096000
    8    2
   871.0808910
   199.4664920
   61.08228410
   9.452141110
   5.145699590
   1.008927590
   .3638917580
   .6500000000E-01
   .006674089350   .000000000000
   .042480035200   .000000000000
   .106299793000   .000000000000
  -.207117441000   .000000000000
  -.245009028000   .000000000000
   .684748983000   .000000000000
   .437644362000   .000000000000
   .000000000000  1.000000000000
    7    2
   95.20939840
   26.78514490
   8.870960740
   1.111987770
   .3810980690
   .1172141280
   .3310000000E-01
  -.014723091100   .000000000000
  -.072806051500   .000000000000
  -.130968541000   .000000000000
   .349024554000   .000000000000
   .523012131000   .000000000000
   .352192605000   .000000000000
   .000000000000  1.000000000000
    3    1
 1.52177046
 0.54574191
 0.23369316
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: NBQR6D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   308700.0000
   41490.00000
   8990.000000
   2416.000000
   732.5000000
   219.0000000
   86.07000000
   23.35000000
   10.32400000
   3.336000000
   1.236300000

   .034083027273
   .046117353636
   .086921038182
   .146915136364
   .186816063636
   .312955227273
   .442416600000
   .418969445455
   .791412063636
   .176798890909
   .083867890000
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1404.82820      201.876120      35.9840600      5.30645220
   29453.09400
   4769.248000
   1255.565900
   420.6274700
   163.6622600
   50.30964700
   21.95802100
   7.403988100
   3.558378500
   1.264424600
   .6504591200
   .2880000000
   .020062985000   .006637204600   .002844385800   .001093369800
   .095674783000   .034681505000   .014430253000   .005551909500
   .284748930000   .107750560000   .047073485000   .018158259000
   .451656470000   .239657630000   .104592830000   .040620156000
   .283328810000   .162177310000   .081836924000   .032236575000
   .027870189000  -.519834650000  -.369711400000  -.155404300000
  -.011913603000  -.585250730000  -.546488530000  -.247987460000
   .005084726700  -.076860599000   .543733840000   .331194280000
  -.001307930300   .018792089000   .712558770000   .694241840000
   .001634782000  -.007885960100   .074503773000  -.348630340000
  -.001606018300   .004345284800  -.013558544000  -.788038960000
   .000143128130  -.001157830600   .002741670700  -.208704480000
   10    2
  179.890680      28.5714690
   2533.181300
   639.2715700
   223.5146100
   91.69439600
   41.47343100
   19.81641600
   9.617077400
   4.801468900
   2.391528600
   1.003000000
   .007537715500   .003293958700
   .046198058000   .020480065000
   .163926380000   .075944256000
   .349585090000   .171970820000
   .401518820000   .204910830000
   .191480740000  -.034860355000
   .025654392000  -.423192240000
   .000693726350  -.482967070000
  -.000206336070  -.170408920000
  -.000047980671  -.010285531000
    6    1
  16.4307860
   186.9714000
   57.36900700
   22.07581900
   9.214519500
   3.945300000
   1.601000000
   .017505426000
   .099784723000
   .283822120000
   .436564410000
   .339221150000
   .083014902000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NBQR6D-3D
End of Spectral Representation Operator

/Mo.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.12e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*MOQR7S-PDS(A1/71/61)
 12.000000         3

   11    1
   14940.00690
   1969.957970
   401.1956720
   37.95228630
   17.35635450
   6.721829470
   3.319131570
   1.367857640
   .5721708270
   .8074138840E-01
   .3177000470E-01
   .000678688665
   .004719030410
   .016276133600
  -.071108405700
  -.031732520100
   .138598994000
   .189110732000
  -.215570975000
  -.447757030000
   .719817028000
   .440429317000
    8    2
   924.7045670
   211.5628380
   64.80113980
   10.03228740
   5.551905940
   1.110470440
   .4012723600
   .7000000000E-01
   .006855062650   .000000000000
   .043731732500   .000000000000
   .109924693000   .000000000000
  -.215458053000   .000000000000
  -.248139324000   .000000000000
   .691614322000   .000000000000
   .432794825000   .000000000000
   .000000000000  1.000000000000
    7    2
   102.9671780
   29.05527430
   9.692157970
   1.260478350
   .4432077460
   .1392473610
   .4320000000E-01
  -.015584740900   .000000000000
  -.077889544500   .000000000000
  -.141385880000   .000000000000
   .363733774000   .000000000000
   .522556572000   .000000000000
   .328235068000   .000000000000
   .000000000000  1.000000000000
    3    1
 1.89133482
 0.67827620
 0.29044592
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: MOQR7S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   315500.0000
   41530.00000
   8885.000000
   2373.000000
   714.8000000
   215.4000000
   86.37000000
   23.05000000
   10.58200000
   3.276000000
   1.304400000

   .032011391667
   .043986504167
   .083355675000
   .139326908333
   .174640208333
   .303045166667
   .390843641667
   .426068825000
   .688581100000
   .150228691667
   .067911885833
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1479.96850      214.523680      38.8544360      5.79807150
   31653.09400
   5099.248000
   1338.565900
   447.6274700
   173.6622600
   53.70964700
   23.45802100
   7.893988100
   3.828378500
   1.324424600
   .6804591200
   .3030000000
   .019945440000   .006640823100   .002866522600   .001118139700
   .094760936000   .034452480000   .014431712000   .005677130900
   .282212370000   .107284700000   .047210153000   .018481951000
   .451283170000   .238706340000   .104841630000   .041671119000
   .287100710000   .166122290000   .084341343000   .033514697000
   .028545938000  -.510584380000  -.365886060000  -.156086280000
  -.012149439000  -.593518500000  -.556251530000  -.259480090000
   .005070451200  -.080021633000   .538743790000   .343172060000
  -.001084972700   .019820707000   .719502610000   .707670910000
   .001481501500  -.008048470500   .075407626000  -.419198580000
  -.001589405500   .004511331300  -.015835516000  -.756360600000
   .000146587530  -.001218907500   .003268605500  -.181120340000
   10    2
  191.410780      31.0462020
   2543.181300
   640.2715700
   223.9146100
   91.99439600
   41.69343100
   19.90641600
   9.717077400
   4.883468900
   2.432528600
   .9730000000
   .008221443300   .003622831700
   .050064511000   .022457137000
   .174652820000   .081861150000
   .361565890000   .180660550000
   .395834240000   .201236770000
   .174949270000  -.062978325000
   .020346150000  -.447292380000
   .000718789120  -.466504810000
  -.000332577880  -.146375320000
  -.000031664284  -.007180438800
    6    1
  18.3218900
   197.8714000
   60.66900700
   23.37581900
   9.804519500
   4.237300000
   1.737000000
   .017789954000
   .101766100000
   .288021930000
   .437993990000
   .332522010000
   .078110683000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MOQR7S-3D
End of Spectral Representation Operator

/Tc.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.13e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*TCQR6S-PDS(A1/71/61)
 13.000000         3

   11    1
   15850.41150
   2073.692430
   423.4825170
   40.18090330
   20.00672370
   6.703800150
   3.387579550
   1.448433050
   .6172253320
   .8960379490E-01
   .3417029860E-01
   .000693326584
   .004832194380
   .016457081500
  -.071041977600
  -.029780702500
   .160681379000
   .169250861000
  -.233804824000
  -.429354640000
   .688154742000
   .473508768000
    8    2
   981.5423050
   224.3143390
   68.69343450
   10.56887560
   5.902943430
   1.226454060
   .4536394280
   .7600000000E-01
   .007060673790   .000000000000
   .045174580800   .000000000000
   .114182633000   .000000000000
  -.230885655000   .000000000000
  -.248412388000   .000000000000
   .698152787000   .000000000000
   .427319690000   .000000000000
   .000000000000  1.000000000000
    7    2
   110.9117940
   31.36328280
   10.52651090
   1.441209070
   .5392325640
   .1840927880
   .6580000000E-01
  -.017252088700   .000000000000
  -.087116800400   .000000000000
  -.159042441000   .000000000000
   .384147272000   .000000000000
   .524818898000   .000000000000
   .275193349000   .000000000000
   .000000000000  1.000000000000
    3    1
 2.28316084
 0.81879403
 0.35061732
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: TCQR6S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   309200.0000
   42870.00000
   9463.000000
   2572.000000
   784.9000000
   237.4000000
   94.59000000
   25.55000000
   11.61500000
   3.646000000
   1.462600000

   .030343486923
   .040172220769
   .075457240000
   .126100392308
   .159289238462
   .270453330769
   .369868084615
   .374184007692
   .656350930769
   .140440953846
   .065032427692
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1557.54130      227.910380      42.1395540      6.60222270
   35253.09400
   5629.248000
   1467.565900
   487.6274700
   187.6622600
   57.00964700
   24.95802100
   8.453988100
   4.138378500
   1.454424600
   .7544591200
   .3430000000
   .019116250000   .006384476600   .002771614600   .001103812000
   .090806832000   .033160189000   .013996459000   .005630357800
   .273931650000   .103943780000   .045965098000   .018372409000
   .449994690000   .235993820000   .104391580000   .042427313000
   .299886480000   .174595610000   .088331074000   .035818083000
   .031649886000  -.503598010000  -.363072820000  -.158384230000
  -.013821747000  -.598031980000  -.565100990000  -.270572230000
   .005987346000  -.083109897000   .528410170000   .348454990000
  -.001590014700   .020955873000   .728551030000   .731843060000
   .001878489100  -.008549607400   .079748114000  -.421828700000
  -.001910808800   .004799905200  -.016600018000  -.766994580000
   .000208255150  -.001307016000   .003428972500  -.179013250000
   10    2
  203.614190      33.9196930
   2543.181300
   641.2715700
   224.8146100
   92.59439600
   42.05343100
   20.05641500
   9.847077400
   4.987468900
   2.497528600
   .9990000000
   .008979375700   .003988952200
   .053989915000   .024491360000
   .184791170000   .087583555000
   .371862020000   .188553410000
   .389337310000   .196384700000
   .160309260000  -.090232593000
   .016070565000  -.467453290000
   .000761020190  -.446770010000
  -.000434958000  -.126997740000
  -.000016740783  -.005673752800
    6    1
  20.5994360
   196.6714000
   60.36900700
   23.36581900
   9.884519500
   4.342300000
   1.814000000
   .020291337000
   .112965710000
   .305670710000
   .439226410000
   .308435250000
   .066289332000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TCQR6S-3D
End of Spectral Representation Operator

/Ru.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.14e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*RUQR5F-PDS(A1/71/61)
 14.000000         3

   11    1
   16917.15250
   2197.225080
   447.4694180
   42.11364560
   20.52792180
   7.274160700
   3.822400280
   1.497234750
   .6507377630
   .8852150840E-01
   .3363417650E-01
   .000668503753
   .004664125090
   .015870442500
  -.069952941100
  -.028338388800
   .147123233000
   .161075100000
  -.230844126000
  -.384290226000
   .672392743000
   .475274534000
    8    2
   1040.334830
   237.3559250
   72.66329720
   11.21018720
   6.382603030
   1.325554660
   .4819327720
   .7400000000E-01
   .007151491140   .000000000000
   .045898343100   .000000000000
   .116521121000   .000000000000
  -.233963836000   .000000000000
  -.249757755000   .000000000000
   .703025494000   .000000000000
   .424768010000   .000000000000
   .000000000000  1.000000000000
    7    2
   120.2252740
   34.07763790
   11.49486730
   1.566132190
   .5592740430
   .1752516960
   .7280000000E-01
  -.016490332400   .000000000000
  -.084466749000   .000000000000
  -.157297149000   .000000000000
   .386633296000   .000000000000
   .517189825000   .000000000000
   .306499651000   .000000000000
   .000000000000  1.000000000000
    3    1
 2.69244083
 0.96557125
 0.41346907
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: RUQR5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   327700.0000
   46000.00000
   10270.00000
   2820.000000
   864.9000000
   258.9000000
   102.1600000
   28.01000000
   12.67500000
   4.019000000
   1.576100000

   .028083737857
   .036768183571
   .068559163571
   .114576485714
   .147736835714
   .246952792857
   .349363842857
   .331515992857
   .624812278571
   .132797407143
   .061690427143
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1636.73070      241.167540      44.9631810      6.88249380
   38053.09400
   6019.248000
   1559.565900
   515.6274700
   197.6622600
   60.40964700
   26.45802100
   8.983988100
   4.428378500
   1.584424600
   .8024591200
   .3540000000
   .018939932000   .006361518100   .002776866600   .001115636700
   .089975460000   .032966399000   .014009214000   .005692266200
   .272522000000   .103861270000   .046179242000   .018621428000
   .450960010000   .236283290000   .105234930000   .043211927000
   .301685670000   .176395590000   .089612745000   .036629624000
   .031723228000  -.499262810000  -.362407760000  -.159647460000
  -.013926858000  -.601825750000  -.572097140000  -.277626340000
   .005972986900  -.085037915000   .527174870000   .355961790000
  -.001421019900   .021763538000   .731141800000   .742138200000
   .001742206800  -.008468768500   .079021310000  -.441000950000
  -.001816239300   .004458708700  -.014466027000  -.765519900000
   .000166908950  -.001213132600   .003042511600  -.172402690000
   10    2
  215.636700      36.3219800
   2603.181300
   657.2715700
   231.2146100
   95.49439600
   43.42343100
   20.67641600
   10.14707700
   5.135468900
   2.546528600
   .9150000000
   .009434425400   .004225637700
   .056097583000   .025689350000
   .189436450000   .090659140000
   .376090840000   .192820310000
   .386283910000   .194512090000
   .153786340000  -.105636410000
   .014017858000  -.483788720000
   .000681439650  -.435720040000
  -.000468675690  -.111018290000
  -.000020073999  -.003922117200
    6    1
  22.4014540
   198.4714000
   60.86900700
   23.60581900
   10.04452000
   4.463300000
   1.883000000
   .022416501000
   .122733600000
   .320834140000
   .440038900000
   .287640070000
   .056196070000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RUQR5F-3D
End of Spectral Representation Operator

/Rh.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.15e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*RHQR4F-PDS(A1/71/61)
 15.000000         3

   11    1
   18024.02580
   2323.245490
   471.1828550
   44.23952970
   18.23299160
   9.285180950
   4.768600670
   1.508772780
   .6851531740
   .9127517680E-01
   .3418784020E-01
   .000656546958
   .004587021010
   .015604443200
  -.070602085500
  -.039858761600
   .107495042000
   .191382923000
  -.227378213000
  -.349392621000
   .653871029000
   .487477151000
    8    2
   1102.089830
   251.0473740
   76.81274260
   11.80368720
   6.803866910
   1.438456790
   .5238838210
   .7500000000E-01
   .007268355070   .000000000000
   .046795685600   .000000000000
   .119424885000   .000000000000
  -.244239915000   .000000000000
  -.247823391000   .000000000000
   .707146655000   .000000000000
   .422239696000   .000000000000
   .000000000000  1.000000000000
    7    2
   129.1456640
   36.68062820
   12.43422500
   1.727806540
   .6217457830
   .1956656290
   .7620000000E-01
  -.016818936800   .000000000000
  -.087010901700   .000000000000
  -.163717916000   .000000000000
   .394688195000   .000000000000
   .515007529000   .000000000000
   .297629395000   .000000000000
   .000000000000  1.000000000000
    3    1
 3.13544427
 1.12444248
 0.48149962
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: RHQR4F1-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   342900.0000
   48160.00000
   10757.00000
   2959.000000
   915.0000000
   277.2000000
   109.5000000
   30.54000000
   13.74300000
   4.400000000
   1.714600000

   .026343455333
   .034474798000
   .064245998000
   .106875086667
   .136705726667
   .226416033333
   .328477813333
   .297319326667
   .595042906667
   .125351193333
   .058747653333
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1718.33140      255.117580      48.1510550      7.43073600
   40953.09400
   6449.248000
   1667.565900
   549.6274700
   209.6622600
   64.00964700
   28.05802100
   9.603988100
   4.768378500
   1.724424600
   .8724591200
   .3840000000
   .018779500000   .006340994300   .002781347000   .001131254900
   .088600929000   .032584698000   .013942281000   .005739098600
   .268776450000   .102726790000   .045892630000   .018734315000
   .450519120000   .235257060000   .105481970000   .043881785000
   .307088600000   .180467310000   .091759935000   .037964304000
   .032835387000  -.493450310000  -.360009580000  -.160725060000
  -.014567711000  -.606101910000  -.580494630000  -.286218480000
   .006258159900  -.087491870000   .515335710000   .355998380000
  -.001451667200   .022289991000   .741800060000   .759844300000
   .001823324400  -.008489641500   .082850490000  -.440359450000
  -.001903484300   .004365735400  -.014728197000  -.771272180000
   .000163566010  -.001193178000   .003111910000  -.174328200000
   10    2
  228.290030      39.0709180
   3033.181300
   763.2715700
   268.0146100
   110.6944000
   50.40343100
   24.19641600
   11.83707700
   5.978468900
   2.971528600
   1.118000000
   .008051382400   .003639616400
   .048523358000   .022308248000
   .168686560000   .081038784000
   .353091870000   .180619500000
   .397831530000   .208427140000
   .185587720000  -.049293557000
   .023436912000  -.450405950000
   .000346318610  -.475714840000
  -.000361161070  -.142799250000
  -.000069495081  -.006214180800
    6    1
  24.5368340
   199.6714000
   61.66900700
   24.18581900
   10.41451900
   4.682300000
   1.993000000
   .024715030000
   .130653220000
   .328622900000
   .437286220000
   .274829100000
   .050969707000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RHQR4F1-3D
End of Spectral Representation Operator

/Pd.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.16e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*PDQR3D-PDS(A1/71/61)
 16.000000         3

   11    1
   19143.61820
   2452.842670
   496.2237530
   46.69192300
   21.08295890
   9.638443980
   5.128485050
   1.662917930
   .7388970760
   .9314679750E-01
   .3451253020E-01
   .000644466051
   .004495697350
   .015281921500
  -.068180656500
  -.033270438400
   .095878059600
   .190373471000
  -.215993878000
  -.340017478000
   .641147069000
   .493260928000
    8    2
   1162.562500
   264.6187720
   80.98508910
   12.47188030
   7.284426230
   1.553012710
   .5663067730
   .7700000000E-01
   .007405123870   .000000000000
   .047715383700   .000000000000
   .122090852000   .000000000000
  -.250098350000   .000000000000
  -.249094313000   .000000000000
   .711177885000   .000000000000
   .419262512000   .000000000000
   .000000000000  1.000000000000
    7    2
   138.3067480
   39.35687280
   13.40255250
   1.895386920
   .6866714000
   .2170610280
   .8380000000E-01
  -.017080379100   .000000000000
  -.089154824400   .000000000000
  -.169323974000   .000000000000
   .401247684000   .000000000000
   .513018406000   .000000000000
   .290338805000   .000000000000
   .000000000000  1.000000000000
    3    1
 3.61217115
 1.29540772
 0.55470896
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: PDQR3D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   328700.0000
   47790.00000
   10906.00000
   3037.000000
   942.8000000
   286.3000000
   113.6900000
   31.49000000
   14.42400000
   4.534000000
   1.817500000

   .025696438125
   .032817888750
   .060775398750
   .100661668750
   .128688037500
   .215809275000
   .305715631250
   .288731650000
   .549498543750
   .114352481250
   .052252993750
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1802.10720      269.498320      51.4354660      7.98863420
   44553.09400
   6949.248000
   1784.565900
   585.6274700
   222.6622600
   67.50964700
   29.65802100
   10.19398800
   5.098378500
   1.884424600
   .9454591200
   .4140000000
   .018439366000   .006252480900   .002755392500   .001133719500
   .086976268000   .032122467000   .013833873000   .005757047700
   .265429150000   .101640770000   .045610385000   .018835363000
   .449497130000   .234222630000   .105673800000   .044442697000
   .312814250000   .183797260000   .093512557000   .039163396000
   .034624307000  -.489446810000  -.359437140000  -.162593760000
  -.015732116000  -.608274270000  -.586164100000  -.292947560000
   .006923398800  -.089758711000   .511243680000   .360567390000
  -.001791306900   .023380187000   .745213410000   .774081780000
   .002060755900  -.008774483300   .084715138000  -.438167410000
  -.002066884700   .004344085900  -.013520274000  -.781694660000
   .000178785580  -.001193959600   .002904726300  -.175367480000
   10    2
  241.311190      41.9003420
   3253.181300
   817.2715700
   286.5146100
   118.2944000
   53.90343100
   25.93641500
   12.70707700
   6.431468900
   3.198528600
   1.195000000
   .007828142700   .003565534700
   .047280672000   .021889722000
   .165349400000   .079976422000
   .349080370000   .179680350000
   .399000060000   .211175820000
   .191196170000  -.040625705000
   .025379989000  -.446492110000
   .000211202800  -.481523310000
  -.000359895940  -.146103620000
  -.000086652468  -.006431916500
    6    1
  26.7414910
   213.6714000
   66.16900700
   26.07581900
   11.29452000
   5.102300000
   2.178000000
   .024211087000
   .128355530000
   .324577530000
   .437092780000
   .278422980000
   .051948633000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PDQR3D-3D
End of Spectral Representation Operator

/Ag.ECP.Barandiaran.11s8p7d3f.1s2p2d1f.17e-CG-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*AGQR2S-PDS(A1/71/61)
 17.000000         3

   11    1
   20518.75760
   2606.726860
   524.1261300
   48.37225850
   18.15035200
   10.02657410
   4.855134220
   1.905406730
   .7923550780
   .9468349630E-01
   .3476888420E-01
   .000623423921
   .004358661900
   .014893217900
  -.069852776500
  -.044172259000
   .136505409000
   .173321718000
  -.217002025000
  -.333632479000
   .628020129000
   .500187283000
    8    2
   1224.633800
   278.5757910
   85.28367000
   13.14915150
   7.773860760
   1.671045850
   .6097773210
   .7800000000E-01
   .007533934140   .000000000000
   .048561235100   .000000000000
   .124548510000   .000000000000
  -.256368497000   .000000000000
  -.249181527000   .000000000000
   .714491229000   .000000000000
   .416944485000   .000000000000
   .000000000000  1.000000000000
    7    2
   147.7008570
   42.10173320
   14.39717500
   2.068775960
   .7547321860
   .2401668270
   .8660000000E-01
  -.017303581400   .000000000000
  -.091052335900   .000000000000
  -.174377818000   .000000000000
   .406790088000   .000000000000
   .511261271000   .000000000000
   .283491050000   .000000000000
   .000000000000  1.000000000000
    3    1
 4.12262147
 1.47846695
 0.63309709
   0.1737857
   0.5973381
   0.3929396
*
* Core AIMP: AGQR2S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   339100.0000
   48800.00000
   11082.00000
   3087.000000
   957.8000000
   292.6000000
   117.3000000
   32.26000000
   15.06700000
   4.650000000
   1.916800000

   .024511188824
   .031565950588
   .058359524706
   .096090570588
   .121900635294
   .207275635294
   .283978541176
   .283887505882
   .505975300000
   .104837364706
   .046323661176
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1888.06800      284.306350      54.8101750      8.55090180
   48253.09400
   7469.248000
   1906.565900
   622.6274700
   235.6622600
   71.30964700
   31.35802100
   10.86398800
   5.468378500
   2.054424600
   1.028459100
   .4490000000
   .018166858000   .006191106400   .002739873900   .001138973700
   .085482973000   .031683603000   .013731438000   .005769845400
   .262229570000   .100706880000   .045373268000   .018930775000
   .449107130000   .233345890000   .105927040000   .044978808000
   .317811740000   .187297210000   .095344411000   .040366889000
   .035937230000  -.484308350000  -.357326220000  -.163516810000
  -.016567852000  -.611707960000  -.593540540000  -.300160790000
   .007356532000  -.092075778000   .499863500000   .358457340000
  -.001945529100   .023924608000   .754542630000   .790635230000
   .002230127500  -.008820116600   .088747924000  -.425939290000
  -.002193080000   .004230460900  -.013189638000  -.793173250000
   .000176832060  -.001171335500   .002863920700  -.181818120000
   10    2
  254.693320      44.8031780
   3563.181300
   893.2715700
   312.9146100
   129.0944000
   58.77343100
   28.29641500
   13.83707700
   7.000468900
   3.480528600
   1.303000000
   .007358528800   .003376831500
   .044565198000   .020751682000
   .157541380000   .076615307000
   .339956580000   .175596370000
   .402463880000   .215853750000
   .203699170000  -.022013954000
   .029466762000  -.436000630000
   .000064150091  -.493473690000
  -.000342000870  -.155177560000
  -.000110974790  -.007132875700
    6    1
  29.0077480
   229.0714000
   70.96900700
   27.99581900
   12.15451900
   5.509300000
   2.359000000
   .023581713000
   .126200890000
   .322473130000
   .438089030000
   .279949270000
   .052078278000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AGQR2S-3D
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.2.3 Lanthanum and Third Series Transition Metal Elements
********************************************************************************
*
* - diffuse d functions from extrapolation of the outermost exponents
*
* - f-orthogonality function is the 4f core orbital; the outermost primitive
*   is splitted in order to act as a polarization function.
*
********************************************************************************
*
/La.ECP.Casarrubios.13s10p8d.1s2p2d.9e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.  relativistic
core[Cd] val[5p,6s,5d]SO-corr (13,11/911*/711d)=3s3p3d recommended
*LAQR2D-PDS(A3/91/71)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
  9.000000         2

   13    1
   36686.03180
   4303.777180
   839.6099580
   76.36175450
   33.35725240
   14.63661990
   7.776998570
   3.483210100
   1.797491280
   .7353590450
   .3133014600
   .4878339490E-01
   .2052710510E-01
  -.000388436672
  -.002719709310
  -.009017783370
   .043399612300
   .019082350600
  -.108429333000
  -.086748610600
   .152890424000
   .274052529000
  -.197101340000
  -.569942896000
   .775668012000
   .415814485000
   10    2
   2016.483550
   452.0637680
   137.7791000
   20.53733130
   10.71480700
   4.697095770
   2.559928280
   .5182039050
   .2009226900
   .3800000000E-01
  -.003393576360   .000000000000
  -.021175814200   .000000000000
  -.056657413000   .000000000000
   .169211412000   .000000000000
   .093931024400   .000000000000
  -.190178157000   .000000000000
  -.398756053000   .000000000000
   .733115065000   .000000000000
   .406528944000   .000000000000
   .000000000000  1.000000000000
    8    2
   258.9620760
   74.94539570
   26.59191990
   5.540608100
   2.937549660
   .3906326140
   .1131435050
   .3230000000E-01
   .005428915730   .000000000000
   .030855380400   .000000000000
   .062252685900   .000000000000
  -.076114102500   .000000000000
  -.167820676000   .000000000000
   .546038474000   .000000000000
   .595556888000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: LAQR(2D)-[CD]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   385600.0000
   62550.00000
   15745.00000
   4669.000000
   1517.100000
   491.8000000
   199.7300000
   63.93000000
   30.80300000
   5.617000000
   2.873000000
   1.064600000
   .5262000000

   .059079859000
   .067672194889
   .120322974444
   .193844038889
   .250600024444
   .409618584444
   .607406770000
   .480458585556
  1.257812733333
  1.125860144444
   .541191447778
   .191409401111
   .028056573000
M2
    0
COREREP
   1.0
PROJOP
    2
   15    5
  2881.66950      466.752290      103.190240      22.2848380      3.64275950
   121600.0000
   17260.00000
   4201.000000
   1325.000000
   485.7000000
   177.5000000
   85.25000000
   41.05000000
   16.06000000
   8.254000000
   3.482000000
   1.747000000
   .3123000000
   .6139000000
   .1450000000
   .013978134000   .005101717500   .002298766900   .001090331900   .000441185140
   .062456141000   .023419680000   .010859750000   .005059329300   .002060312000
   .196625140000   .078624597000   .035880202000   .017089535000   .006917577100
   .400592290000   .188355430000   .090890630000   .042588561000   .017386462000
   .402737980000   .254176930000   .123989450000   .060798693000   .024638383000
   .106008750000  -.083033305000  -.048831457000  -.029186099000  -.011685454000
  -.023910763000  -.596653210000  -.533911620000  -.279793360000  -.117889240000
   .002619860700  -.429085140000  -.414911430000  -.260941130000  -.111262090000
  -.001102835500  -.053492914000   .720933560000   .688344130000   .325097130000
   .007127388900   .016152997000   .594308630000   .730061350000   .376579580000
  -.003397318200  -.006693378800   .059753086000  -.779556510000  -.566298800000
  -.000717511050   .002156576900  -.007183681200  -.713516410000  -.754848030000
   .000824159450   .001195286900  -.001327521800   .009576247900   .697787330000
  -.000149589530  -.001271140900   .002603383100  -.047882921000   .639969970000
  -.000022498533  -.000200952300   .000386196240  -.001973273800   .092833892000
   12    3
  418.323190      87.3009980      16.8949180
   2327.000000
   575.4000000
   196.8000000
   77.98000000
   31.06000000
   14.23000000
   6.420000000
   3.133000000
   1.513000000
   .6199000000
   .2765000000
   .1112000000
   .029891209000   .014781110000   .006887328100
   .158383630000   .080201812000   .037159446000
   .408081240000   .226909340000   .108404730000
   .457167890000   .233363860000   .106696180000
   .136848380000  -.287119250000  -.198681630000
  -.012880063000  -.646341840000  -.487326120000
   .007416565800  -.214393580000   .107891040000
  -.003832686000   .001316658600   .702018580000
   .003138776900  -.004403511400   .346666600000
  -.001424464600   .001539488300   .026459055000
   .000228364780  -.000956193330  -.001772355000
  -.000193761340   .000162892260   .000272926600
    8    2
  64.2997310      8.81313380
   334.6000000
   103.2000000
   40.50000000
   17.56000000
   7.986000000
   3.679000000
   1.677000000
   .7092000000
   .029148935000   .013250518000
   .154582740000   .072457252000
   .378585310000   .176789980000
   .448617750000   .183247940000
   .195839080000  -.142998240000
   .018735311000  -.514790800000
   .000460486000  -.412404830000
  -.000309389850  -.090423018000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LAQR(2D)-[CD]
End of Spectral Representation Operator

/Hf.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.10e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.  relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*HFQR3F-PDS(A3/91/81/5)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
 10.000000         3

   13    1
   612230.7460
   51986.41300
   7729.480730
   1546.070920
   130.9383560
   130.0517980
   22.13444280
   6.618354540
   3.404340000
   1.304989070
   .5415566370
   .8406897760E-01
   .3306557480E-01
  -.000084335509
  -.000590717815
  -.003029200910
  -.009423409740
   .051830778100
  -.001024904040
  -.156974021000
   .127188531000
   .243319910000
  -.214412837000
  -.485885389000
   .695700032000
   .481490293000
   10    2
   3724.395380
   811.7119280
   243.6880740
   37.38736500
   17.12985780
   12.76489240
   5.337663940
   .9383399580
   .3473389700
   .5900000000E-01
  -.002591127800   .000000000000
  -.022459517000   .000000000000
  -.061303499500   .000000000000
   .178855118000   .000000000000
   .195863485000   .000000000000
  -.226086927000   .000000000000
  -.437182834000   .000000000000
   .711841975000   .000000000000
   .417659668000   .000000000000
   .000000000000  1.000000000000
    9    2
   506.9084080
   146.3511580
   52.63320590
   9.730588590
   4.996020990
   .9368231620
   .3290608100
   .1034924180
   .3250000000E-01
   .004184429410   .000000000000
   .025760205900   .000000000000
   .056627177900   .000000000000
  -.104468933000   .000000000000
  -.108512187000   .000000000000
   .323149704000   .000000000000
   .534085453000   .000000000000
   .364926191000   .000000000000
   .000000000000  1.000000000000
    5    1
   48.53704200
   15.26393600
   5.479467200
   1.947654000
   .6255320000
   .108456240000
   .348345140000
   .471965000000
   .347568300000
   .124737680000
*
* Core AIMP: HFQR(3F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   621798.4200
   148175.7000
   49294.14800
   17937.09600
   6966.208200
   2798.424900
   1111.219800
   487.4033200
   235.7813500
   85.78008400
   51.39217100
   11.72510600
   5.876293000
   2.297822000
   .9677370000

   .054558293000
   .044019284000
   .070146144000
   .109187880000
   .157065820000
   .197204060000
   .280215260000
   .494065300000
   .371207240000
   .731652640000
   .891493320000
  1.312678500000
   .987941770000
   .421681030000
   .076883427000
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  4843.44450      838.543770      195.338320      41.5711480      5.89830710
   571980.7500
   70671.44800
   15349.62900
   4420.980100
   1522.321600
   593.9305800
   204.1199100
   90.93768100
   33.43857300
   17.78180000
   7.102072500
   3.577996300
   1.258292500
   .6579000000
   .3010300000
   .009086659900   .003560466600   .001675794100   .000823012880   .000325817620
   .035588671000   .013949998000   .006704035100   .003252143100   .001281021200
   .112366500000   .047237556000   .022416692000   .011058670000   .004383732100
   .276286820000   .121607730000   .059790828000   .029103022000   .011469448000
   .426173960000   .237327290000   .117678200000   .058936482000   .023456063000
   .296627230000   .155474900000   .083217621000   .040156590000   .015729842000
   .032886142000  -.453384430000  -.378905060000  -.207049230000  -.083664464000
  -.024150211000  -.627342280000  -.648119410000  -.400595630000  -.167701730000
   .008950908300  -.112367180000   .503413920000   .520188710000   .244704420000
   .004916619100   .035108125000   .775598650000   .920807440000   .447090190000
  -.000003383700  -.012658525000   .102302370000  -.681242470000  -.480505370000
  -.004794640400   .004208257700  -.017668543000  -.789514340000  -.765495500000
   .001014998100  -.002863424700   .006342879500  -.066299896000   .430881320000
   .000570983600   .002496300700  -.003217133600   .014349287000   .773600710000
   .000325884710  -.000339016560   .000932356520  -.002652908200   .181894360000
   12    3
  737.887000      164.592250      31.2640300
   14630.51400
   3456.323000
   1162.754800
   465.7143600
   207.2332400
   98.68592100
   47.80435600
   24.53194100
   12.62083200
   6.480316000
   3.268110300
   1.499500000
   .004755410200   .002453325200   .001185658400
   .028210387000   .014649565000   .007096922200
   .107041980000   .057629296000   .028135061000
   .270446270000   .152576160000   .075413580000
   .409978650000   .246039370000   .123410660000
   .297924020000   .096765807000   .034727506000
   .068262423000  -.379009360000  -.284517840000
  -.004231725500  -.551953280000  -.442312090000
   .000103635850  -.197137840000   .113728810000
   .001114892600  -.013225655000   .640324300000
   .001303392100  -.000607098470   .405059210000
   .000112613900   .000245750850   .051703165000
   10    2
  127.249090      17.5387040
   1837.081400
   565.7093900
   223.6540600
   99.13248000
   46.72148600
   22.99263300
   11.30913100
   5.518875000
   2.625500000
   1.130000000
   .003118911300   .001560182700
   .023221616000   .011443308000
   .098901540000   .050323837000
   .265519470000   .135586730000
   .415678700000   .206059360000
   .317918570000   .054734588000
   .088305495000  -.333509360000
   .004860231200  -.499520870000
   .000396240180  -.273969070000
  -.000061943517  -.043442891000
    5    1
  2.27006260
   48.53704200
   15.26393600
   5.479467200
   1.947654000
   .6255320000
   .108456240000
   .348345140000
   .471965000000
   .347568300000
   .124737680000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HFQR(3F)-[CD]4F
End of Spectral Representation Operator

/Ta.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.11e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.   relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*TAQR4F-PDS(A3/91/81/5)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
 11.000000         3

   13    1
   630245.8800
   53145.53440
   7866.757090
   1579.334630
   141.9202480
   68.93983050
   27.91370910
   22.21234680
   5.116817510
   4.796738220
   .7311897250
   .7994152640E-01
   .3072523720E-01
  -.000090883165
  -.000634177003
  -.003231114820
  -.009800980120
   .047187258000
   .012061413600
  -.064139670600
  -.096745988700
   .204773553000
   .106174347000
  -.614568071000
   .801490700000
   .346434891000
   10    2
   3876.079010
   842.3154570
   252.2930870
   38.89207060
   19.51911260
   13.69789600
   5.692496200
   .9927915490
   .3692844610
   .6500000000E-01
  -.002619130740   .000000000000
  -.023079813300   .000000000000
  -.063168721900   .000000000000
   .178911300000   .000000000000
   .158268434000   .000000000000
  -.165842607000   .000000000000
  -.465792517000   .000000000000
   .729002135000   .000000000000
   .400926435000   .000000000000
   .000000000000  1.000000000000
    9    2
   524.1510530
   151.3646800
   54.52160470
   10.20420260
   5.256139750
   1.023559770
   .3732501960
   .1214853360
   .3950000000E-01
   .004640419130   .000000000000
   .028435069600   .000000000000
   .062379415700   .000000000000
  -.113780814000   .000000000000
  -.120556240000   .000000000000
   .343171956000   .000000000000
   .535740277000   .000000000000
   .331114082000   .000000000000
   .000000000000  1.000000000000
    5    1
   53.46524200
   16.95393600
   6.178557200
   2.245514000
   .7417920000
   .101126390000
   .336910560000
   .472491420000
   .353353760000
   .122884120000
*
* Core AIMP: TAQR(4F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   643635.7500
   154184.8000
   51514.93200
   18816.65400
   7344.054100
   2977.762100
   1194.849300
   523.8209800
   255.3187900
   91.95020400
   54.35570500
   12.32300500
   6.290440900
   2.527589800
   1.103188000

   .049671954545
   .039857181818
   .063370293636
   .098387590909
   .140950863636
   .176378509091
   .246950109091
   .438969672727
   .352688045455
   .624047890909
   .863053818182
  1.181500363636
   .911425909091
   .378344854545
   .070766551818
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  4997.45130      869.012040      203.442340      43.7661280      6.39324100
   615968.9100
   75405.84400
   16263.71300
   4658.787400
   1596.487200
   619.9388200
   212.4662600
   94.58056200
   34.83153400
   18.54652700
   7.428070000
   3.761995000
   1.339484500
   .7037110000
   .3210000000
   .009098857000   .003579374000   .001688747600   .000831645240   .000334452130
   .035355718000   .013924890000   .006701259900   .003262686900   .001306045200
   .111149910000   .046915813000   .022319119000   .011040499000   .004445850100
   .273690040000   .120806150000   .059460753000   .029048218000   .011634005000
   .425889310000   .236639080000   .117561770000   .059017286000   .023858062000
   .301126060000   .158008070000   .084330995000   .040893257000   .016289682000
   .034226755000  -.449131610000  -.375868640000  -.206288000000  -.084751014000
  -.025105492000  -.630030750000  -.651346690000  -.403520240000  -.171665860000
   .009262592800  -.114310470000   .495527770000   .515050080000   .246611190000
   .005104086900   .035893415000   .781013480000   .929924230000   .459872980000
   .000097936057  -.013010538000   .104899240000  -.670818480000  -.483393660000
  -.005112035300   .004312053800  -.018328206000  -.799198220000  -.792238550000
   .001103227000  -.002969178400   .006550638300  -.068383011000   .443892930000
   .000601031640   .002592190200  -.003264269700   .014489844000   .779625920000
   .000336997780  -.000341955870   .000936157980  -.002621250400   .176700380000
   12    3
  763.329360      171.313570      32.9985380
   15460.04500
   3643.260200
   1223.770900
   489.3079100
   217.4521700
   103.4859700
   50.13630000
   25.74292400
   13.26360900
   6.816244500
   3.446410900
   1.590100000
   .004658755900   .002410339500   .001170048800
   .027538921000   .014341282000   .006974917000
   .104724760000   .056503393000   .027701598000
   .266506280000   .150585720000   .074707146000
   .408802120000   .245753720000   .123805840000
   .302919000000   .103678220000   .038828436000
   .071614357000  -.369877970000  -.279269660000
  -.004299588300  -.555302060000  -.447582550000
   .000070564801  -.203949580000   .100509820000
   .001128582000  -.014313692000   .640171330000
   .001383856700  -.000565802760   .412476670000
   .000119518700   .000270339020   .053116981000
   10    2
  132.782400      18.7846460
   1938.410100
   596.7895900
   235.9706000
   104.6456600
   49.39359700
   24.35619400
   12.02242700
   5.888704000
   2.817600000
   1.226000000
   .002999923000   .001510177500
   .022364089000   .011108998000
   .095856325000   .049100843000
   .259889470000   .133797280000
   .412860690000   .206758600000
   .323844410000   .064003262000
   .093698064000  -.323062920000
   .005601892800  -.502106170000
   .000383964750  -.281699120000
  -.000076245861  -.045300708000
    5    1
  2.94420280
   53.46524200
   16.95393600
   6.178557200
   2.245514000
   .7417920000
   .101126390000
   .336910560000
   .472491420000
   .353353760000
   .122884120000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TAQR(4F)-[CD]4F
End of Spectral Representation Operator

/W.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.12e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.   relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*WQR5D-PDS(A3/91/81/5)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
 12.000000         3

   13    1
   679966.9660
   57095.38250
   8332.636450
   1650.714190
   149.0884330
   55.40877920
   35.49844660
   21.98907770
   5.049550440
   1.044822290
   .5968733400
   .9824487110E-01
   .3746289490E-01
  -.000093412565
  -.000646345030
  -.003317884450
  -.010130678600
   .047414413100
   .040003328700
  -.091574686300
  -.099343367300
   .336145378000
  -.308537645000
  -.360320199000
   .710997564000
   .467179909000
   10    2
   4040.966310
   876.2409670
   261.9688860
   39.97278200
   19.62336510
   13.97294910
   5.912430200
   1.063694170
   .3989446680
   .6900000000E-01
  -.002601839240   .000000000000
  -.023615623300   .000000000000
  -.065000243000   .000000000000
   .188695376000   .000000000000
   .163014235000   .000000000000
  -.179795406000   .000000000000
  -.475253435000   .000000000000
   .734677323000   .000000000000
   .398649162000   .000000000000
   .000000000000  1.000000000000
    9    2
   544.7880510
   157.3063640
   56.66828410
   10.58872470
   5.463258390
   1.117660620
   .4188744400
   .1392230010
   .4630000000E-01
   .004955001530   .000000000000
   .030492955500   .000000000000
   .067274761400   .000000000000
  -.124250007000   .000000000000
  -.128096782000   .000000000000
   .355920539000   .000000000000
   .535570437000   .000000000000
   .310825630000   .000000000000
   .000000000000  1.000000000000
    5    1
   58.29124200
   18.61193600
   6.866127200
   2.540624000
   .8579950000
   .095422363000
   .327623580000
   .472872890000
   .357926370000
   .121119030000
*
* Core AIMP: WQR(5D)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   660569.7200
   158083.0100
   52764.71800
   19274.80600
   7558.159200
   3092.305900
   1253.198800
   552.1107200
   270.8924500
   97.61318400
   57.19236100
   12.96454600
   6.753919000
   2.769870000
   1.232576000

   .045852562500
   .036836336667
   .058582359167
   .090622958333
   .128513275000
   .160042625000
   .222702308333
   .395806725000
   .330151966667
   .544315766667
   .824976991667
  1.064275083333
   .852047416667
   .346025091667
   .065915195000
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5154.58740      900.240940      211.787320      46.0443790      6.89647610
   656919.8400
   79945.84800
   17156.97500
   4891.964600
   1669.368900
   645.7646100
   220.9994100
   98.31109900
   36.28334700
   19.34325200
   7.767997600
   3.956981300
   1.428182600
   .7524900000
   .3423390000
   .009173220900   .003623025200   .001713353300   .000846158590   .000345332590
   .035278273000   .013963442000   .006728958200   .003288325800   .001336303400
   .110294880000   .046748576000   .022293628000   .011059104000   .004519332300
   .271671630000   .120316950000   .059285247000   .029070194000   .011819934000
   .425494320000   .236047190000   .117493380000   .059132255000   .024257022000
   .304718610000   .159837680000   .085072304000   .041440466000   .016767104000
   .035406084000  -.445214410000  -.373098600000  -.205673450000  -.085823827000
  -.026016694000  -.632341590000  -.654229830000  -.406310270000  -.175485420000
   .009538786300  -.116184550000   .487057120000   .509212670000   .247924270000
   .005328283000   .036599242000   .786811620000   .939698710000   .472855150000
   .000202197450  -.013332286000   .107773630000  -.659314800000  -.485108520000
  -.005442660100   .004402413400  -.019088867000  -.809526080000  -.819121130000
   .001187164800  -.003065991400   .006776597300  -.070702347000   .453988500000
   .000636119390   .002677378900  -.003309569400   .014549588000   .786066340000
   .000350201030  -.000341039080   .000942374880  -.002588647000   .173728390000
   12    3
  789.283670      178.212480      34.7946710
   16154.55800
   3799.008700
   1275.973600
   510.8216700
   227.2767300
   108.2254400
   52.41726600
   26.92484700
   13.88497300
   7.141451800
   3.620011400
   1.676700000
   .004637074200   .002406135100   .001173270500
   .027298064000   .014256777000   .006962412300
   .103425770000   .055945017000   .027548206000
   .263220010000   .148997730000   .074212898000
   .406904960000   .245067560000   .124007300000
   .306878150000   .109125380000   .042107125000
   .074618960000  -.362524010000  -.275460230000
  -.004470131800  -.557987510000  -.452144250000
   .000087503935  -.209319040000   .090804278000
   .001128465700  -.015122994000   .640917930000
   .001467971100  -.000527793700   .417433940000
   .000122488450   .000297367480   .053656669000
   10    2
  138.458720      20.0774790
   2003.844500
   616.8414200
   244.3729800
   108.6716200
   51.41533200
   25.40428600
   12.57845100
   6.188276000
   2.980400000
   1.309000000
   .003007157200   .001524735900
   .022347213000   .011188615000
   .095310508000   .049193001000
   .258095760000   .133923680000
   .411529420000   .207804580000
   .325087110000   .066515566000
   .095428605000  -.320223140000
   .005915782300  -.502662390000
   .000356134050  -.283095440000
  -.000087186755  -.045214482000
    5    1
  3.65805890
   58.29124200
   18.61193600
   6.866127200
   2.540624000
   .8579950000
   .095422363000
   .327623580000
   .472872890000
   .357926370000
   .121119030000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
WQR(5D)-[CD]4F
End of Spectral Representation Operator

/Re.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.13e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.   relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*REQR6S-PDS(A3/91/81/5)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
 13.000000         3

   13    1
   711410.5670
   59280.68730
   8622.059960
   1713.657080
   153.4368230
   57.23441010
   34.85998880
   22.83522950
   5.272314470
   1.092037580
   .6231358280
   .1063882720
   .4004388940E-01
  -.000097392890
  -.000670010143
  -.003414931450
  -.010263991200
   .049157820900
   .033764922500
  -.093341868300
  -.095702785900
   .345776657000
  -.346728182000
  -.328816560000
   .699313022000
   .480419965000
   10    2
   4194.301010
   907.8465170
   271.1176830
   41.08718830
   19.81780160
   13.76058870
   6.121234300
   1.134559440
   .4272993240
   .7300000000E-01
  -.002611718820   .000000000000
  -.024201029800   .000000000000
  -.066704280800   .000000000000
   .198948274000   .000000000000
   .150895817000   .000000000000
  -.182136260000   .000000000000
  -.479117483000   .000000000000
   .742259270000   .000000000000
   .394645954000   .000000000000
   .000000000000  1.000000000000
    9    2
   561.8287200
   162.3450770
   58.63737600
   11.05890640
   5.737940380
   1.206606550
   .4621330220
   .1569422240
   .5330000000E-01
   .005339225380   .000000000000
   .032527251500   .000000000000
   .071511170000   .000000000000
  -.131382663000   .000000000000
  -.136480712000   .000000000000
   .369670400000   .000000000000
   .534424082000   .000000000000
   .290934964000   .000000000000
   .000000000000  1.000000000000
    5    1
   63.04834200
   20.24913600
   7.546417200
   2.834384000
   .9743070000
   .090861845000
   .319953200000
   .473194080000
   .361582940000
   .119418270000
*
* Core AIMP: REQR(6S)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   606460.6200
   150413.2000
   51621.50800
   19261.38600
   7672.500200
   3178.712900
   1304.143800
   578.8524200
   285.6954500
   103.0692800
   59.91594100
   13.57713600
   7.178957000
   2.996053000
   1.350841000

   .044657999231
   .034627073077
   .054474319231
   .083619176923
   .117736446154
   .146094600000
   .202641115385
   .359839400000
   .309644861538
   .483986846154
   .784819384615
   .974586461538
   .795604076923
   .316290607692
   .060608383077
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5314.89480      932.235140      220.365830      48.3954720      7.40232100
   694496.4400
   84301.98900
   18015.47500
   5116.211800
   1740.132200
   671.1236600
   229.7099100
   102.1270000
   37.78453200
   20.16729800
   8.122847400
   4.162632500
   1.523939600
   .8040700100
   .3650700000
   .009299446600   .003687679300   .001747892400   .000865715860   .000358137680
   .035344316000   .014061517000   .006785290500   .003328291100   .001371468200
   .109881230000   .046771890000   .022358032000   .011122958000   .004607457400
   .270258020000   .120152800000   .059272423000   .029173462000   .012028147000
   .424997480000   .235561950000   .117476820000   .059279705000   .024648183000
   .307374160000   .160939340000   .085432466000   .041793939000   .017152857000
   .036324629000  -.441695000000  -.370656210000  -.205241400000  -.086883903000
  -.026823574000  -.634260120000  -.656708040000  -.408895090000  -.179089060000
   .009738370900  -.118007540000   .478512130000   .503184080000   .248835360000
   .005620209100   .037285268000   .792555930000   .949696480000   .485707150000
   .000287173110  -.013652902000   .110777140000  -.647018140000  -.485620270000
  -.005770872900   .004491814300  -.019875231000  -.820388130000  -.845785290000
   .001258297800  -.003161755100   .006994107200  -.073225688000   .461057930000
   .000680576980   .002757807300  -.003340351300   .014539783000   .792961120000
   .000364562290  -.000337852550   .000948231230  -.002556190000   .172755630000
   12    3
  815.742630      185.278520      36.6413400
   17151.14500
   4023.270000
   1348.536300
   538.6912600
   239.1807900
   113.7185700
   55.07245300
   28.28873400
   14.60328900
   7.511004100
   3.813712000
   1.770400000
   .004508467600   .002345558900   .001149057800
   .026460271000   .013856467000   .006794305100
   .100585140000   .054506654000   .026957418000
   .258376840000   .146431520000   .073210754000
   .405527020000   .244541440000   .124298610000
   .312861900000   .117236560000   .046991288000
   .078748766000  -.351374340000  -.268621130000
  -.004425748900  -.561770370000  -.457996360000
   .000010311248  -.217487410000   .075440999000
   .001152138900  -.016464413000   .641263320000
   .001552370700  -.000470934930   .425505820000
   .000130529650   .000322963330   .054816978000
   10    2
  144.266540      21.4065450
   2128.395600
   653.9319000
   258.6273800
   114.8915100
   54.37026200
   26.88684700
   13.33903600
   6.580660000
   3.183000000
   1.407000000
   .002851557500   .001456213500
   .021324293000   .010758670000
   .091931490000   .047777634000
   .252216180000   .131923040000
   .408867530000   .208665560000
   .331440350000   .075779409000
   .101025120000  -.310465200000
   .006670072000  -.505528940000
   .000348120990  -.289990600000
  -.000102764590  -.046609563000
    5    1
  4.40207160
   63.04834200
   20.24913600
   7.546417200
   2.834384000
   .9743070000
   .090861845000
   .319953200000
   .473194080000
   .361582940000
   .119418270000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
REQR(6S)-[CD]4F
End of Spectral Representation Operator

/Os.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.14e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.   relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*OSQR5D-PDS(A3/91/81/5)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
 14.000000         3

   13    1
   738398.8570
   61061.62360
   8783.576880
   1767.536370
   158.7369660
   58.32845880
   35.37162130
   23.21864620
   5.496166940
   1.179731430
   .6840369880
   .1145407070
   .4276153970E-01
  -.000101076215
  -.000693843285
  -.003550075300
  -.010225969000
   .050171898800
   .034903757900
  -.103978614000
  -.090541356900
   .357830296000
  -.341897332000
  -.341928303000
   .699088071000
   .480753279000
   10    2
   4358.905490
   941.2261360
   280.5967330
   42.35705480
   20.57947350
   13.78369730
   6.366766950
   1.206648290
   .4559491410
   .7700000000E-01
  -.002613709470   .000000000000
  -.024766073700   .000000000000
  -.068431808800   .000000000000
   .206311381000   .000000000000
   .137323196000   .000000000000
  -.175642122000   .000000000000
  -.486946526000   .000000000000
   .751293654000   .000000000000
   .388825287000   .000000000000
   .000000000000  1.000000000000
    9    2
   582.6922990
   168.3539420
   60.84594000
   11.48626660
   6.007165900
   1.299079100
   .4997742740
   .1687657450
   .5700000000E-01
   .005446858600   .000000000000
   .034040386000   .000000000000
   .075140017600   .000000000000
  -.138481977000   .000000000000
  -.141675476000   .000000000000
   .380751354000   .000000000000
   .530655116000   .000000000000
   .284833285000   .000000000000
   .000000000000  1.000000000000
    5    1
   67.87353300
   21.91277700
   8.239433300
   3.135450000
   1.095120000
   .086894155000
   .313010290000
   .473318940000
   .364999200000
   .117998580000
*
* Core AIMP: OSQR(5D)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   674621.6200
   166590.2000
   57046.60800
   21245.68600
   8442.120200
   3478.442900
   1417.743800
   621.4944200
   305.1574500
   109.1632800
   62.71214100
   14.19093600
   7.588817000
   3.207963000
   1.461971000

   .040121949286
   .031199622857
   .049075884286
   .075465342857
   .107381178571
   .135275521429
   .184299292857
   .329413678571
   .299992864286
   .433427785714
   .750952857143
   .901255714286
   .746047785714
   .289717142857
   .054944805714
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5478.47470      965.057560      229.226980      50.8645620      7.95327780
   739572.3200
   85547.84800
   15528.03500
   4050.347000
   1336.539000
   496.4113400
   213.3226200
   95.75985200
   42.97426400
   21.37614400
   9.315632900
   4.610727800
   1.810548200
   .9389274400
   .4150812000
   .009178588100   .003617233000   .001724912600   .000854302310   .000359045400
   .039842909000   .016146049000   .007759308100   .003836273900   .001598839300
   .142538350000   .060547242000   .029230075000   .014521346000   .006108651500
   .340073780000   .159233420000   .078536856000   .039055573000   .016282506000
   .453491730000   .261120840000   .133224250000   .067244112000   .028517206000
   .208503620000   .072110458000   .032162804000   .014731840000   .005399273600
  -.013915442000  -.536074740000  -.447558680000  -.251754980000  -.107120770000
  -.006658963200  -.551136740000  -.626587620000  -.398787320000  -.180600460000
  -.002195714700  -.074559101000   .484786880000   .468200730000   .235930600000
   .015218918000   .006720321500   .830686470000  1.051801500000   .543524170000
  -.004325752300   .000021770588   .115193820000  -.550146980000  -.396752370000
  -.003307263800  -.003656934700  -.009198316600  -.919882460000  -.960553450000
  -.000670635340   .000528922950   .002693844000  -.092012084000   .310963510000
   .001855941500   .000587554940  -.000683021520   .011315359000   .898887800000
   .000218898780   .000259179690   .000363743800  -.001805191500   .217550920000
   12    3
  842.756530      192.557520      38.5826760
   17826.90900
   4175.568600
   1398.288600
   558.2008900
   247.7993400
   117.8368000
   57.10601700
   29.36051000
   15.17484000
   7.813559800
   3.978432500
   1.850722000
   .004518798900   .002357455600   .001159957100
   .026391190000   .013860263000   .006825922300
   .100166160000   .054419931000   .027032619000
   .257390990000   .146203190000   .073412502000
   .404896700000   .244564640000   .124841630000
   .314120940000   .118859040000   .048037785000
   .079798785000  -.349120770000  -.268699580000
  -.004545379500  -.562145970000  -.460509770000
  -.000031866672  -.219440650000   .072891570000
   .001211165500  -.016788010000   .643398490000
   .001608084100  -.000407888400   .426018420000
   .000134532970   .000346111180   .053995581000
   10    2
  150.250630      22.8156680
   1581.617600
   490.9893200
   197.5390400
   90.06707300
   43.96605100
   22.36507000
   11.44001900
   5.811439100
   2.890600300
   1.304100000
   .005551511000   .002839303600
   .038003954000   .019481961000
   .141907890000   .074727930000
   .317504390000   .167237500000
   .407275880000   .195903460000
   .247241750000  -.031691621000
   .055819027000  -.388482340000
   .002765846700  -.465807570000
   .000045646427  -.217648920000
  -.000041799471  -.028223420000
    5    1
  5.22077450
   67.87353300
   21.91277700
   8.239433300
   3.135450000
   1.095120000
   .086894155000
   .313010290000
   .473318940000
   .364999200000
   .117998580000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
OSQR(5D)-[CD]4F
End of Spectral Representation Operator

/Ir.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.15e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.   relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*IRQR4F-PDS(A3/91/81/5)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
 15.000000         3

   13    1
   786802.3000
   64316.67760
   9137.227990
   1833.038660
   164.8515060
   59.37377460
   34.59222390
   23.76380190
   5.731384000
   1.244801270
   .7209270290
   .1232732120
   .4555070080E-01
  -.000103617280
  -.000710492285
  -.003641948620
  -.010362187000
   .051354153200
   .031351300200
  -.116857566000
  -.078112326800
   .368037847000
  -.365769312000
  -.325575675000
   .693033466000
   .488251253000
   10    2
   4533.497470
   976.4820100
   290.5702710
   43.40518430
   20.75141400
   13.32287450
   6.561332400
   1.284482830
   .4871597600
   .8100000000E-01
  -.002601276450   .000000000000
  -.025268093500   .000000000000
  -.070058160200   .000000000000
   .217607538000   .000000000000
   .120243479000   .000000000000
  -.181022413000   .000000000000
  -.483698072000   .000000000000
   .757173195000   .000000000000
   .386915830000   .000000000000
   .000000000000  1.000000000000
    9    2
   602.8830730
   174.1945550
   63.01763170
   11.97052740
   6.321228510
   1.390198730
   .5383170950
   .1822674040
   .6170000000E-01
   .005643833560   .000000000000
   .035520748200   .000000000000
   .078532638400   .000000000000
  -.143545903000   .000000000000
  -.147745374000   .000000000000
   .392095963000   .000000000000
   .527469604000   .000000000000
   .275500889000   .000000000000
   .000000000000  1.000000000000
    5    1
   72.66477300
   23.56748500
   8.929802300
   3.436769000
   1.216413000
   .083616677000
   .307153270000
   .473460980000
   .367770990000
   .116583760000
*
* Core AIMP: IRQR(4F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   643773.6200
   160530.2000
   55354.70800
   20752.58600
   8306.010200
   3456.892900
   1425.223800
   632.6114200
   312.8004500
   112.8892800
   65.08854100
   14.74043600
   7.933307000
   3.391803000
   1.560851000

   .038981402667
   .030048554667
   .047118664667
   .072020766667
   .101152853333
   .125778440000
   .173141593333
   .307620660000
   .275471660000
   .402643080000
   .702576133333
   .849778600000
   .694458266667
   .263621320000
   .048921351333
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5645.33140      998.672800      238.323520      53.4017190      8.50586750
   725248.3200
   84331.20100
   15014.91300
   3821.351600
   1267.150500
   497.7778000
   214.7649700
   96.95930400
   44.65569400
   20.69293000
   9.617055300
   4.472367700
   2.080128200
   .9675000500
   .4244599700
   .009812570300   .003880341800   .001865456000   .000929050460   .000395661370
   .042363209000   .017301057000   .008276300100   .004096210300   .001726497600
   .154917450000   .066218646000   .032253886000   .016115013000   .006868818300
   .365120460000   .174021770000   .085432128000   .042519498000   .017921539000
   .439173450000   .257105370000   .134089980000   .068413483000   .029501287000
   .178190810000   .041499994000   .007961750700   .000952135500  -.000751950420
  -.004712856800  -.542022850000  -.445820540000  -.250310560000  -.107373930000
  -.014761390000  -.538757290000  -.645606720000  -.418733840000  -.193239390000
   .004814007900  -.064030243000   .571245430000   .550215380000   .280028790000
   .011736770000   .002281377600   .819143580000  1.084576300000   .574177380000
  -.003444883900   .001719682100   .052137891000  -.736898430000  -.526933180000
  -.004458440900  -.005090823400   .017433270000  -.847530870000  -.986168550000
   .000319566160   .001554512100  -.010039664000  -.048528483000   .419983860000
   .001484463000   .000296084320   .004983517700  -.008883802000   .910564850000
   .000291864120   .000328571820  -.000985069210   .001846507200   .189956780000
   12    3
  870.276590      199.998810      40.5680290
   17667.93900
   4117.664600
   1377.360700
   549.4505800
   243.7973900
   115.9772500
   56.26005700
   28.97267500
   14.93412600
   7.737169000
   3.961304900
   1.838060000
   .004868283900   .002548769300   .001257500200
   .028383589000   .014954876000   .007408304000
   .106685090000   .058247838000   .029042958000
   .269577850000   .153950710000   .077800964000
   .410144600000   .248423650000   .127124880000
   .299648430000   .096519061000   .034671786000
   .068533617000  -.384068910000  -.298741210000
  -.005134945900  -.550243220000  -.448418220000
   .000027744576  -.194511760000   .128765520000
   .001484687400  -.011993273000   .654078810000
   .001489625900  -.000498286570   .390479820000
   .000119799940   .000384578800   .043561865000
   10    2
  156.359160      24.2546780
   2036.139700
   626.1798100
   250.1735000
   113.0201700
   54.51030800
   27.44272800
   13.86384400
   6.950228900
   3.419321900
   1.535947100
   .003582246300   .001851683100
   .025939878000   .013327262000
   .105440960000   .055736329000
   .268599700000   .142736570000
   .406601390000   .208124930000
   .308937480000   .052912746000
   .090554564000  -.326450910000
   .005985220000  -.499346040000
   .000189950930  -.274428750000
  -.000098033044  -.041423111000
    5    1
  6.06423790
   72.66477300
   23.56748500
   8.929802300
   3.436769000
   1.216413000
   .083616677000
   .307153270000
   .473460980000
   .367770990000
   .116583760000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
IRQR(4F)-[CD]4F
End of Spectral Representation Operator

/Pt.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.16e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.   relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*PTQR3F-PDS(A3/91/81/5)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
 16.000000         3

   13    1
   977472.1900
   77289.67970
   10722.55810
   1984.167660
   166.7238410
   66.55730460
   32.10794140
   26.97318950
   5.812336600
   1.826433650
   .9160704770
   .1299523800
   .4793529770E-01
  -.000103299783
  -.000703146124
  -.003607578880
  -.011726625100
   .056262093400
   .017791917100
  -.132462257000
  -.054118394400
   .397180185000
  -.176553784000
  -.536686621000
   .696874412000
   .477008855000
   10    2
   4727.096990
   1015.121790
   301.3314680
   44.25540080
   20.13795110
   12.30594290
   6.657297210
   1.365660910
   .5189402160
   .8600000000E-01
  -.002570272960   .000000000000
  -.025672941900   .000000000000
  -.071597886600   .000000000000
   .232284698000   .000000000000
   .099629837000   .000000000000
  -.210389249000   .000000000000
  -.456661036000   .000000000000
   .763084244000   .000000000000
   .385740933000   .000000000000
   .000000000000  1.000000000000
    9    2
   624.3548620
   180.0550770
   65.12213670
   12.63271750
   6.797327360
   1.461881250
   .5665386270
   .1927242460
   .6000000000E-01
   .005834563710   .000000000000
   .036976032500   .000000000000
   .081774946800   .000000000000
  -.141642728000   .000000000000
  -.158285375000   .000000000000
   .410781097000   .000000000000
   .521888556000   .000000000000
   .260035571000   .000000000000
   .000000000000  1.000000000000
    5    1
   77.47773300
   25.23147700
   9.624773300
   3.741200000
   1.339360000
   .080797666000
   .302016680000
   .473594630000
   .370167730000
   .115260110000
*
* Core AIMP: PTQR(3F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   614528.9900
   142622.4900
   46546.14800
   16756.10200
   6460.164200
   2553.014200
   1016.299400
   463.7967400
   202.9781500
   90.27860400
   59.28437100
   14.83973600
   7.827088000
   3.375910000
   1.591190000

   .038788841250
   .032241606250
   .051467514375
   .078981743750
   .109178518750
   .135463700000
   .220997006250
   .332697625000
   .188671106250
   .587048700000
   .369005500000
   .864813750000
   .607182206250
   .221872662500
   .036589523750
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5815.58230      1033.11390      247.667870      56.0145670      9.06782730
   871438.2000
   102443.2800
   21315.90700
   5940.108200
   1991.627200
   758.2629800
   257.7826300
   114.3532600
   42.61872700
   22.80235800
   9.268542300
   4.832025100
   1.843503500
   .9725620400
   .4377950000
   .009355907300   .003755111000   .001774695100   .000895177300   .000384137150
   .034914475000   .014092140000   .006748208400   .003384283200   .001447902200
   .107379840000   .046278704000   .022136846000   .011179670000   .004803423200
   .264140870000   .118592930000   .057337165000   .029191911000   .012497127000
   .423540650000   .233754420000   .118098900000   .059611956000   .025704406000
   .318895110000   .166384580000   .087327600000   .043359434000   .018498913000
   .040191685000  -.430437690000  -.362277900000  -.203394280000  -.089533160000
  -.030224724000  -.640311010000  -.664535200000  -.416696730000  -.189533330000
   .010911487000  -.123606510000   .452188580000   .483629920000   .249559690000
   .006717990800   .039452453000   .810177330000   .981164090000   .524791640000
   .000820301140  -.014592509000   .119826110000  -.610198380000  -.484930500000
  -.006967469600   .004724835300  -.022186898000  -.852787610000  -.924083070000
   .001535597900  -.003429964600   .007534435900  -.080881451000   .476359900000
   .000803153430   .002981644000  -.003307756900   .014107309000   .818009880000
   .000415852410  -.000320462630   .000946845260  -.002412049900   .169585410000
   12    3
  898.326000      207.612380      42.6043020
   18166.78900
   4230.840600
   1413.282700
   564.7602700
   251.4654300
   120.0684900
   58.62239800
   30.30984000
   15.71791300
   8.154828200
   4.189413300
   1.950000000
   .004944776400   .002593954100   .001285781100
   .028725775000   .015188324000   .007555265600
   .107530940000   .058849609000   .029479136000
   .269397460000   .154331660000   .078323225000
   .408072170000   .247326410000   .127128980000
   .299327760000   .098266329000   .035767402000
   .069843644000  -.376109280000  -.293952440000
  -.004898482400  -.550340290000  -.452188960000
  -.000208741290  -.201706220000   .112147940000
   .001588777800  -.013761110000   .652940050000
   .001552942800  -.000330634590   .401285660000
   .000139772170   .000390861110   .045887938000
   10    2
  162.599720      25.7300480
   1895.388000
   585.9826300
   235.1421600
   106.9262600
   51.99387400
   26.38440700
   13.44960400
   6.816878000
   3.393820000
   1.538590000
   .004402145400   .002289248800
   .030971665000   .016068066000
   .120881210000   .064498906000
   .290051890000   .155258710000
   .408261090000   .206417670000
   .281896680000   .017035011000
   .074536328000  -.357031820000
   .004304543300  -.487434450000
   .000092549030  -.245901400000
  -.000086652655  -.033732244000
    5    1
  6.93883880
   77.47773300
   25.23147700
   9.624773300
   3.741200000
   1.339360000
   .080797666000
   .302016680000
   .473594630000
   .370167730000
   .115260110000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PTQR(3F)-[CD]4F
End of Spectral Representation Operator

/Pt.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.16e-CG-AIMP-ave.
M.Casarrubios and L.Seijo, JCP 110(1999)784.   relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
* and M.Casarrubios and L.Seijo, Chem. Phys. Lett. 236 (1995) 510.
*
* - Exponents from CG-AIMP SCF calculation on Pt (d9s1-3D);
*   coefficients from CG-AIMP CASSCF calculation on
*   Pt (d9s1-3D,d8s2-3F,d8s2-3P)average.
*
* - Spin-orbit basis set correction method from
*   L.Seijo, J. Chem. Phys. 102 (1995) 8078.
*
* - (5o1) f orthogonality & polarization functions = splitted 4f core orbital
*
*PTQR3AVE-PDS(A3/91/81/5)-SO
 16.000000         3

   13    1
   994692.8790
   77955.26950
   10772.63920
   1988.886760
   166.3744380
   79.70106650
   31.38866000
   24.99927280
   6.009604200
   1.346101550
   .7578332530
   .1229413050
   .4530230360E-01
   .000105261000
   .000721119980
   .003707798200
   .012072632200
  -.057569767900
  -.012541352600
   .139107626000
   .051326564700
  -.395253404000
   .401775559000
   .306806124000
  -.760869536000
  -.412770256000
   10    2
   4731.025940
   1015.733350
   301.4659010
   44.19478090
   20.04553780
   12.24703760
   6.650422480
   1.366323940
   .5149973050
   .8600000000E-01
  -.002534014640   .000000000000
  -.025371862200   .000000000000
  -.070801020800   .000000000000
   .230482869000   .000000000000
   .096816342000   .000000000000
  -.205871615000   .000000000000
  -.456534493000   .000000000000
   .760464591000   .000000000000
   .389962583000   .000000000000
   .000000000000  1.000000000000
    9    2
   627.5177710
   180.6606290
   65.26877720
   12.55029950
   6.765673860
   1.448560220
   .5454785530
   .1763934520
   .6000000000E-01
   .005750666820   .000000000000
   .036438024200   .000000000000
   .080927163000   .000000000000
  -.142209503000   .000000000000
  -.153794452000   .000000000000
   .415195166000   .000000000000
   .530059368000   .000000000000
   .256277943000   .000000000000
   .000000000000  1.000000000000
    5    1
   75.05053300
   24.41317700
   9.299443300
   3.616300000
   1.290000000
   .085516336000
   .312075000000
   .475614440000
   .360565360000
   .108710380000
*
* Core AIMP: PTQR(3D)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   601813.0200
   137510.5100
   44288.56800
   15749.15600
   6000.067200
   2325.176900
   911.8755100
   413.7452200
   151.3096500
   74.07157400
   27.99180100
   13.59542600
   6.779573000
   2.935070000
   1.400887000

   .039346648125
   .033240114375
   .053426630000
   .082252493750
   .113186775000
   .142718137500
   .247070187500
   .334996606250
   .263959331250
   .793683625000
   .100119725000
   .960984750000
   .508523781250
   .179599993750
   .021891183125
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5815.34410      1032.86770      247.421990      55.7675040      8.82849690
   851988.3200
   100538.2000
   21036.81300
   5884.851400
   1978.350500
   754.7478000
   257.1049700
   114.0773000
   42.44790000
   22.70292900
   9.183255200
   4.782067300
   1.795128300
   .9306900400
   .4113600000
   .009510728000   .003818088300   .001803643000   .000910253350   .000388831020
   .035362211000   .014276557000   .006841317400   .003428034800   .001461964300
   .108262560000   .046686552000   .022317928000   .011280060000   .004823317200
   .265301460000   .119194490000   .057676210000   .029338398000   .012522590000
   .423403210000   .234077450000   .118227360000   .059721170000   .025619054000
   .316914200000   .164653220000   .086516242000   .042846961000   .018266262000
   .039426353000  -.432594090000  -.364628690000  -.204519490000  -.089823054000
  -.029936582000  -.639035820000  -.662647580000  -.416067800000  -.188219110000
   .010817458000  -.122407730000   .459229760000   .492719940000   .252451480000
   .006833883300   .039157682000   .806045270000   .973142710000   .519725290000
   .000552284900  -.014390659000   .117330340000  -.627597200000  -.500741690000
  -.006752906600   .004517691200  -.021942458000  -.840748390000  -.905378850000
   .001536521800  -.003121843500   .007256079400  -.075433187000   .527110280000
   .000807123290   .002785116400  -.003135832400   .013460661000   .786110370000
   .000371233010  -.000306705040   .000900562340  -.002358114900   .151776680000
   12    3
  898.081240      207.368010      42.3600770
   17727.49500
   4123.609900
   1365.341300
   541.1104800
   240.2134000
   114.6119300
   55.08430400
   28.05639700
   13.99025500
   7.284002000
   3.733213000
   1.680000000
   .005112374700   .002688970900   .001327166700
   .029975994000   .015826813000   .007899479800
   .113600480000   .062355911000   .031162299000
   .282443420000   .161998430000   .082525564000
   .412461280000   .250756660000   .128266440000
   .285876860000   .072452912000   .020769314000
   .059328049000  -.426629990000  -.338421210000
  -.006554742200  -.542419130000  -.428369720000
   .000850466920  -.158815170000   .232892650000
   .001507599300  -.002744895600   .664557110000
   .001354539700  -.001287525600   .317155870000
   .000049409282   .000521944230   .025940740000
   10    2
  162.356090      25.4879030
   2601.681800
   782.6859600
   303.6202400
   133.3363500
   62.78038200
   30.98739600
   15.39613000
   7.628816000
   3.723800000
   1.660000000
   .002342502300   .001222946600
   .018570729000   .009580874900
   .084335143000   .044746484000
   .240777150000   .128900290000
   .405434380000   .212797050000
   .344339550000   .093080027000
   .111452560000  -.297570850000
   .007978472700  -.513993060000
   .000288496610  -.295841440000
  -.000142208020  -.045330838000
    5    1
  6.69584560
   75.05053300
   24.41317700
   9.299443300
   3.616300000
   1.290000000
   .085516336000
   .312075000000
   .475614440000
   .360565360000
   .108710380000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PTQR(3D)-[CD]4F
End of Spectral Representation Operator

/Au.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.17e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.   relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*AUQR2S-PDS(A3/91/81/5)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
 17.000000         3

   13    1
   1027116.120
   80200.72340
   11026.76770
   2054.708880
   170.3326790
   71.80516740
   30.12612100
   9.941315850
   5.888506900
   1.526388830
   .8016316220
   .1309138110
   .4737914010E-01
  -.000098757300
  -.000672222259
  -.003438874950
  -.010881592000
   .054552882400
   .008387973500
  -.177394707000
   .037151824800
   .341538213000
  -.332686983000
  -.337450203000
   .629885728000
   .537815771000
   10    2
   4876.539170
   1047.683220
   311.1184860
   45.58713610
   21.04547300
   12.04786750
   6.894787470
   1.435852130
   .5400315330
   .8900000000E-01
  -.002571521000   .000000000000
  -.026083981900   .000000000000
  -.072644865900   .000000000000
   .238004839000   .000000000000
   .083718121200   .000000000000
  -.214596956000   .000000000000
  -.445014574000   .000000000000
   .767405993000   .000000000000
   .384200565000   .000000000000
   .000000000000  1.000000000000
    9    2
   636.3416130
   184.4833720
   67.03214420
   13.33416630
   7.290205000
   1.527022910
   .5791131870
   .1896416460
   .6210000000E-01
   .006023648120   .000000000000
   .037420701500   .000000000000
   .082017060900   .000000000000
  -.134533063000   .000000000000
  -.164005778000   .000000000000
   .418563590000   .000000000000
   .515860995000   .000000000000
   .269052886000   .000000000000
   .000000000000  1.000000000000
    5    1
   81.80855900
   26.72294100
   10.24161000
   4.009077000
   1.439978100
   .079238069000
   .299738470000
   .474982040000
   .370336640000
   .112153790000
*
* Core AIMP: AUQR(2S)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   687021.6200
   171898.2000
   59497.10800
   22430.78600
   8988.690200
   3727.372900
   1530.983800
   678.0154200
   335.1954500
   121.3772800
   70.07764100
   15.87893600
   8.635127000
   3.731313000
   1.718291000

   .034524567059
   .026545985294
   .041368126471
   .063036170588
   .089038570588
   .111513035294
   .153299764706
   .271617694118
   .244371582353
   .351019088235
   .625913529412
   .764215058824
   .611263235294
   .220835076471
   .038497330000
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5988.88080      1068.10660      256.993430      58.4364810      9.38416730
   707241.4700
   86269.25300
   18564.84300
   5318.889200
   1830.079300
   717.2311600
   258.0880800
   115.2686100
   43.56544100
   23.22562500
   9.530479900
   4.974339200
   1.900398400
   .9794010400
   .4320890000
   .011452393000   .004619258900   .002207260000   .001106533000   .000477397190
   .041378953000   .016892695000   .008203328600   .004082319700   .001760349900
   .122927080000   .053468755000   .025786291000   .012989737000   .005609136600
   .286872360000   .131494350000   .065411591000   .032662506000   .014099900000
   .423687670000   .239556290000   .120476210000   .061637218000   .026703146000
   .281901640000   .135299010000   .071044368000   .034713516000   .014954616000
   .027761253000  -.456345610000  -.388391680000  -.218909320000  -.097349881000
  -.025799947000  -.619173980000  -.644560170000  -.408282160000  -.186751740000
   .008638249100  -.113879110000   .487601640000   .524218110000   .271279370000
   .008561910200   .036200586000   .787638670000   .958569740000   .520265060000
  -.000876440590  -.013520866000   .112985260000  -.640399380000  -.520170210000
  -.006180459800   .003800099500  -.020475833000  -.836399940000  -.917501270000
   .001221959200  -.002774124700   .006684217600  -.074647323000   .546232910000
   .001089588700   .002605976600  -.002731125200   .012387296000   .786167770000
   .000322204230  -.000252048070   .000810143630  -.002183352600   .147497690000
   12    3
  926.605480      215.126220      44.4261340
   18501.78900
   4310.740600
   1440.122700
   574.5802700
   255.4554300
   121.8204900
   59.18739800
   30.49984100
   15.70691300
   8.148528200
   4.181013300
   1.905810000
   .005094610500   .002681743000   .001334194800
   .029346427000   .015554913000   .007776010300
   .109430760000   .060102225000   .030228398000
   .273311110000   .157000340000   .080084417000
   .409960810000   .249047670000   .128440640000
   .295328310000   .089740954000   .030520167000
   .065994751000  -.394347230000  -.311180240000
  -.005652970000  -.546691070000  -.447442350000
   .000080936234  -.187057690000   .151542520000
   .001694842900  -.010390092000   .665406980000
   .001514847400  -.000391835590   .371631780000
   .000107800570   .000415383160   .036015654000
   10    2
  168.703500      26.9794780
   13666.83100
   1171.641900
   372.5610600
   151.0342100
   68.57627800
   33.23928900
   16.35815100
   8.082215000
   3.948621000
   1.764406200
   .000439505330   .000229855600
   .011883397000   .006161981400
   .071735532000   .038152705000
   .230228860000   .124108420000
   .409784310000   .218031290000
   .361542780000   .110188650000
   .120441730000  -.287309590000
   .008813435600  -.518994620000
   .000322826910  -.302277240000
  -.000169043880  -.046339958000
    5    1
  7.58218560
   81.80855900
   26.72294100
   10.24161000
   4.009077000
   1.439978100
   .079238069000
   .299738470000
   .474982040000
   .370336640000
   .112153790000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AUQR(2S)-[CD]4F
End of Spectral Representation Operator

/Hg.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.18e-CG-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.   relativistic
core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*HGQR1S-PDS(A3/91/81/5)-SO
*
* - spin-orbit basis set correction from  L.Seijo, JCP 102(1995)8078.
*
 18.000000         3

   13    1
   1158115.920
   90804.28090
   12373.25630
   2178.558790
   173.0533150
   51.78996890
   32.01232400
   9.265705200
   6.327153820
   1.618800780
   .9281046360
   .1482951660
   .5335392300E-01
  -.000103954486
  -.000699405209
  -.003591765910
  -.012361491700
   .061832967700
   .015717626200
  -.199401370000
   .026733596900
   .379881377000
  -.329622523000
  -.384672465000
   .684224492000
   .494311878000
   10    2
   5093.745040
   1087.974770
   321.6751130
   47.48733010
   24.85191260
   12.57129190
   7.292597290
   1.524242020
   .5836099990
   .9300000000E-01
  -.002533975320   .000000000000
  -.026650598100   .000000000000
  -.074606926600   .000000000000
   .235341812000   .000000000000
   .077272120100   .000000000000
  -.181672620000   .000000000000
  -.476054454000   .000000000000
   .771949142000   .000000000000
   .381148773000   .000000000000
   .000000000000  1.000000000000
    9    2
   669.2133970
   192.4043360
   69.59852270
   13.78897080
   7.570314980
   1.645476280
   .6447233730
   .2217010580
   .7620000000E-01
   .006158873450   .000000000000
   .039544542600   .000000000000
   .087685901900   .000000000000
  -.144876259000   .000000000000
  -.172736200000   .000000000000
   .430257093000   .000000000000
   .515455059000   .000000000000
   .242847774000   .000000000000
   .000000000000  1.000000000000
    5    1
   87.23334200
   28.60843600
   11.03706700
   4.362664000
   1.591327000
   .076141914000
   .293331190000
   .473833450000
   .374179030000
   .112889900000
*
* Core AIMP: HGQR(1S)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   706558.6200
   177170.9000
   61433.79800
   23198.26600
   9307.589200
   3863.310900
   1589.286800
   704.2831200
   348.4778500
   126.3966800
   72.81649100
   16.50113600
   9.048337000
   3.956869000
   1.850919000

   .032735917222
   .025111677778
   .039084733333
   .059470772222
   .083935661111
   .105162222222
   .144341494444
   .255495216667
   .232280666667
   .326591094444
   .597402055556
   .724305555556
   .576470555556
   .206054644444
   .036002163889
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  6166.21540      1104.49600      267.107940      61.4697770      10.2247650
   1007379.400
   116476.3100
   23886.24100
   6569.902800
   2178.021700
   821.4326300
   278.9844100
   123.4175100
   45.99390400
   24.69567300
   10.06075400
   5.310444800
   2.066727900
   1.087499000
   .4881300000
   .009446361500   .003822052400   .001829998000   .000919903020   .000402701670
   .034652223000   .014126863000   .006857970600   .003425625700   .001496392800
   .105580220000   .045869650000   .022162988000   .011188354000   .004903535400
   .260131290000   .117651780000   .058314646000   .029229669000   .012777658000
   .422699940000   .232547480000   .116886260000   .059768181000   .026282552000
   .326156620000   .170142300000   .089160876000   .044531605000   .019424282000
   .043198363000  -.420664390000  -.355166100000  -.200940810000  -.090418775000
  -.031762025000  -.646146080000  -.669300470000  -.421893870000  -.195825970000
   .011090573000  -.128584150000   .433893020000   .471330450000   .249024530000
   .006910879000   .041558048000   .820727940000   .998592680000   .547974300000
   .001007845100  -.015587912000   .126152060000  -.588931460000  -.486150100000
  -.007739144100   .005079073500  -.024215949000  -.870442210000  -.967719490000
   .001706002400  -.003672387000   .008035368800  -.085283536000   .492769010000
   .000900279870   .003175754500  -.003394820700   .013934193000   .826393670000
   .000445083290  -.000324469750   .000970092540  -.002379897500   .166747260000
   12    3
  955.951870      223.342410      46.8260400
   21229.49800
   4922.620100
   1637.750600
   651.0262900
   288.1683600
   136.7851400
   66.36249500
   34.17927900
   17.71611700
   9.147860100
   4.692685300
   2.179000000
   .004428443500   .002334610300   .001168782300
   .025515920000   .013546564000   .006786888800
   .096634267000   .052985928000   .026775670000
   .250299570000   .143254700000   .073143426000
   .401810660000   .244037060000   .126670420000
   .322938980000   .130072970000   .055217209000
   .086495577000  -.333656250000  -.263793720000
  -.004851507100  -.566400940000  -.473101080000
  -.000283420880  -.231323530000   .054954291000
   .001469108000  -.018505622000   .653939050000
   .001851597300  -.000154445260   .430680300000
   .000150935490   .000443397310   .050591690000
   10    2
  175.465330      28.7872730
   2044.240500
   630.3698100
   252.5274100
   114.8577700
   55.97150900
   28.49478700
   14.59969400
   7.448233000
   3.736740000
   1.705150000
   .004302118300   .002268069700
   .030393238000   .016001196000
   .119277980000   .064537126000
   .287402490000   .156161020000
   .406923960000   .208993580000
   .284495410000   .021695849000
   .077197618000  -.354027410000
   .004631206800  -.490601170000
   .000033726650  -.246094200000
  -.000102087810  -.032904944000
    5    1
  8.78044680
   87.23334200
   28.60843600
   11.03706700
   4.362664000
   1.591327000
   .076141914000
   .293331190000
   .473833450000
   .374179030000
   .112889900000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HGQR(1S)-[CD]4F
End of Spectral Representation Operator

*
********************************************************************************
*       C.1.3. f-Elements                                                      *
********************************************************************************
*
*         - 3g polarization functions via maximum overlap with
*           with 4f (Ln) or 4f (An) radial functions
*
********************************************************************************
*         C.1.3.1.a. Lanthanide Elements (core [Kr,4d])                        *
********************************************************************************
*
/Ce.ECP.Diaz-Megias.14s10p9d8f3g.2s1p1d1f1g.12e-CG-AIMP.
S.Diaz-Megias, L.Seijo, CPL 299(1999)613.   Relativistic
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on CeQR(5I)
*
 12.000000         4

   14    2
   926421.1140
   81012.40610
   12742.49520
   2768.761210
   731.1733840
   93.15149530
   55.41667820
   12.84432790
   2.715136700
   1.741880580
  0.5165542230
  0.2359912480
  0.5303548910E-01
  0.2234675560E-01
  0.000090829760 -0.000025268432
  0.000638964286 -0.000177760159
  0.003358402600 -0.000934323997
  0.013574390300 -0.003777148750
  0.032103921800 -0.008938633330
 -0.106251178000  0.029712949800
 -0.096479409200  0.027022923200
  0.554300863000 -0.158636069000
 -0.808974438000  0.256194069000
 -0.317436737000  0.098273584000
  0.902913607000 -0.401110596000
  0.443800940000 -0.342651015000
  0.009648975560  0.707286767000
 -0.003815226370  0.507312847000
   10    1
   2088.551330
   469.0069200
   143.2803920
   21.24068470
   10.54213890
   5.063247520
   2.616618710
  0.6030714750
  0.2708763970
  0.1096568870
 -0.003093751582
 -0.021578398579
 -0.057380166103
  0.175180918832
  0.097198170612
 -0.208044196819
 -0.395293542301
  0.586033534459
  0.489363739671
  0.083007841125
    9    1
   279.2553700
   80.47858210
   28.49963880
   5.179047940
   2.581456700
  0.5591904800
  0.2275446760
  9.0133493000E-02
  3.5576269500E-02
  0.005425962530
  0.027598429635
  0.057393587943
 -0.109743373110
 -0.126918588246
  0.282560080498
  0.452505168674
  0.374706374199
  0.117160498842
    8    1
   104.5174060
   35.26094330
   13.86538260
   5.800021830
   2.440002480
   1.021255270
  0.4084023320
  0.1450277520
  0.005585101678
  0.035916833957
  0.129731731710
  0.287271676699
  0.384249090772
  0.334164979570
  0.202118380562
  0.073646773450
    3    1
 1.00800000D+01
 2.53000000D+00
 6.17000000D-01
 4.10088012D-01
 6.17701017D-01
 3.97316307D-01
*
* Core AIMP: CeQR(5I)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   489559.2000
   96504.44700
   27817.61000
   9087.683300
   3248.065800
   1191.758200
   438.4027600
   194.2558000
   64.59225600
   32.19630100
   5.996351100
   3.418220300
   1.760974400

  0.038110806667
  0.036907252500
  0.062152462500
  0.101033816667
  0.144574508333
  0.178774708333
  0.315459816667
  0.413204658333
  0.352808200000
  0.926018333333
  0.732385233333
  0.469286975000
  0.062616550833
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  2993.84270      487.383730      108.232170      23.2554760
   890439.9800
   109876.6600
   23933.41000
   6976.035400
   2427.049100
   950.4089500
   401.8837200
   165.3946100
   81.05913300
   40.22782000
   18.02666400
   9.365654000
   4.329701800
   2.241528300
   1.050400000
  0.002693328500  0.000971664670  0.000440954520  0.000209313870
  0.011473578000  0.004217595900  0.001943971100  0.000911725890
  0.039758536000  0.014874456000  0.006779744600  0.003225595400
  0.113673810000  0.044400370000  0.020667440000  0.009709068000
  0.255516930000  0.108815210000  0.050593398000  0.024199222000
  0.389703210000  0.203039390000  0.099377185000  0.047081312000
  0.302518290000  0.199078120000  0.099718060000  0.049225380000
  0.062126380000 -0.175407760000 -0.116366160000 -0.062573575000
 -0.014727254000 -0.593439040000 -0.541947260000 -0.292504580000
 -0.001426918200 -0.370002080000 -0.382149990000 -0.240728890000
  0.000932640370 -0.041669392000  0.643843880000  0.583144280000
  0.005564311700  0.007313055300  0.666751750000  0.856147650000
 -0.001279627600 -0.002023040600  0.088001765000 -0.488894280000
 -0.001283272100 -0.000055172390 -0.002893327600 -0.901074680000
 -0.000343519070 -0.000350570910  0.000425509850 -0.144864960000
   12    3
  436.530590      91.6198000      17.6107890
   10143.79000
   2441.182600
   834.0989600
   336.9123200
   149.4751000
   70.28496900
   33.51708300
   16.76604700
   8.559586600
   4.209785300
   2.082061200
  0.9481000000
  0.003325914800  0.001622080100  0.000762882630
  0.020882892000  0.010260917000  0.004723706700
  0.082807274000  0.041929074000  0.019758896000
  0.225358290000  0.119424140000  0.056023536000
  0.390620180000  0.222047550000  0.107650470000
  0.348799420000  0.165146590000  0.072232800000
  0.110014020000 -0.240799410000 -0.163785940000
  0.001115674300 -0.572376150000 -0.438718150000
  0.000408999780 -0.303444240000 -0.106595430000
 -0.000124737430 -0.035732657000  0.582019780000
  0.001136478500 -0.000204965340  0.532902870000
  0.000067991170  0.000086170296  0.087219859000
   10    2
  67.8212290      9.19721210
   1050.357400
   326.7336500
   132.1175500
   60.42932900
   29.24513700
   14.57861500
   7.270210700
   3.511282000
   1.649330000
  0.7040700000
  0.003240571500  0.001485698900
  0.023497608000  0.010860592000
  0.093127076000  0.043736989000
  0.235374050000  0.112074400000
  0.380617470000  0.176196690000
  0.346953800000  0.111192510000
  0.130688670000 -0.218044130000
  0.012372521000 -0.507965170000
 -0.000126033580 -0.366646550000
 -0.000112220020 -0.073847506000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CeQR(5I)-[Kr,4d]
End of Spectral Representation Operator

/Pr.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.13e-CG-AIMP.
L.Seijo, Z.Barandiaran, E.Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on PrQR(6L)
*
 13.000000         4

   14    2
   1085963.550
   92545.94510
   14155.99160
   2990.869400
   772.8929740
   96.34782380
   57.30162530
   13.50888910
   2.804638460
   1.640733710
  0.5238610540
  0.2331874820
  0.4521562950E-01
  0.1951101150E-01
  0.000083682712 -0.000021744130
  0.000590674106 -0.000153484093
  0.003154122590 -0.000819582218
  0.013116243200 -0.003408808150
  0.031512599400 -0.008193851100
 -0.106160020000  0.027692470000
 -0.091692841300  0.024018329500
  0.535944047000 -0.142960962000
 -0.834003207000  0.244914147000
 -0.255125685000  0.069476533200
  0.871844194000 -0.337038833000
  0.461908348000 -0.336141027000
  0.011890442800  0.709643448000
 -0.002207549030  0.475584171000
   10    1
   2193.426420
   490.6885720
   149.5195770
   22.05791600
   9.933502310
   5.432287830
   2.672046390
  0.6201524500
  0.2785199320
  0.1153152710
 -0.002917121082
 -0.020719121697
 -0.055392521394
  0.174084367206
  0.107359519016
 -0.229278313569
 -0.367570294073
  0.538763512278
  0.509680970388
  0.108341033108
    9    1
   288.7972350
   83.63318630
   29.82107920
   5.411400920
   2.660530710
  0.5821917680
  0.2358343340
  9.1035452000E-02
  3.4001996200E-02
  0.005266264207
  0.023938436285
  0.049350201020
 -0.096920736864
 -0.107130975927
  0.231140593003
  0.399454102032
  0.420918138294
  0.206823763351
    8    1
   103.2603890
   34.47112460
   13.55910450
   5.795499410
   2.504113070
   1.057821100
  0.4166220180
  0.1422467140
  0.006382885088
  0.040700918404
  0.139048228064
  0.282092918957
  0.366879008939
  0.332231935894
  0.215260287117
  0.088953695835
    3    1
 1.00200000D+01
 2.46000000D+00
 5.79000000D-01
 4.27384414D-01
 6.16509211D-01
 3.93157697D-01
*
* Core AIMP: PrQR(6L)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   501991.9100
   98211.42200
   28164.64900
   9171.114000
   3272.744800
   1201.070500
   446.2915000
   199.6504100
   66.43882900
   33.60771400
   6.233808500
   3.434677900
   1.703947000

  0.035568202308
  0.034681760769
  0.058493790769
  0.094990661538
  0.134846230769
  0.166092323077
  0.294428376923
  0.375868661538
  0.329743223077
  0.847036769231
  0.703334192308
  0.418215815385
  0.045161549231
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3108.14520      508.132160      112.899240      23.7935280
   889600.0000
   110030.0000
   24130.00000
   7038.000000
   2447.000000
   958.2000000
   406.0000000
   164.9000000
   81.13000000
   40.48000000
   18.67000000
   9.710000000
   4.539000000
   2.329000000
   1.085000000
  0.002883949100  0.001044138800  0.000476019790  0.000225995770
  0.012069064000  0.004464711500  0.002062617500  0.000969016200
  0.041345970000  0.015534758000  0.007114977900  0.003385872400
  0.117490910000  0.046261714000  0.021589075000  0.010160092000
  0.261852490000  0.112270820000  0.052489359000  0.025115541000
  0.391492540000  0.206885910000  0.101621300000  0.048249964000
  0.294558210000  0.191440520000  0.096463850000  0.047642323000
  0.057143173000 -0.204798640000 -0.139410320000 -0.074711735000
 -0.016305576000 -0.597206660000 -0.556566860000 -0.302636020000
 -0.000604972310 -0.343465100000 -0.351090660000 -0.223965160000
  0.000829133840 -0.035313408000  0.664163060000  0.608174490000
  0.005882396600  0.005592467100  0.652851310000  0.841123350000
 -0.001455280600 -0.001346781300  0.084683446000 -0.506686030000
 -0.001293853100 -0.000413719880 -0.002105121300 -0.890882850000
 -0.000360728690 -0.000284568690  0.000358315110 -0.143631670000
   12    3
  454.741340      95.5363010      17.9076340
   9882.000000
   2403.000000
   823.8000000
   333.7000000
   148.8000000
   70.43000000
   33.81000000
   17.00000000
   8.701000000
   4.314000000
   2.127000000
  0.9590000000
  0.003683061200  0.001805054100  0.000846417250
  0.022686411000  0.011211363000  0.005178336500
  0.088814054000  0.045274980000  0.021319651000
  0.236150210000  0.126183800000  0.059384635000
  0.394734650000  0.226035540000  0.109563990000
  0.336213170000  0.152024880000  0.065256920000
  0.100311150000 -0.264806770000 -0.180903710000
  0.000258080770 -0.572017460000 -0.440708030000
  0.000269492650 -0.284275540000 -0.075339877000
  0.000052596208 -0.031279547000  0.592876290000
  0.001099552700 -0.000412780080  0.516439310000
  0.000078057957  0.000098293933  0.082292667000
   10    2
  70.9335150      9.20725300
   1075.000000
   338.6000000
   135.0000000
   60.23000000
   28.30000000
   13.79000000
   6.704000000
   3.225000000
   1.513000000
  0.6398000000
  0.003287671600  0.001527665200
  0.023985163000  0.011013460000
  0.098683906000  0.046641328000
  0.257714340000  0.122177020000
  0.406973070000  0.188308240000
  0.329741350000  0.076136624000
  0.098895688000 -0.291453940000
  0.005542819800 -0.509072620000
  0.000253159270 -0.307213320000
 -0.000140104560 -0.053274184000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PrQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Nd.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.14e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on NdQR(5K)
*
 14.000000         4

   14    2
   1306119.140
   108228.3200
   16053.82730
   3279.024610
   825.0207470
   95.91097140
   54.86588270
   14.21479980
   2.892480600
   1.516748810
  0.5869272350
  0.2710600330
  0.6024998340E-01
  0.2442137140E-01
 -0.000080569705 -0.000022448258
 -0.000570170505 -0.000158858812
 -0.003097758450 -0.000863148965
 -0.013371184900 -0.003725831660
 -0.032923537100 -0.009181363390
  0.130570270000  0.036593493000
  0.076811830400  0.021504524500
 -0.558285419000 -0.159822258000
  0.942874879000  0.296948898000
  0.210137089000  0.068510233300
 -0.892137928000 -0.390164888000
 -0.479225742000 -0.365753813000
 -0.012218810500  0.688582279000
  0.002925158750  0.528834931000
   10    1
   2299.880890
   513.1495780
   156.0196980
   22.97812580
   10.04121750
   5.890967910
   2.854781830
  0.6761078670
  0.3111485910
  0.1282563450
 -0.002999055999
 -0.021742425056
 -0.058456213261
  0.185438212751
  0.124231309960
 -0.247249779660
 -0.393438965143
  0.559928153860
  0.504099558692
  0.094929558428
    9    1
   305.6216420
   88.36064170
   31.48295720
   5.713262760
   2.839689070
  0.6540428800
  0.2810689830
  0.1180440910
  4.7689881500E-02
  0.005729661860
  0.030600390525
  0.063955600835
 -0.126305202959
 -0.135195571612
  0.286579137867
  0.456985976123
  0.353076588340
  0.111217648649
    8    1
   102.3637890
   34.58512500
   13.84488700
   6.058173740
   2.707131930
   1.202690190
  0.5142813200
  0.1999374560
  0.008175971738
  0.048042759418
  0.156138301683
  0.300179347353
  0.370761262225
  0.310850293949
  0.174232302615
  0.049983319076
    3    1
 1.29200000D+01
 3.36000000D+00
 8.76000000D-01
 3.87891700D-01
 6.16395495D-01
 3.99479775D-01
*
* Core AIMP: NdQR(5K)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   524718.8600
   103633.8700
   29958.28900
   9819.259100
   3506.739900
   1287.631800
   477.9723200
   212.6076300
   71.41536100
   35.55784400
   6.572270600
   3.688152200
   1.887533000

  0.032950500714
  0.031839418571
  0.053454198571
  0.086724950000
  0.124530142857
  0.152961392857
  0.267749192857
  0.355281942857
  0.295155171429
  0.800997214286
  0.654516442857
  0.384589435714
  0.044964293571
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3226.07360      530.619730      119.042960      25.6327140
   889800.0000
   109910.0000
   24090.00000
   7028.000000
   2445.000000
   960.2000000
   408.7000000
   166.0000000
   81.60000000
   40.83000000
   19.26000000
   10.04000000
   4.746000000
   2.445000000
   1.146000000
  0.003078823000  0.001119213500  0.000512273700  0.000244653640
  0.012791041000  0.004758428100  0.002203691200  0.001042410500
  0.043467667000  0.016416378000  0.007550956800  0.003614923000
  0.122515090000  0.048615594000  0.022752211000  0.010781416000
  0.269223760000  0.116448520000  0.054716288000  0.026347044000
  0.392279050000  0.210305600000  0.103742760000  0.049607953000
  0.284340170000  0.182725620000  0.092450553000  0.046000591000
  0.051580982000 -0.230963700000 -0.160079460000 -0.086246767000
 -0.016401193000 -0.599667060000 -0.569425620000 -0.313361000000
 -0.000591492250 -0.320939270000 -0.321292940000 -0.208960170000
  0.001224365700 -0.029912860000  0.684605420000  0.639266840000
  0.005916611200  0.004433717500  0.636458330000  0.829176980000
 -0.001511860800 -0.000920149550  0.081411513000 -0.528403360000
 -0.001379055800 -0.000652548340 -0.001642069100 -0.884868100000
 -0.000361217840 -0.000248776260  0.000228599350 -0.139316200000
   12    3
  474.549430      100.890270      19.4547070
   9977.000000
   2411.000000
   822.3000000
   332.6000000
   148.6000000
   70.67000000
   34.13000000
   17.31000000
   8.914000000
   4.468000000
   2.230000000
   1.023000000
  0.003898075000  0.001920434700  0.000905934790
  0.024151667000  0.011990838000  0.005591424000
  0.094263845000  0.048363732000  0.022940099000
  0.246422200000  0.132605020000  0.063021955000
  0.398749920000  0.229907830000  0.112302350000
  0.324201120000  0.138347380000  0.058171895000
  0.091590487000 -0.285871530000 -0.197659570000
 -0.000484179930 -0.566909760000 -0.442889890000
  0.000181140010 -0.269595940000 -0.051507861000
  0.000175327910 -0.028691955000  0.599549880000
  0.001097777200 -0.000467192310  0.503304350000
  0.000088398678  0.000144112270  0.080062726000
   10    2
  75.4409010      10.3710400
   1067.000000
   333.2000000
   133.6000000
   60.08000000
   28.54000000
   14.09000000
   6.955000000
   3.400000000
   1.624000000
  0.7065000000
  0.003702622600  0.001744307900
  0.026637923000  0.012418075000
  0.106211010000  0.051001140000
  0.267006710000  0.128393250000
  0.405333720000  0.189385870000
  0.316146790000  0.064875250000
  0.093375648000 -0.298316160000
  0.005521495600 -0.502691480000
  0.000179283180 -0.301200520000
 -0.000130554130 -0.052519334000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NdQR(5K)-[Kr,4d]
End of Spectral Representation Operator

/Pm.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.15e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on PmQR(6L)
*
 15.000000         4

   14    2
   1384018.650
   114067.8410
   16855.66890
   3412.509850
   855.7905130
   101.2332830
   58.90139180
   14.87346440
   3.058010190
   1.620728110
  0.6142906320
  0.2824683820
  0.6150458320E-01
  0.2486181030E-01
 -0.000082491737 -0.000022726578
 -0.000578441024 -0.000159359569
 -0.003118380470 -0.000859170406
 -0.013593313800 -0.003745250790
 -0.032764143700 -0.009034431240
  0.124611849000  0.034502274600
  0.082609600600  0.022919299700
 -0.557829203000 -0.157866032000
  0.922567162000  0.286171318000
  0.225640432000  0.073433203100
 -0.882502475000 -0.379117580000
 -0.486185899000 -0.365389539000
 -0.012495658500  0.685966071000
  0.003062507690  0.527134037000
   10    1
   2402.067050
   535.0362260
   162.5436550
   23.88646090
   10.07394340
   6.276187340
   2.990523140
  0.7068416140
  0.3244797060
  0.1336916310
 -0.002963648862
 -0.021719999982
 -0.058543782903
  0.187870806087
  0.136148235354
 -0.261356882125
 -0.390396978469
  0.553664761073
  0.506940916620
  0.098013781159
    9    1
   319.3390030
   92.42308060
   33.00546360
   5.991371300
   2.968375740
  0.6961654330
  0.3009604250
  0.1264559520
  5.0657099900E-02
  0.005709689354
  0.030631665449
  0.064194902241
 -0.127808095922
 -0.133749290141
  0.277157383341
  0.451343920766
  0.361461173938
  0.120392303029
    8    1
   113.8372700
   38.82271850
   15.74700290
   6.978499930
   3.149620980
   1.406608150
  0.6011471200
  0.2326909520
  0.007153848239
  0.043672484319
  0.143694608587
  0.286140334538
  0.367541700290
  0.321937526503
  0.188005552639
  0.056719073945
    3    1
 1.37700000D+01
 3.59000000D+00
 9.38000000D-01
 3.91033302D-01
 6.16519831D-01
 3.95190911D-01
*
* Core AIMP: PmQR(6L)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   543538.0000
   107571.5200
   31149.31800
   10223.47100
   3655.530600
   1345.090100
   500.3645500
   222.7299600
   75.27923300
   37.31761000
   6.861173000
   3.803141800
   1.924804100

  0.030853150000
  0.029755385333
  0.049906368667
  0.080877060000
  0.116041653333
  0.142452446667
  0.248404320000
  0.332485546667
  0.271569626667
  0.752398866667
  0.625129653333
  0.350323040000
  0.036469538667
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3345.91620      552.961800      124.547740      26.7610120
   891600.0000
   110040.0000
   24070.00000
   7015.000000
   2443.000000
   961.1000000
   410.6000000
   166.7000000
   81.54000000
   40.76000000
   19.74000000
   10.28000000
   4.858000000
   2.501000000
   1.169000000
  0.003279626100  0.001197407400  0.000550294750  0.000263701040
  0.013516443000  0.005055373700  0.002346109200  0.001112704300
  0.045712222000  0.017359643000  0.008020580700  0.003853549300
  0.127649410000  0.051038055000  0.023944397000  0.011375806000
  0.276609370000  0.120743760000  0.057037001000  0.027575836000
  0.393245700000  0.213835450000  0.105871060000  0.050750600000
  0.273646070000  0.173185910000  0.088041611000  0.044118779000
  0.045936699000 -0.260474360000 -0.184180240000 -0.099791469000
 -0.016467698000 -0.603859010000 -0.584999050000 -0.324344440000
 -0.000460249490 -0.293972830000 -0.282997130000 -0.188930610000
  0.001700741700 -0.023267478000  0.713089660000  0.681175990000
  0.005857671000  0.003138603600  0.614562790000  0.799308220000
 -0.001627632600 -0.000525640770  0.073760525000 -0.578173560000
 -0.001423435300 -0.000869059100 -0.001422430100 -0.856997800000
 -0.000339224210 -0.000199087340  0.000154442580 -0.125694930000
   12    3
  494.086930      105.575890      20.3042820
   9992.000000
   2413.000000
   822.5000000
   332.4000000
   148.7000000
   70.92000000
   34.35000000
   17.49000000
   9.019000000
   4.560000000
   2.284000000
   1.048000000
  0.004166039200  0.002062161800  0.000973912680
  0.025641301000  0.012792707000  0.005998790600
  0.099434604000  0.051326072000  0.024409901000
  0.256129250000  0.138798560000  0.066352726000
  0.402409530000  0.233384800000  0.114286660000
  0.313068680000  0.124423140000  0.050675951000
  0.083117745000 -0.310548940000 -0.216909080000
 -0.001271525000 -0.563588230000 -0.443133280000
  0.000137160870 -0.250206600000 -0.016836838000
  0.000318203010 -0.024532132000  0.610094330000
  0.001077087400 -0.000597365990  0.483999860000
  0.000090864971  0.000177180930  0.073821481000
   10    2
  79.2713500      10.8783740
   1061.000000
   332.4000000
   133.7000000
   60.41000000
   28.86000000
   14.33000000
   7.106000000
   3.488000000
   1.671000000
  0.7273000000
  0.004067083300  0.001928365600
  0.028797547000  0.013519123000
  0.112552600000  0.054468108000
  0.275443040000  0.133274550000
  0.406125620000  0.190061590000
  0.304924600000  0.051692323000
  0.086420261000 -0.312668500000
  0.004845891300 -0.498683240000
  0.000188737120 -0.289589840000
 -0.000112039900 -0.049207802000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PmQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Sm.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.16e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on SmQR(7K)
*
 16.000000         4

   14    2
   1599142.180
   129271.5680
   18668.69740
   3636.317400
   895.2934030
   104.3713410
   59.57355670
   15.55391640
   3.256771800
   1.927509150
  0.6223101870
  0.2869281630
  0.6317968030E-01
  0.2539293580E-01
  0.000078468538 -0.000021394763
  0.000549042952 -0.000149690005
  0.002994386020 -0.000816536437
  0.013763442900 -0.003752157890
  0.032244217200 -0.008801170510
 -0.129344709000  0.035484967100
 -0.078401204800  0.021440330500
  0.558149928000 -0.156197330000
 -0.860304594000  0.263324137000
 -0.260224136000  0.082665593700
  0.883083752000 -0.378282952000
  0.461194047000 -0.350360367000
  0.011497678900  0.681852737000
 -0.002759638720  0.529967475000
   10    1
   2506.604790
   557.3426530
   169.1713030
   24.86066200
   10.07045830
   6.835035240
   3.159109310
  0.7310470340
  0.3329859550
  0.1364967220
 -0.002922583185
 -0.021709191690
 -0.058635794896
  0.189215989423
  0.164467754806
 -0.283431205386
 -0.393269808523
  0.557200274887
  0.503840522713
  0.095702183058
    9    1
   333.2049220
   96.43204290
   34.48911910
   6.354087880
   3.182366770
  0.7081458430
  0.2986227890
  0.1234991560
  4.9358920100E-02
  0.005454363873
  0.030580603538
  0.064100275084
 -0.123510419625
 -0.134401025445
  0.292289193456
  0.459721436873
  0.351045956707
  0.108589413523
    8    1
   125.3808950
   42.55411260
   17.16012220
   7.559412220
   3.401303240
   1.519734960
  0.6510082260
  0.2523234950
  0.006532328610
  0.041683405670
  0.141459693740
  0.286789991598
  0.368348518449
  0.321879365402
  0.189110715976
  0.058187056622
    3    1
 1.47700000D+01
 3.86000000D+00
 1.00700000D+00
 3.89980786D-01
 6.16798462D-01
 3.95646197D-01
*
* Core AIMP: SmQR(7K)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   484227.2200
   99835.85200
   29767.08500
   9988.823600
   3632.636100
   1351.739000
   510.0410000
   229.3545400
   77.83521100
   38.98086900
   7.155019200
   3.932676300
   1.977685400

  0.030993365000
  0.028841450625
  0.047923701250
  0.076767318750
  0.108707831250
  0.133431381250
  0.234398493750
  0.307760125000
  0.254774831250
  0.702925625000
  0.596999881250
  0.320556131250
  0.030919862500
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3468.34220      575.857460      130.180830      27.9078350
   891200.0000
   110050.0000
   23960.00000
   6965.000000
   2424.000000
   954.9000000
   409.5000000
   166.4000000
   80.82000000
   40.09000000
   20.03000000
   10.46000000
   4.996000000
   2.568000000
   1.198000000
  0.003491865100  0.001280289000  0.000590503150  0.000283613980
  0.014309798000  0.005382006100  0.002503547400  0.001191333700
  0.048271622000  0.018432400000  0.008550198600  0.004117262700
  0.133772710000  0.053920236000  0.025365948000  0.012092569000
  0.285614170000  0.125927970000  0.059784010000  0.028978801000
  0.394118570000  0.217891450000  0.108353440000  0.052136908000
  0.260678080000  0.160895700000  0.081991108000  0.041246725000
  0.039334197000 -0.295348280000 -0.213022140000 -0.115666320000
 -0.016196652000 -0.607934160000 -0.603094640000 -0.338059700000
 -0.000373492630 -0.262771390000 -0.230929500000 -0.158226490000
  0.002345098100 -0.014572280000  0.746520270000  0.730061320000
  0.005674103400  0.001404998700  0.581266190000  0.757250480000
 -0.001720001600  0.000028128583  0.066430337000 -0.620054920000
 -0.001484407500 -0.001147087100 -0.000967081770 -0.833276450000
 -0.000320323800 -0.000140493400  0.000073385994 -0.115874550000
   12    3
  514.038270      110.354620      21.1629550
   9965.000000
   2404.000000
   820.2000000
   331.9000000
   148.7000000
   71.03000000
   34.39000000
   17.57000000
   9.066000000
   4.631000000
   2.334000000
   1.075000000
  0.004477788300  0.002227975300  0.001053224100
  0.027377173000  0.013719008000  0.006466478100
  0.104925480000  0.054508887000  0.025985928000
  0.265667600000  0.144905650000  0.069654376000
  0.405778540000  0.236731090000  0.116141210000
  0.301920210000  0.108578980000  0.041955534000
  0.074568187000 -0.338589310000 -0.239241360000
 -0.002182601500 -0.557630340000 -0.440076490000
  0.000202213590 -0.228568100000  0.023614120000
  0.000422020210 -0.020199887000  0.617735930000
  0.001065643000 -0.000740058220  0.462059470000
  0.000089891633  0.000211262610  0.068397024000
   10    2
  83.1736370      11.3888850
   1074.000000
   334.7000000
   134.3000000
   60.71000000
   29.13000000
   14.54000000
   7.239000000
   3.566000000
   1.712000000
  0.7449000000
  0.004336376300  0.002068360700
  0.030728060000  0.014516829000
  0.119156550000  0.058069055000
  0.284740340000  0.138541480000
  0.406582360000  0.190242430000
  0.293239300000  0.037268715000
  0.079502008000 -0.327177330000
  0.004198699200 -0.494151690000
  0.000193554490 -0.277469940000
 -0.000094795009 -0.045650453000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SmQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Eu.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.17e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on EuQR(10D)
*
 17.000000         4

   14    2
   1770245.740
   141778.9260
   20230.04710
   3785.473620
   920.6404300
   110.1720800
   63.02156910
   16.27498390
   3.345468640
   1.765224380
  0.6321598420
  0.2764829860
  0.5169511620E-01
  0.2201113260E-01
 -0.000073893971 -0.000019453847
 -0.000512386616 -0.000134886303
 -0.002803975690 -0.000738281197
 -0.013775173300 -0.003625808600
 -0.029950797600 -0.007892275540
  0.118958208000  0.031435693700
  0.081018816200  0.021515195000
 -0.533715238000 -0.144196760000
  0.862497927000  0.256093897000
  0.219343970000  0.058274772000
 -0.850305099000 -0.327419130000
 -0.485294521000 -0.338601824000
 -0.016336157900  0.704195354000
  0.000740107132  0.474531746000
   10    1
   2614.867080
   580.3534650
   175.9685420
   25.89625800
   10.99717910
   6.696952240
   3.214231280
  0.7445462570
  0.3333095750
  0.1375176250
 -0.002749607980
 -0.020702936635
 -0.056039226120
  0.180032218576
  0.119029594199
 -0.247828953016
 -0.355836226262
  0.513167110513
  0.519279810953
  0.123864796098
    9    1
   348.4201270
   100.9270860
   36.14728820
   6.517294550
   3.178757390
  0.7101457400
  0.2779446240
  0.1000705700
  3.4435514300E-02
  0.003870629272
  0.020864267739
  0.044012794270
 -0.088482371658
 -0.089113098370
  0.194459662319
  0.365047385078
  0.448781772586
  0.281784826110
    8    1
   133.9258010
   45.47987550
   18.37375210
   8.084554960
   3.605604230
   1.573171120
  0.6414595250
  0.2270915710
  0.006024674788
  0.039327341385
  0.134630902083
  0.276794444623
  0.362902317751
  0.331203792730
  0.211863486002
  0.081613689766
    3    1
 1.42100000D+01
 3.61000000D+00
 8.87000000D-01
 4.13926285D-01
 6.17057922D-01
 3.89928602D-01
*
* Core AIMP: EuQR(10D)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   498923.0600
   102701.2100
   30580.37100
   10246.39500
   3721.574500
   1385.857300
   525.5087500
   237.2540400
   80.53367600
   40.61614000
   7.486781200
   4.077836500
   2.007363600

  0.029339989412
  0.027347303529
  0.045469618824
  0.072836194118
  0.102757629412
  0.125800994118
  0.221458488235
  0.288006929412
  0.240985117647
  0.658992647059
  0.560123676471
  0.303824558824
  0.028939235882
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3592.72120      598.600970      135.155860      28.3199950
   891000.0000
   110090.0000
   23940.00000
   6941.000000
   2411.000000
   949.9000000
   408.7000000
   166.6000000
   80.32000000
   39.30000000
   20.23000000
   10.58000000
   5.090000000
   2.602000000
   1.205000000
  0.003719733800  0.001369911000  0.000634089760  0.000304476420
  0.015102260000  0.005711272200  0.002662565100  0.001267422800
  0.050689163000  0.019464787000  0.009064732800  0.004364198300
  0.139704900000  0.056751005000  0.026765463000  0.012765253000
  0.294435020000  0.131117380000  0.062560331000  0.030328151000
  0.394640550000  0.221622880000  0.110649130000  0.053277673000
  0.247862970000  0.147997860000  0.075524688000  0.038068761000
  0.033377714000 -0.327786170000 -0.241028100000 -0.130986450000
 -0.015810216000 -0.610169020000 -0.618151170000 -0.349132280000
 -0.000331258140 -0.234775210000 -0.176082170000 -0.123988430000
  0.003074461200 -0.005910727000  0.779247900000  0.780084060000
  0.005386972300 -0.000334540310  0.544085700000  0.700878860000
 -0.001821976700  0.000539310990  0.057692077000 -0.667634350000
 -0.001521883800 -0.001391680100 -0.000520231600 -0.799289270000
 -0.000295270790 -0.000081111458  0.000028350370 -0.104955010000
   12    3
  533.698530      114.442260      21.2994760
   10023.00000
   2416.000000
   822.8000000
   332.1000000
   148.6000000
   71.04000000
   34.53000000
   17.67000000
   9.088000000
   4.623000000
   2.311000000
   1.042000000
  0.004742266500  0.002368951100  0.001118409200
  0.028851966000  0.014530204000  0.006853479400
  0.110141920000  0.057527936000  0.027411025000
  0.275778470000  0.151483210000  0.072905881000
  0.409521330000  0.239831040000  0.117530400000
  0.289713470000  0.091880728000  0.032286210000
  0.066224631000 -0.364555620000 -0.258957520000
 -0.002453969100 -0.551350250000 -0.434904850000
  0.000051846453 -0.208568790000  0.070293951000
  0.000668482110 -0.015919691000  0.633293180000
  0.000983834500 -0.000735031560  0.431216390000
  0.000085487918  0.000195635480  0.056757134000
   10    2
  86.3742300      11.2161250
   1069.000000
   333.6000000
   133.9000000
   60.48000000
   28.98000000
   14.43000000
   7.136000000
   3.491000000
   1.658000000
  0.7014000000
  0.004745612500  0.002265290200
  0.033231810000  0.015689002000
  0.127163000000  0.062048401000
  0.297767370000  0.144633070000
  0.410799510000  0.190241630000
  0.277559400000  0.012159266000
  0.067801417000 -0.356826580000
  0.002850295800 -0.487113910000
  0.000242274230 -0.252854250000
 -0.000064004437 -0.038215143000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EuQR(10D)-[Kr,4d]
End of Spectral Representation Operator

/Gd.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.18e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on GdQR(9D)
*
 18.000000         4

   14    2
   1901009.160
   150928.0590
   21343.06110
   3962.151190
   959.6804120
   114.6014420
   65.88561370
   16.96953660
   3.553040730
   2.002352250
  0.6824981060
  0.3122899130
  0.6650573070E-01
  0.2658991320E-01
  0.000077476603 -0.000020860895
  0.000534131590 -0.000143803199
  0.002911544250 -0.000784087558
  0.014312850000 -0.003852492460
  0.030936440200 -0.008340479510
 -0.122704108000  0.033237386500
 -0.083970448800  0.022676360300
  0.553813478000 -0.152932321000
 -0.863433884000  0.259840126000
 -0.253781822000  0.080589201700
  0.864828044000 -0.359995153000
  0.482888224000 -0.357620018000
  0.012722741700  0.677552834000
 -0.003177773460  0.529095871000
   10    1
   2728.361720
   604.2818770
   182.9978040
   26.89614860
   10.60931600
   7.502968000
   3.425829210
  0.7984667740
  0.3650563420
  0.1502195600
 -0.002825846556
 -0.021647542663
 -0.058751167107
  0.190664861660
  0.180313808203
 -0.305071635135
 -0.383785304863
  0.537555609769
  0.512308546429
  0.106846687913
    9    1
   364.5565320
   105.4878900
   37.79567450
   6.931899100
   3.439225530
  0.7767006920
  0.3270123500
  0.1334808500
  5.1674130900E-02
  0.004881867310
  0.028509824075
  0.060371347251
 -0.117799450881
 -0.123135575545
  0.262667912349
  0.439997655104
  0.380057311948
  0.143570073576
    8    1
   155.0570480
   52.85551790
   21.57476660
   9.617699120
   4.383364160
   1.972736080
  0.8433109770
  0.3221391600
  0.005083784676
  0.034503676648
  0.122035717482
  0.263833601660
  0.360616898871
  0.338271842308
  0.213732491189
  0.072252532017
    3    1
 1.67400000D+01
 4.40000000D+00
 1.15200000D+00
 3.90243441D-01
 6.16542392D-01
 3.93723313D-01
*
* Core AIMP: GdQR(9D)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   513839.0200
   105622.4400
   31419.37600
   10523.93700
   3826.578600
   1430.151400
   545.1353100
   246.8562700
   84.42853800
   42.56720900
   7.813490600
   4.263483000
   2.126662700

  0.027887137778
  0.026028715000
  0.043280170556
  0.069204972222
  0.097139638889
  0.118610194444
  0.208830716667
  0.271529538889
  0.223731355556
  0.625941166667
  0.538017444444
  0.280058533333
  0.025295957778
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3721.06090      623.330850      141.823830      30.2479530
   890299.9800
   110156.6600
   23906.41000
   6913.035400
   2397.249100
   944.9089500
   407.7837200
   166.8346200
   79.98913300
   38.86782000
   20.21366400
   10.58465400
   5.103701800
   2.613428300
   1.205000000
  0.003958630200  0.001464468900  0.000679815200  0.000327920930
  0.015932597000  0.006057324300  0.002831333600  0.001354018500
  0.053230954000  0.020558700000  0.009604360100  0.004645533500
  0.145839830000  0.059697335000  0.028241118000  0.013532538000
  0.303106970000  0.136354680000  0.065326405000  0.031828933000
  0.394438210000  0.224873380000  0.112814260000  0.054581323000
  0.235122440000  0.134224160000  0.068174402000  0.034642551000
  0.027838709000 -0.359423250000 -0.268565820000 -0.146970460000
 -0.015371385000 -0.606302360000 -0.628333790000 -0.358952320000
 -0.000309317140 -0.209560810000 -0.112808620000 -0.082712091000
  0.003947715200 -0.001405612700  0.810457780000  0.841437470000
  0.004968699300 -0.000505594860  0.497474020000  0.627240510000
 -0.002005769600  0.000353965270  0.047394804000 -0.741704200000
 -0.001521381800 -0.001360200300 -0.000405552240 -0.748145280000
 -0.000247452960 -0.000065744157 -0.000057793915 -0.084001143000
   12    3
  555.175970      120.176280      22.8977080
   9953.790300
   2404.182600
   819.8989600
   331.6123200
   148.6751000
   71.10496900
   34.41708300
   17.60604700
   9.014586600
   4.638785300
   2.348061200
   1.077600000
  0.005104906300  0.002563213600  0.001214264400
  0.030768075000  0.015556164000  0.007393884100
  0.116001090000  0.060971895000  0.029191883000
  0.284917510000  0.157422720000  0.076382697000
  0.411459590000  0.242095430000  0.119047100000
  0.278745540000  0.073572325000  0.022040580000
  0.058542231000 -0.395691290000 -0.286021290000
 -0.003213871700 -0.541341230000 -0.426163810000
  0.000212167280 -0.184742400000  0.122766670000
  0.000755127270 -0.011532018000  0.638414840000
  0.000961857800 -0.000884398080  0.399767370000
  0.000077283528  0.000254026300  0.050056032000
   10    2
  91.1752400      12.4102400
   1080.357400
   335.7336500
   134.5175500
   60.72932900
   29.14513700
   14.56861500
   7.280210700
   3.601282000
   1.735330000
  0.7540700000
  0.005051513200  0.002430277500
  0.035347694000  0.016898597000
  0.134032220000  0.066076549000
  0.307711640000  0.151166130000
  0.411114330000  0.190031530000
  0.263823450000 -0.004398578900
  0.061499114000 -0.367666560000
  0.002717858100 -0.478887700000
  0.000136448540 -0.241760620000
 -0.000050966711 -0.035550570000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GdQR(9D)-[Kr,4d]
End of Spectral Representation Operator

/Tb.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.19e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on TbQR(8H)
*
 19.000000         4

   14    2
   2104999.520
   164479.4030
   22840.03120
   4174.389420
   1003.829060
   118.2856360
   67.42949160
   17.73624880
   3.682893620
   1.931798570
  0.7241695690
  0.3287406880
  0.6860639730E-01
  0.2736328230E-01
 -0.000076890585 -0.000020633200
 -0.000529872355 -0.000142175540
 -0.002901102640 -0.000778632315
 -0.014357589100 -0.003851526260
 -0.030966358200 -0.008320029180
  0.126160517000  0.034057048100
  0.081343535000  0.021883296500
 -0.553694258000 -0.152322794000
  0.890174160000  0.266711961000
  0.238205958000  0.076435783000
 -0.858523462000 -0.352300529000
 -0.501897637000 -0.365587577000
 -0.013646167600  0.677061604000
  0.003479445090  0.527406467000
   10    1
   2845.163910
   628.8683310
   190.2048950
   27.93396790
   10.59443090
   8.057991140
   3.583288760
  0.8312972800
  0.3795251430
  0.1561326240
 -0.002782958118
 -0.021660480969
 -0.058935814519
  0.192132776981
  0.230952508063
 -0.355202490216
 -0.383379818310
  0.534429234539
  0.513081223876
  0.108739925115
    9    1
   380.8341100
   110.2034080
   39.52713960
   7.221773360
   3.553768990
  0.8135148570
  0.3421811040
  0.1376660080
  5.1830209200E-02
  0.004702192119
  0.026824037258
  0.057082785174
 -0.112491314751
 -0.114727115604
  0.241099038196
  0.425008122612
  0.400341132424
  0.170525732208
    8    1
   161.4284500
   55.10137030
   22.53290920
   10.04408000
   4.559173500
   2.035184430
  0.8606231210
  0.3256773980
  0.005161426340
  0.035055329209
  0.123876459501
  0.266803428074
  0.362457003542
  0.337569070135
  0.211981486244
  0.071659159887
    3    1
 1.74500000D+01
 4.57000000D+00
 1.18600000D+00
 3.95601406D-01
 6.16349388D-01
 3.91351163D-01
*
* Core AIMP: TbQR(8H)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   530405.3200
   109102.4900
   32477.89000
   10886.37800
   3961.973100
   1483.148600
   566.8093700
   257.1010800
   88.37310400
   44.48567100
   8.167485900
   4.455660400
   2.219431200

  0.026529543158
  0.024744410526
  0.041116837368
  0.065656842105
  0.091991515789
  0.112267952632
  0.197277284211
  0.257225768421
  0.209567121053
  0.595428315789
  0.510902510526
  0.264621173684
  0.023723373158
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3851.48790      647.999910      147.918360      31.5047770
   891600.0000
   110180.0000
   24010.00000
   6982.000000
   2431.000000
   959.0000000
   413.9000000
   169.8000000
   80.86000000
   38.41000000
   20.52000000
   10.76000000
   5.240000000
   2.682000000
   1.234000000
  0.004213525300  0.001566104600  0.000729479300  0.000352534400
  0.016774998000  0.006411154100  0.003002307200  0.001439910100
  0.055233729000  0.021454818000  0.010061169000  0.004875936200
  0.149149940000  0.061470350000  0.029140045000  0.014003486000
  0.306707930000  0.138970360000  0.066878266000  0.032652279000
  0.394189390000  0.226547100000  0.113885390000  0.055280535000
  0.228720360000  0.126210630000  0.064200183000  0.032660548000
  0.024778828000 -0.377438370000 -0.286290120000 -0.157049630000
 -0.015226310000 -0.608106900000 -0.635800370000 -0.366459790000
 -0.000284138020 -0.194358410000 -0.070289318000 -0.052513691000
  0.004563371900  0.006198714200  0.826561780000  0.875460100000
  0.004747980500 -0.002462915800  0.468558310000  0.580494770000
 -0.002108597100  0.001008275000  0.042129923000 -0.770906780000
 -0.001561407200 -0.001655880000 -0.000065435415 -0.724983660000
 -0.000233949540 -0.000004944772 -0.000115548390 -0.077660457000
   12    3
  576.437950      125.299510      23.8327140
   10031.00000
   2413.000000
   821.6000000
   331.9000000
   148.7000000
   71.11000000
   34.45000000
   17.63000000
   8.989000000
   4.635000000
   2.352000000
   1.080000000
  0.005395656100  0.002720354500  0.001290321000
  0.032458711000  0.016483247000  0.007867146200
  0.121517710000  0.064218958000  0.030815487000
  0.294478950000  0.163731380000  0.079819708000
  0.413708050000  0.244046400000  0.120086420000
  0.266822610000  0.054551381000  0.011001827000
  0.051297003000 -0.422324540000 -0.309021130000
 -0.003405470200 -0.529479370000 -0.413713220000
  0.000188600090 -0.165239160000  0.172194070000
  0.000933325780 -0.008362895900  0.642917820000
  0.000894204090 -0.000903830480  0.368207200000
  0.000074140463  0.000259890990  0.042659146000
   10    2
  95.3518220      12.9734610
   1080.000000
   335.9000000
   134.5000000
   60.69000000
   29.14000000
   14.56000000
   7.274000000
   3.601000000
   1.737000000
  0.7550000000
  0.005461326600  0.002639355200
  0.037864000000  0.018211254000
  0.141987930000  0.070409528000
  0.318951520000  0.157425740000
  0.411733010000  0.188514640000
  0.249190160000 -0.027261678000
  0.053422051000 -0.387697180000
  0.002135958800 -0.469293910000
  0.000106789550 -0.222606260000
 -0.000030283175 -0.030716311000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TbQR(8H)-[Kr,4d]
End of Spectral Representation Operator

/Dy.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.20e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on DyQR(7K)
*
 20.000000         4

   14    2
   2281609.080
   176347.5860
   24200.19370
   4368.062950
   1044.894990
   122.9315030
   70.06305670
   18.50311890
   3.846843070
   1.999959300
  0.7541862220
  0.3410721720
  0.7048172130E-01
  0.2800721080E-01
 -0.000077356228 -0.000020628878
 -0.000530938187 -0.000141574948
 -0.002903438010 -0.000774401363
 -0.014463475600 -0.003855791580
 -0.030836158600 -0.008233185060
  0.126138170000  0.033837775000
  0.081495999100  0.021781617500
 -0.552941332000 -0.151117271000
  0.886952300000  0.263665175000
  0.238504577000  0.076263233100
 -0.854680425000 -0.346993881000
 -0.505067553000 -0.365139953000
 -0.013873995400  0.675409771000
  0.003566968090  0.527106415000
   10    1
   2965.149250
   654.0969110
   197.5997380
   28.99406490
   10.77795200
   8.439852530
   3.723196620
  0.8669777200
  0.3951302490
  0.1620749360
 -0.002738354565
 -0.021646322131
 -0.059038956644
  0.193190041755
  0.258536478836
 -0.386524123202
 -0.378741976731
  0.528128099615
  0.516662370847
  0.111680926697
    9    1
   397.0477940
   114.8840140
   41.24148820
   7.556650490
   3.723031180
  0.8375222650
  0.3479310120
  0.1384042220
  5.1553230200E-02
  0.004511578403
  0.026018722116
  0.055553188986
 -0.108656853055
 -0.111021946920
  0.238148526688
  0.422110464100
  0.404293681246
  0.178198593487
    8    1
   171.1992430
   58.43012510
   23.91245710
   10.67139630
   4.849432980
   2.161592380
  0.9106981350
  0.3418584770
  0.005022102079
  0.034514040970
  0.122922911586
  0.265388624433
  0.361071696731
  0.338143941121
  0.215184230879
  0.075010280402
    3    1
 1.83500000D+01
 4.80000000D+00
 1.23700000D+00
 3.97116315D-01
 6.16157552D-01
 3.91880643D-01
*
* Core AIMP: DyQR(7K)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   548174.3500
   113244.9100
   33712.40200
   11284.12600
   4106.995900
   1538.782900
   588.9604900
   267.3931500
   92.19068000
   46.41148300
   8.520937900
   4.637759500
   2.302841600

  0.025266739500
  0.023474615000
  0.039176793500
  0.062451910000
  0.087371555000
  0.106620935000
  0.187105900000
  0.244422480000
  0.197708420000
  0.566955450000
  0.487669415000
  0.249881770000
  0.021894017000
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3984.62090      673.246620      154.136390      32.7684120
   891600.0000
   110250.0000
   24130.00000
   7034.000000
   2449.000000
   965.1000000
   416.5000000
   171.8000000
   81.38000000
   37.89000000
   20.57000000
   10.78000000
   5.340000000
   2.731000000
   1.252000000
  0.004484424100  0.001674702900  0.000782529110  0.000378732930
  0.017630028000  0.006773534800  0.003178136000  0.001528575300
  0.057298902000  0.022385895000  0.010535134000  0.005113021200
  0.153388630000  0.063655547000  0.030240235000  0.014575621000
  0.312489940000  0.142767420000  0.069008490000  0.033742207000
  0.394143100000  0.228825690000  0.115327490000  0.056184756000
  0.219622830000  0.115051600000  0.058350419000  0.029663276000
  0.020802114000 -0.399377560000 -0.307634520000 -0.169108030000
 -0.014822743000 -0.605155090000 -0.639978240000 -0.372538230000
 -0.000299647300 -0.177877100000 -0.012943027000 -0.008537775100
  0.005396751100  0.012186529000  0.843697870000  0.915715040000
  0.004304525900 -0.003879988300  0.427024890000  0.512248370000
 -0.002216551600  0.001426641300  0.034438548000 -0.808205960000
 -0.001590662600 -0.001839915100  0.000577392880 -0.693258400000
 -0.000211434310  0.000037931816 -0.000221355800 -0.069389589000
   12    3
  598.108180      130.503480      24.7633000
   10125.00000
   2429.000000
   824.7000000
   332.5000000
   148.9000000
   71.25000000
   34.71000000
   17.83000000
   9.111000000
   4.712000000
   2.398000000
   1.100000000
  0.005674145700  0.002870495000  0.001363762400
  0.034076300000  0.017385704000  0.008325903400
  0.127062230000  0.067474367000  0.032453436000
  0.303769160000  0.170000700000  0.083208740000
  0.414963930000  0.244949010000  0.120601460000
  0.254951010000  0.036318185000  0.000162592480
  0.045063652000 -0.441486950000 -0.326237640000
 -0.003233546000 -0.516297440000 -0.400491500000
  0.000027588824 -0.152502380000  0.203721690000
  0.001135703700 -0.007043563200  0.641017230000
  0.000833021940 -0.000818771520  0.350974400000
  0.000083059503  0.000241994470  0.039134591000
   10    2
  99.5842000      13.5256780
   1079.000000
   336.1000000
   134.6000000
   60.69000000
   29.14000000
   14.55000000
   7.267000000
   3.600000000
   1.738000000
  0.7537000000
  0.005902211500  0.002862623800
  0.040447831000  0.019568261000
  0.149922160000  0.074721844000
  0.330018090000  0.163599020000
  0.411380690000  0.185864430000
  0.234611920000 -0.050666250000
  0.046251725000 -0.405652730000
  0.001699181600 -0.458174670000
  0.000079595109 -0.204918140000
 -0.000012847888 -0.026528770000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
DyQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Ho.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.21e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on HoQR(6L)
*
 21.000000         4

   14    2
   2474642.160
   189274.5800
   25661.84010
   4564.843430
   1085.910060
   127.9724630
   73.12411490
   19.27543260
   4.034136260
   2.165924050
  0.7763323040
  0.3509368810
  0.7225609930E-01
  0.2860874340E-01
 -0.000077609780 -0.000020540290
 -0.000530500421 -0.000140390307
 -0.002898378740 -0.000767221095
 -0.014591153400 -0.003860384160
 -0.030567411200 -0.008100094940
  0.124957251000  0.033268717000
  0.082332950500  0.021834632400
 -0.551767738000 -0.149612410000
  0.867192507000  0.255291604000
  0.245682329000  0.077642550500
 -0.850373875000 -0.342519395000
 -0.499515648000 -0.360067240000
 -0.013635157900  0.672381090000
  0.003497880170  0.528293183000
   10    1
   3087.399890
   679.7132910
   205.0941230
   30.11311790
   10.92890400
   8.988512380
   3.889002760
  0.8977839310
  0.4076240010
  0.1668874240
 -0.002693303801
 -0.021631504785
 -0.059103911578
  0.193471282565
  0.327597244205
 -0.454029698754
 -0.377497068929
  0.526871861006
  0.516441177373
  0.112374223138
    9    1
   413.4900680
   119.6164530
   42.97534510
   7.898200510
   3.894696350
  0.8669958330
  0.3576531410
  0.1412153660
  5.2174945700E-02
  0.004323628894
  0.025627367134
  0.054863141624
 -0.106639565178
 -0.109129013493
  0.236202912676
  0.420282117875
  0.406947477473
  0.182918951120
    8    1
   179.0595320
   61.11407210
   25.01472270
   11.15417120
   5.060158240
   2.252777750
  0.9474877320
  0.3542607170
  0.005028525873
  0.034748434589
  0.124217797153
  0.267736018007
  0.361496071266
  0.335984779908
  0.214377819230
  0.075827253212
    3    1
 1.92500000D+01
 5.03000000D+00
 1.28900000D+00
 3.99019867D-01
 6.16103742D-01
 3.91477776D-01
*
* Core AIMP: HoQR(6L)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   501730.4000
   106770.8500
   32494.71400
   11054.60400
   4067.776700
   1533.240300
   595.1962500
   273.4460400
   94.64058900
   48.24145300
   8.859517100
   4.790429100
   2.361466100

  0.025478743333
  0.023041450952
  0.038172097143
  0.060330823810
  0.083555295238
  0.102032238095
  0.179987061905
  0.228602757143
  0.189079600000
  0.537019190476
  0.469569019048
  0.234299661905
  0.019308248095
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4120.50610      699.090760      160.490050      34.0474260
   890900.0000
   110700.0000
   24320.00000
   7104.000000
   2478.000000
   978.2000000
   423.4000000
   175.2000000
   82.90000000
   38.20000000
   20.96000000
   10.99000000
   5.532000000
   2.831000000
   1.299000000
  0.004762638800  0.001787065700  0.000837474620  0.000405856320
  0.018446973000  0.007124786700  0.003349592800  0.001615361600
  0.059305388000  0.023303040000  0.011002910000  0.005346583000
  0.157161810000  0.065665881000  0.031263247000  0.015111444000
  0.316472060000  0.145660990000  0.070687500000  0.034606433000
  0.392457890000  0.229657150000  0.116012550000  0.056712074000
  0.213117750000  0.106259670000  0.053647568000  0.027195857000
  0.018762919000 -0.412609060000 -0.321727830000 -0.177185180000
 -0.015040889000 -0.600898660000 -0.639523230000 -0.375127710000
 -0.000043639612 -0.168944790000  0.021806194000  0.020461774000
  0.005744114100  0.015407393000  0.848348930000  0.932969110000
  0.004240101200 -0.004694155400  0.405092940000  0.477052120000
 -0.002350289200  0.001700553800  0.030643314000 -0.818558620000
 -0.001628455200 -0.001976930600  0.001077634000 -0.683897610000
 -0.000215800800  0.000055150772 -0.000298866370 -0.068177110000
   12    3
  620.198070      135.798140      25.6971970
   10211.00000
   2453.000000
   834.6000000
   337.5000000
   151.5000000
   72.59000000
   35.42000000
   18.20000000
   9.271000000
   4.797000000
   2.443000000
   1.119000000
  0.005956449900  0.003024352200  0.001439334000
  0.035447553000  0.018161484000  0.008723011100
  0.130614890000  0.069682616000  0.033588717000
  0.308005620000  0.173222780000  0.085068732000
  0.414405040000  0.244980800000  0.120716570000
  0.249077250000  0.026387621000 -0.005838666700
  0.042092649000 -0.453280090000 -0.337788410000
 -0.003308642500 -0.509567080000 -0.391988140000
  0.000029305268 -0.143898330000  0.229428830000
  0.001244092900 -0.005697638400  0.640287020000
  0.000810749480 -0.000842297510  0.334916750000
  0.000082754445  0.000247155590  0.035840082000
   10    2
  103.881270      14.0738580
   1080.000000
   336.2000000
   134.6000000
   60.66000000
   29.13000000
   14.53000000
   7.283000000
   3.621000000
   1.753000000
  0.7590000000
  0.006360234600  0.003090840900
  0.043213489000  0.021037477000
  0.158199140000  0.079166085000
  0.340790810000  0.169713280000
  0.409983280000  0.181730410000
  0.219887000000 -0.073881483000
  0.039793131000 -0.418444590000
  0.001571878600 -0.445933470000
  0.000001946516 -0.191189460000
  0.000015124511 -0.023721583000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HoQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Er.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.22e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on ErQR(5L)
*
 22.000000         4

   14    2
   2639937.040
   200139.8990
   26899.74500
   4806.835200
   1140.789220
   131.4326040
   74.59741790
   20.10169820
   4.227213080
   2.323512380
  0.7987028590
  0.3604598160
  0.7412165700E-01
  0.2920792850E-01
 -0.000079882734 -0.000020980300
 -0.000543738804 -0.000142798211
 -0.002951426210 -0.000775257454
 -0.014464194600 -0.003798033180
 -0.031210789400 -0.008205342750
  0.130135022000  0.034379330600
  0.078163798600  0.020556975900
 -0.552476262000 -0.148602621000
  0.852565971000  0.248572826000
  0.250207969000  0.078324506000
 -0.850414205000 -0.340541391000
 -0.490951734000 -0.353256608000
 -0.013259800900  0.670258564000
  0.003386634730  0.528770567000
   10    1
   3212.111480
   705.7996490
   212.7239940
   31.29590720
   11.99874810
   8.911309500
   4.039292720
  0.9277663220
  0.4185722960
  0.1705803150
 -0.002649525843
 -0.021622989819
 -0.059162231039
  0.192832998427
  0.201268455270
 -0.331161232271
 -0.370503210221
  0.528050576442
  0.515684389551
  0.111381230174
    9    1
   429.4026560
   124.2672530
   44.70458550
   8.263307660
   4.087144610
  0.8926271670
  0.3648007510
  0.1430381200
  5.2570038400E-02
  0.004173968007
  0.025381758279
  0.054377137512
 -0.104511336201
 -0.108078769496
  0.237742584385
  0.420593552585
  0.407030605840
  0.183921387889
    8    1
   187.5853450
   64.06248300
   26.27768420
   11.73489510
   5.328092520
   2.366861910
  0.9890852440
  0.3665603410
  0.005014156090
  0.034686323481
  0.124215612239
  0.267553206550
  0.360838075006
  0.336454058198
  0.215847159116
  0.077152455690
    3    1
 2.01200000D+01
 5.25000000D+00
 1.33800000D+00
 4.01619640D-01
 6.15998775D-01
 3.90462717D-01
*
* Core AIMP: ErQR(5L)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   519104.8000
   111028.7100
   33919.99300
   11540.89600
   4254.115200
   1607.110500
   621.9955500
   285.0100200
   98.78507400
   50.26283600
   9.235907200
   4.990547700
   2.455884100

  0.024353693636
  0.021896418636
  0.036302039545
  0.057389022727
  0.079333450000
  0.097146986364
  0.171326786364
  0.219270813636
  0.179245713636
  0.514148727273
  0.448820372727
  0.223358531818
  0.018316540909
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4259.19620      725.558050      166.997650      35.3549910
   891400.0000
   110870.0000
   24410.00000
   7104.000000
   2465.000000
   969.0000000
   417.5000000
   176.2000000
   83.25000000
   38.09000000
   20.86000000
   10.90000000
   5.565000000
   2.845000000
   1.292000000
  0.005060367100  0.001908646200  0.000896874490  0.000435170500
  0.019353167000  0.007510786100  0.003538337200  0.001710801600
  0.061735477000  0.024415912000  0.011563737000  0.005625138900
  0.163455240000  0.068750109000  0.032809165000  0.015904037000
  0.325703740000  0.151612910000  0.073886473000  0.036212703000
  0.393053920000  0.232687990000  0.117960620000  0.057883173000
  0.199025840000  0.089328158000  0.044199727000  0.022302496000
  0.012457704000 -0.437147550000 -0.345836730000 -0.190947940000
 -0.013467069000 -0.589795720000 -0.636311370000 -0.376977980000
 -0.000772935870 -0.152476440000  0.089504220000  0.076884389000
  0.007290041900  0.016565159000  0.856054740000  0.966661450000
  0.003210704300 -0.004683049200  0.359851820000  0.389574540000
 -0.002245471200  0.001521249000  0.022911840000 -0.859990380000
 -0.001710811300 -0.001920367000  0.001409569200 -0.639636480000
 -0.000163102740  0.000059996139 -0.000349416360 -0.056722544000
   12    3
  642.724550      141.199500      26.6464230
   10280.00000
   2460.000000
   837.9000000
   339.0000000
   152.1000000
   72.81000000
   35.69000000
   18.36000000
   9.322000000
   4.823000000
   2.454000000
   1.117000000
  0.006298226500  0.003207740000  0.001528315000
  0.037271544000  0.019184617000  0.009243959700
  0.135772000000  0.072763003000  0.035137226000
  0.315967780000  0.178786580000  0.088134263000
  0.415144570000  0.245112810000  0.120691960000
  0.238365250000  0.008254983100 -0.016788937000
  0.036586429000 -0.471286740000 -0.354841000000
 -0.003054651500 -0.496555860000 -0.375580650000
 -0.000093461298 -0.131087690000  0.266704910000
  0.001447941700 -0.004098301100  0.638378520000
  0.000731509780 -0.000824232030  0.311324070000
  0.000085613718  0.000242046150  0.030639413000
   10    2
  108.257880      14.6288300
   1082.000000
   336.4000000
   134.5000000
   60.58000000
   29.16000000
   14.58000000
   7.347000000
   3.669000000
   1.780000000
  0.7683000000
  0.006833583700  0.003327058900
  0.046118734000  0.022586815000
  0.167010300000  0.083893070000
  0.350987460000  0.175507940000
  0.405781790000  0.175896250000
  0.206138280000 -0.094412101000
  0.035025570000 -0.426343940000
  0.001464316700 -0.435244890000
 -0.000030841835 -0.181100080000
  0.000030028476 -0.021718898000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ErQR(5L)-[Kr,4d]
End of Spectral Representation Operator

/Tm.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.23e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on TmQR(4K)
*
 23.000000         4

   14    2
   2851698.900
   214137.2070
   28462.30490
   5023.543430
   1186.148630
   136.4965270
   77.44915680
   20.92882370
   4.396279500
   2.357552260
  0.8337455170
  0.3741625760
  0.7586751260E-01
  0.2981829950E-01
 -0.000080438910 -0.000020974973
 -0.000545076816 -0.000142123920
 -0.002952540060 -0.000769990846
 -0.014560064200 -0.003795792970
 -0.031011745100 -0.008094526100
  0.129730316000  0.034025666100
  0.078369556300  0.020458967200
 -0.551102895000 -0.147125413000
  0.856070622000  0.247539249000
  0.247007864000  0.076973464300
 -0.845914632000 -0.333968941000
 -0.498349060000 -0.354358066000
 -0.013546746800  0.667158387000
  0.003501780630  0.529375015000
   10    1
   3344.036370
   733.2609760
   220.7012610
   32.40766830
   11.62311790
   9.715151800
   4.198675240
  0.9667044690
  0.4370541780
  0.1787722770
 -0.002601629644
 -0.021590752913
 -0.059213800705
  0.194070637889
  0.351929115324
 -0.482008273273
 -0.369668254787
  0.519045857567
  0.518804657107
  0.117423255404
    9    1
   447.0564330
   129.3557760
   46.56167430
   8.586811770
   4.237697120
  0.9296204840
  0.3787174950
  0.1474727120
  5.3619040300E-02
  0.003998363873
  0.024940203458
  0.053663354138
 -0.103617412855
 -0.105455810877
  0.232138805470
  0.416523776618
  0.411998060946
  0.192654908230
    8    1
   211.2818290
   72.07710280
   29.63683440
   13.25387050
   6.032210420
   2.678487600
   1.114707810
  0.4075243170
  0.004202711349
  0.030330342672
  0.112542678097
  0.253702284918
  0.356430857328
  0.345274106849
  0.231574621686
  0.089080520918
    3    1
 2.10000000D+01
 5.47000000D+00
 1.38600000D+00
 4.04202534D-01
 6.16029807D-01
 3.89389139D-01
*
* Core AIMP: TmQR(4K)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   534174.5000
   114221.6600
   34882.93700
   11857.53500
   4373.032900
   1654.293400
   642.3724900
   295.0932900
   102.5411500
   52.28678900
   9.614469400
   5.185209400
   2.543782500

  0.023411353913
  0.021054557391
  0.034921611739
  0.055155521739
  0.075931082609
  0.092984943478
  0.163975556522
  0.209098056522
  0.170793426087
  0.492080086957
  0.430562621739
  0.212861300000
  0.017169866957
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4400.73540      752.663720      173.665490      36.6948740
   895700.0000
   111400.0000
   24520.00000
   7163.000000
   2490.000000
   978.5000000
   421.9000000
   179.1000000
   84.54000000
   38.02000000
   21.06000000
   11.02000000
   5.614000000
   2.864000000
   1.282000000
  0.005349112500  0.002027276000  0.000955344450  0.000464313200
  0.020299422000  0.007919141800  0.003736915100  0.001810104400
  0.064024674000  0.025473274000  0.012104986000  0.005898775000
  0.167290640000  0.070842468000  0.033868024000  0.016447698000
  0.330214970000  0.154914520000  0.075811372000  0.037228637000
  0.391709520000  0.233617350000  0.118611980000  0.058317858000
  0.191412480000  0.078248204000  0.038137241000  0.019234373000
  0.010056130000 -0.451189780000 -0.361946060000 -0.200620980000
 -0.013548455000 -0.583764270000 -0.631900930000 -0.376549310000
 -0.000415081690 -0.143373030000  0.138465960000  0.118931460000
  0.007705133100  0.020436140000  0.850745330000  0.981613520000
  0.002927421300 -0.005854465300  0.333247950000  0.323748150000
 -0.002409785900  0.001833725800  0.019237932000 -0.890057400000
 -0.001675218100 -0.002053982900  0.001243247300 -0.600147880000
 -0.000139406100  0.000100976930 -0.000326156050 -0.047029309000
   12    3
  665.693720      146.711560      27.6141070
   10441.00000
   2493.000000
   847.5000000
   342.8000000
   153.9000000
   73.66000000
   36.13000000
   18.59000000
   9.430000000
   4.869000000
   2.473000000
   1.118000000
  0.006543749200  0.003344773500  0.001596515600
  0.038635665000  0.019963552000  0.009642485000
  0.140003900000  0.075368114000  0.036474226000
  0.321807810000  0.182978180000  0.090462873000
  0.414768890000  0.244843760000  0.120594290000
  0.230791420000 -0.006177357600 -0.025864681000
  0.032818959000 -0.486533230000 -0.369379310000
 -0.003030876500 -0.484465550000 -0.360496600000
 -0.000081562039 -0.120664800000  0.298179300000
  0.001571008000 -0.003232207000  0.635753170000
  0.000687271100 -0.000717427450  0.291251570000
  0.000083382608  0.000218880020  0.026545693000
   10    2
  112.716990      15.1934170
   1079.000000
   335.4000000
   134.4000000
   60.70000000
   29.29000000
   14.64000000
   7.390000000
   3.704000000
   1.803000000
  0.7770000000
  0.007400847400  0.003611963400
  0.049344652000  0.024297974000
  0.175163100000  0.088332066000
  0.359082980000  0.180169950000
  0.401850470000  0.170094550000
  0.194167210000 -0.115060490000
  0.030565928000 -0.434939440000
  0.001377364300 -0.423033170000
 -0.000072083899 -0.170465460000
  0.000046321181 -0.019857085000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TmQR(4K)-[Kr,4d]
End of Spectral Representation Operator

/Yb.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.24e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on YbQR(3H)
*
 24.000000         4

   14    2
   3094284.120
   230102.5630
   30211.51010
   5228.090430
   1227.280470
   142.0849080
   80.58743630
   21.76471650
   4.559882370
   2.360511060
  0.8639336980
  0.3859936740
  0.7776342410E-01
  0.3047582640E-01
 -0.000080149619 -0.000020820102
 -0.000540703602 -0.000140447623
 -0.002928528510 -0.000760827072
 -0.014738330900 -0.003827586810
 -0.030368172600 -0.007896457930
  0.127816990000  0.033393354700
  0.079389293000  0.020647598000
 -0.548441837000 -0.145832953000
  0.862389059000  0.248335083000
  0.239964594000  0.074670690800
 -0.848948400000 -0.332941618000
 -0.498314969000 -0.352368345000
 -0.013484106400  0.667183242000
  0.003488490700  0.527942601000
   10    1
   3479.119380
   761.2320600
   228.8078700
   33.58609500
   11.56082260
   10.45096680
   4.370461330
  0.9989086580
  0.4499436440
  0.1835794260
  0.002550127299
  0.021572298174
  0.059276666605
 -0.194492626599
 -0.652553351668
  0.782050718884
  0.368060348739
 -0.518454224979
 -0.518609820361
 -0.117562990444
    9    1
   464.3704640
   134.3423780
   48.39683970
   8.949580090
   4.413951400
  0.9570198210
  0.3863660450
  0.1486114840
  5.3221615200E-02
  0.003853017749
  0.024096086205
  0.051936335145
 -0.099681324781
 -0.101773998420
  0.225915928560
  0.410852281779
  0.418375753028
  0.204751386959
    8    1
   216.9355430
   74.05562530
   30.46866590
   13.63473620
   6.203789460
   2.751927710
   1.143219360
  0.4168989910
  0.004345309248
  0.031313058301
  0.115617685648
  0.257587695294
  0.357299885983
  0.342425649018
  0.228393753598
  0.087964518487
    3    1
 2.20000000D+01
 5.73000000D+00
 1.44500000D+00
 4.04728839D-01
 6.15938336D-01
 3.90012427D-01
*
* Core AIMP: YbQR(3H)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   550098.8400
   117687.7800
   35959.62400
   12229.81800
   4512.287800
   1708.002700
   664.4871800
   305.7295200
   106.5153300
   54.37464400
   10.01328800
   5.401154500
   2.646868700

  0.022530161250
  0.020252053750
  0.033569301250
  0.052949116667
  0.072780512500
  0.089161433333
  0.157146200000
  0.200029604167
  0.162813204167
  0.472176166667
  0.412292629167
  0.204400704167
  0.016565593333
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4545.16100      780.414130      180.489800      38.0631000
   906400.0000
   113140.0000
   24920.00000
   7249.000000
   2515.000000
   987.7000000
   425.4000000
   182.4000000
   86.19000000
   38.47000000
   21.27000000
   11.04000000
   5.722000000
   2.924000000
   1.307000000
  0.005620689300  0.002140756600  0.001011258000  0.000492036510
  0.021005080000  0.008234794600  0.003893666700  0.001890208600
  0.065927702000  0.026386671000  0.012573020000  0.006132870400
  0.171643880000  0.073140442000  0.035044640000  0.017060501000
  0.334938680000  0.158409240000  0.077787811000  0.038236490000
  0.390363670000  0.234249650000  0.119209060000  0.058794755000
  0.183927360000  0.067219264000  0.031745420000  0.015818284000
  0.007294571000 -0.462623410000 -0.375150540000 -0.208360410000
 -0.013272610000 -0.576470040000 -0.626854190000 -0.376146140000
 -0.000388569660 -0.136129430000  0.180353040000  0.158466250000
  0.008397768500  0.021889876000  0.851897280000  0.996467200000
  0.002477029600 -0.006479788300  0.305163670000  0.263861320000
 -0.002468800900  0.002090011000  0.013894684000 -0.905419970000
 -0.001700035300 -0.002165276800  0.001761201200 -0.574466170000
 -0.000125444500  0.000124789170 -0.000402550540 -0.043193191000
   12    3
  689.102530      152.328140      28.5961080
   10457.00000
   2491.000000
   846.7000000
   342.2000000
   153.6000000
   73.50000000
   36.34000000
   18.77000000
   9.511000000
   4.908000000
   2.491000000
   1.120000000
  0.006951896000  0.003562914300  0.001703279400
  0.040780108000  0.021171755000  0.010250827000
  0.146452980000  0.079184646000  0.038399017000
  0.331320810000  0.189626060000  0.094045934000
  0.413941560000  0.243164130000  0.119583770000
  0.218161340000 -0.027909264000 -0.039466551000
  0.027455497000 -0.500745660000 -0.383660670000
 -0.002631987800 -0.468717710000 -0.340411170000
 -0.000212423620 -0.110554080000  0.329736860000
  0.001761567000 -0.002179672800  0.630136660000
  0.000612098060 -0.000717651980  0.271562570000
  0.000088410483  0.000218013120  0.023099771000
   10    2
  117.251530      15.7639240
   1079.000000
   335.4000000
   134.4000000
   60.75000000
   29.40000000
   14.72000000
   7.442000000
   3.734000000
   1.816000000
  0.7775000000
  0.007950611800  0.003888825200
  0.052515028000  0.025990241000
  0.183812160000  0.093020395000
  0.367431700000  0.184886550000
  0.396165260000  0.162938800000
  0.182482170000 -0.134635130000
  0.026951141000 -0.442514470000
  0.001239159100 -0.412436260000
 -0.000078382927 -0.159722860000
  0.000052139818 -0.017634644000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YbQR(3H)-[Kr,4d]
End of Spectral Representation Operator

/Lu.ECP.Seijo.14s10p9d8f3g.2s1p1d1f1g.25e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on LuQR(2D)
*
 25.000000         4

   14    2
   3354445.510
   246653.3820
   31974.99940
   5529.100700
   1291.882350
   144.9151520
   80.54837370
   22.67860910
   4.769549340
   2.553302470
  0.8990482590
  0.4016909380
  0.8082079810E-01
  0.3158420800E-01
 -0.000081536773 -0.000021185172
 -0.000548716610 -0.000142563245
 -0.002962736340 -0.000769864136
 -0.014598945300 -0.003792534730
 -0.030990445600 -0.008058699230
  0.135941687000  0.035526020400
  0.072749752500  0.018895842000
 -0.549625273000 -0.146098922000
  0.845093126000  0.242699389000
  0.250168834000  0.078159880600
 -0.834827793000 -0.326541747000
 -0.505917185000 -0.357414608000
 -0.014204526700  0.665241177000
  0.003676205400  0.530416371000
   10    1
   3613.033290
   788.8430420
   236.8310570
   34.97328680
   13.46187700
   10.23599180
   4.583841600
   1.024134470
  0.4593024420
  0.1868669280
 -0.002508745819
 -0.021588900407
 -0.059339897909
  0.191744546531
  0.212832015119
 -0.334419636981
 -0.369267618426
  0.523032152968
  0.514626455840
  0.114926177270
    9    1
   482.2058460
   139.5112040
   50.30167410
   9.313973630
   4.591989340
  0.9697113050
  0.3831122390
  0.1438293120
  5.0249916600E-02
  0.003662783419
  0.022385790874
  0.048368851410
 -0.092205745066
 -0.094419410031
  0.216698560867
  0.402069820536
  0.428079463120
  0.225158720818
    8    1
   226.9636970
   77.48624590
   31.90399690
   14.28171460
   6.496450530
   2.877971000
   1.192992910
  0.4337076390
  0.004322373769
  0.031187683250
  0.115634556054
  0.257949815999
  0.357474004092
  0.342174661986
  0.228575938510
  0.088664226458
    3    1
 2.28700000D+01
 5.95000000D+00
 1.49700000D+00
 4.07947825D-01
 6.15755802D-01
 3.87663253D-01
*
* Core AIMP: LuQR(2D)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   560372.7500
   119015.6700
   36180.80600
   12283.55000
   4547.582000
   1726.010100
   676.4071300
   313.6636800
   109.6756700
   56.41579000
   10.40105500
   5.592071200
   2.728736100

  0.021876792800
  0.019802614400
  0.032855119200
  0.051516040000
  0.070008076000
  0.086082316000
  0.151954832000
  0.189504312000
  0.156450388000
  0.451984520000
  0.397392624000
  0.195152316000
  0.015420035600
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4692.52030      808.825200      187.476530      39.4637900
   905800.0000
   112930.0000
   24850.00000
   7227.000000
   2507.000000
   983.1000000
   421.1000000
   184.0000000
   87.06000000
   38.77000000
   21.31000000
   10.97000000
   5.750000000
   2.937000000
   1.294000000
  0.005968632300  0.002285638500  0.001082390800  0.000527174370
  0.022132528000  0.008717649700  0.004129381200  0.002008825200
  0.068923799000  0.027780260000  0.013275951000  0.006481447300
  0.177773220000  0.076256434000  0.036613448000  0.017865678000
  0.341972140000  0.163551850000  0.080641552000  0.039675947000
  0.388908510000  0.235042830000  0.119879880000  0.059315526000
  0.172269540000  0.050431535000  0.021925996000  0.010593230000
  0.002551667800 -0.480060950000 -0.394757280000 -0.219803630000
 -0.012263862000 -0.563785170000 -0.617296890000 -0.373510860000
 -0.000575959950 -0.124150500000  0.237626710000  0.212092740000
  0.009386547700  0.020968820000  0.846014160000  1.007597300000
  0.001684328100 -0.006010828900  0.272455240000  0.182008070000
 -0.002423337700  0.001751052400  0.008727171000 -0.925933130000
 -0.001721599200 -0.002038692300  0.002007246400 -0.533380500000
 -0.000090406728  0.000114019110 -0.000432704050 -0.035606811000
   12    3
  712.956950      158.052660      29.5960450
   10544.00000
   2506.000000
   850.9000000
   344.4000000
   154.9000000
   74.16000000
   36.74000000
   18.98000000
   9.620000000
   4.961000000
   2.516000000
   1.124000000
  0.007292542500  0.003749211100  0.001795084900
  0.042657333000  0.022237124000  0.010789130000
  0.151766820000  0.082418828000  0.040043015000
  0.337448710000  0.194137560000  0.096540576000
  0.412063760000  0.241276990000  0.118520810000
  0.209754680000 -0.044238337000 -0.049949593000
  0.023982329000 -0.514010680000 -0.396918030000
 -0.002531370300 -0.455026940000 -0.321817480000
 -0.000185271670 -0.101160040000  0.357714190000
  0.001864463300 -0.001759627500  0.623190600000
  0.000573857690 -0.000578113880  0.254995320000
  0.000087368463  0.000186582650  0.020339956000
   10    2
  121.863870      16.3439050
   1080.000000
   335.4000000
   134.5000000
   60.82000000
   29.45000000
   14.72000000
   7.435000000
   3.739000000
   1.830000000
  0.7886000000
  0.008528807700  0.004179960900
  0.055794033000  0.027743557000
  0.192289000000  0.097617294000
  0.376014200000  0.189653330000
  0.391076910000  0.155048990000
  0.170345400000 -0.157524120000
  0.023007279000 -0.451092070000
  0.001127887300 -0.397120600000
 -0.000101596250 -0.147997200000
  0.000061458290 -0.016220507000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LuQR(2D)-[Kr,4d]
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.3.1.b. Lanthanide Elements (core [Kr])                           *
********************************************************************************
*
/Ce.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.22e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* CeQR5I CeQR5I-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: CeQR5I-[Kr]
* mv+dw from CeQR(5I)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  CeQR5I CeQR5I-[Kr] (14s10p10d8f)
*            0.7*Bk(3d) rather than so-correct the basis set
*
 22.000000         4

   14    2
   926421.1140
   81012.40610
   12742.49520
   2768.761210
   731.1733840
   93.15149530
   55.41667820
   12.84432790
   2.715136700
   1.741880580
  0.5165542230
  0.2359912480
  0.5303548910E-01
  0.2234675560E-01
  0.000090722080 -0.000025223483
  0.000638220624 -0.000177447855
  0.003354636780 -0.000932721475
  0.013559673400 -0.003770815630
  0.032068164900 -0.008923352550
 -0.106081986000  0.029647455900
 -0.096484098800  0.027009307400
  0.553878082000 -0.158423537000
 -0.807713701000  0.255689770000
 -0.318410535000  0.098437414200
  0.902620530000 -0.400465300000
  0.444190333000 -0.342796241000
  0.009717842320  0.705330430000
 -0.003849022810  0.509092969000
   10    1
   2088.551330
   469.0069200
   143.2803920
   21.24068470
   10.54213890
   5.063247520
   2.616618710
  0.6030714750
  0.2708763970
  0.1096568870
 -0.003312902540
 -0.021549136200
 -0.057306043400
  0.174916061000
  0.097223554800
 -0.207765138000
 -0.395265454000
  0.585576256000
  0.489718059000
  0.083125626600
   10    2
   567.9452880
   166.4431500
   61.47660960
   24.93685770
   4.988512550
   2.315575680
   1.056975830
  0.4326520420
  0.1602255890
  0.5544776510E-01
 -0.005328258240  0.001266223380
 -0.039183834500  0.009031594840
 -0.138198825000  0.033182373600
 -0.223332998000  0.049680564800
  0.433129947000 -0.127907379000
  0.489689525000 -0.129316176000
  0.178754331000  0.060777626300
  0.014160563200  0.380575658000
 -0.000044323895  0.503369056000
 -0.000030857323  0.291446291000
    8    1
   104.5174060
   35.26094330
   13.86538260
   5.800021830
   2.440002480
   1.021255270
  0.4084023320
  0.1450277520
  0.005378746900
  0.035849916500
  0.129538002000
  0.287015883000
  0.384146581000
  0.334264501000
  0.202498843000
  0.074023909200
    3    1
 1.00800000D+01
 2.53000000D+00
 6.17000000D-01
 4.10088012D-01
 6.17701017D-01
 3.97316307D-01
*
* Core AIMP: CeQR5I CeQR5I-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   517287.8400
   103725.1800
   29985.38000
   9820.754300
   3526.386800
   1319.005500
   491.9018600
   218.9708100
   86.29395500
   37.15277700
   22.39820100
   5.909448200
   3.113624700

  0.019092771818
  0.018413311364
  0.031004292727
  0.050429190909
  0.072464645455
  0.086733245455
  0.143304731818
  0.217050486364
  0.107089150000
  0.426538304545
  0.143285263636
  0.259885750000
  0.061072490909
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  2993.84270      487.383730      108.232170      23.2554760
   890439.9800
   109876.6600
   23933.41000
   6976.035400
   2427.049100
   950.4089500
   401.8837200
   165.3946100
   81.05913300
   40.22782000
   18.02666400
   9.365654000
   4.329701800
   2.241528300
   1.050400000
  0.002693328500  0.000971664670  0.000440954520  0.000209313870
  0.011473578000  0.004217595900  0.001943971100  0.000911725890
  0.039758536000  0.014874456000  0.006779744600  0.003225595400
  0.113673810000  0.044400370000  0.020667440000  0.009709068000
  0.255516930000  0.108815210000  0.050593398000  0.024199222000
  0.389703210000  0.203039390000  0.099377185000  0.047081312000
  0.302518290000  0.199078120000  0.099718060000  0.049225380000
  0.062126380000 -0.175407760000 -0.116366160000 -0.062573575000
 -0.014727254000 -0.593439040000 -0.541947260000 -0.292504580000
 -0.001426918200 -0.370002080000 -0.382149990000 -0.240728890000
  0.000932640370 -0.041669392000  0.643843880000  0.583144280000
  0.005564311700  0.007313055300  0.666751750000  0.856147650000
 -0.001279627600 -0.002023040600  0.088001765000 -0.488894280000
 -0.001283272100 -0.000055172390 -0.002893327600 -0.901074680000
 -0.000343519070 -0.000350570910  0.000425509850 -0.144864960000
   12    3
  436.530590      91.6198000      17.6107890
   10143.79000
   2441.182600
   834.0989600
   336.9123200
   149.4751000
   70.28496900
   33.51708300
   16.76604700
   8.559586600
   4.209785300
   2.082061200
  0.9481000000
  0.003325914800  0.001622080100  0.000762882630
  0.020882892000  0.010260917000  0.004723706700
  0.082807274000  0.041929074000  0.019758896000
  0.225358290000  0.119424140000  0.056023536000
  0.390620180000  0.222047550000  0.107650470000
  0.348799420000  0.165146590000  0.072232800000
  0.110014020000 -0.240799410000 -0.163785940000
  0.001115674300 -0.572376150000 -0.438718150000
  0.000408999780 -0.303444240000 -0.106595430000
 -0.000124737430 -0.035732657000  0.582019780000
  0.001136478500 -0.000204965340  0.532902870000
  0.000067991170  0.000086170296  0.087219859000
   10    1
  47.4748600
   1050.357400
   326.7336500
   132.1175500
   60.42932900
   29.24513700
   14.57861500
   7.270210700
   3.511282000
   1.649330000
  0.7040700000
  0.003240571500
  0.023497608000
  0.093127076000
  0.235374050000
  0.380617470000
  0.346953800000
  0.130688670000
  0.012372521000
 -0.000126033580
 -0.000112220020
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CeQR(5I)-[Kr,4d]
End of Spectral Representation Operator

/Pr.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.23e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* PrQR6L PrQR6L-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: PrQR6L-[Kr]
* mv+dw from PrQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  PrQR6L PrQR6L-[Kr]      (14s10p10d8f)
*            0.61*Bk(3d) rather than so-correct the basis set
*
 23.000000         4

   14    2
   1085963.550
   92545.94510
   14155.99160
   2990.869400
   772.8929740
   96.34782380
   57.30162530
   13.50888910
   2.804638460
   1.640733710
  0.5238610540
  0.2331874820
  0.4521562950E-01
  0.1951101150E-01
  0.000083569371 -0.000021701368
  0.000589880127 -0.000153183870
  0.003150043560 -0.000818020175
  0.013099951800 -0.003402489950
  0.031472019400 -0.008178263190
 -0.105955525000  0.027621657000
 -0.091727720200  0.024013780500
  0.535531858000 -0.142766824000
 -0.832903500000  0.244482986000
 -0.256026910000  0.069626871900
  0.871772307000 -0.336593991000
  0.462143009000 -0.336139780000
  0.011961871000  0.707702482000
 -0.002243147920  0.477368881000
   10    1
   2193.426420
   490.6885720
   149.5195770
   22.05791600
   9.933502310
   5.432287830
   2.672046390
  0.6201524500
  0.2787984520
  0.1153152710
 -0.003165973930
 -0.020686560300
 -0.055310177000
  0.173780626000
  0.107461136000
 -0.229107080000
 -0.367454362000
  0.537986239000
  0.509952303000
  0.108853213000
   10    2
   590.1705370
   173.2204000
   64.17025630
   26.14447460
   5.272869460
   2.447366000
   1.109731250
  0.4227504270
  0.1451198410
  0.4683073850E-01
 -0.005383235580  0.001123036680
 -0.039440526400  0.007987920800
 -0.138542192000  0.029189568600
 -0.223184167000  0.043700573700
  0.427979829000 -0.109052462000
  0.487813481000 -0.114160791000
  0.187858965000  0.054023902000
  0.016125998400  0.351492767000
 -0.000665766320  0.503574241000
  0.000101033633  0.352726063000
    8    1
   103.2603890
   34.47112460
   13.55910450
   5.795499410
   2.504113070
   1.057821100
  0.4166220180
  0.1422467140
  0.006133281050
  0.040611608000
  0.138819412000
  0.281844796000
  0.366819370000
  0.332328796000
  0.215584280000
  0.089372014600
    3    1
 1.00200000D+01
 2.46000000D+00
 5.79000000D-01
 4.27384414D-01
 6.16509211D-01
 3.93157697D-01
*
* Core AIMP: PrQR6L PrQR6L-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   542493.8400
   110325.3800
   32269.08000
   10670.29400
   3856.166900
   1452.784500
   540.8748600
   237.5208100
   97.09165500
   39.92297700
   24.24139100
   6.203448200
   3.240423700

  0.018164686522
  0.017270075217
  0.028922533043
  0.046875656522
  0.067904234783
  0.081624691304
  0.131698630435
  0.210431565217
  0.100803100000
  0.396198639130
  0.158041130435
  0.248235873913
  0.059046578261
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3108.14520      508.132160      112.899240      23.7935280
   889600.0000
   110030.0000
   24130.00000
   7038.000000
   2447.000000
   958.2000000
   406.0000000
   164.9000000
   81.13000000
   40.48000000
   18.67000000
   9.710000000
   4.539000000
   2.329000000
   1.085000000
  0.002883949100  0.001044138800  0.000476019790  0.000225995770
  0.012069064000  0.004464711500  0.002062617500  0.000969016200
  0.041345970000  0.015534758000  0.007114977900  0.003385872400
  0.117490910000  0.046261714000  0.021589075000  0.010160092000
  0.261852490000  0.112270820000  0.052489359000  0.025115541000
  0.391492540000  0.206885910000  0.101621300000  0.048249964000
  0.294558210000  0.191440520000  0.096463850000  0.047642323000
  0.057143173000 -0.204798640000 -0.139410320000 -0.074711735000
 -0.016305576000 -0.597206660000 -0.556566860000 -0.302636020000
 -0.000604972310 -0.343465100000 -0.351090660000 -0.223965160000
  0.000829133840 -0.035313408000  0.664163060000  0.608174490000
  0.005882396600  0.005592467100  0.652851310000  0.841123350000
 -0.001455280600 -0.001346781300  0.084683446000 -0.506686030000
 -0.001293853100 -0.000413719880 -0.002105121300 -0.890882850000
 -0.000360728690 -0.000284568690  0.000358315110 -0.143631670000
   12    3
  454.741340      95.5363010      17.9076340
   9882.000000
   2403.000000
   823.8000000
   333.7000000
   148.8000000
   70.43000000
   33.81000000
   17.00000000
   8.701000000
   4.314000000
   2.127000000
  0.9590000000
  0.003683061200  0.001805054100  0.000846417250
  0.022686411000  0.011211363000  0.005178336500
  0.088814054000  0.045274980000  0.021319651000
  0.236150210000  0.126183800000  0.059384635000
  0.394734650000  0.226035540000  0.109563990000
  0.336213170000  0.152024880000  0.065256920000
  0.100311150000 -0.264806770000 -0.180903710000
  0.000258080770 -0.572017460000 -0.440708030000
  0.000269492650 -0.284275540000 -0.075339877000
  0.000052596208 -0.031279547000  0.592876290000
  0.001099552700 -0.000412780080  0.516439310000
  0.000078057957  0.000098293933  0.082292667000
   10    1
  43.2700000
   1075.000000
   338.6000000
   135.0000000
   60.23000000
   28.30000000
   13.79000000
   6.704000000
   3.225000000
   1.513000000
  0.6398000000
  0.003287671600
  0.023985163000
  0.098683906000
  0.257714340000
  0.406973070000
  0.329741350000
  0.098895688000
  0.005542819800
  0.000253159270
 -0.000140104560
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PrQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Nd.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.24e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* NdQR5K NdQR5K-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: NdQR5K-[Kr]
* mv+dw from NdQR(5K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  NdQR5K NdQR5K-[Kr]      (14s10p10d8f)
*            0.75*Bk(3d) rather than so-correct the basis set
*
 24.000000         4

   14    2
   1295926.840
   107522.7500
   15976.41080
   3269.162520
   823.6988850
   96.23478060
   55.25528050
   14.21114290
   2.892424730
   1.499150590
  0.5902681250
  0.2723692070
  0.6018589310E-01
  0.2440662630E-01
 -0.000080962142 -0.000022560340
 -0.000572583603 -0.000159550567
 -0.003105882720 -0.000865517790
 -0.013378711200 -0.003728384610
 -0.032869949400 -0.009167540440
  0.128854059000  0.036116610500
  0.078243555300  0.021909170700
 -0.557785870000 -0.159701326000
  0.943058697000  0.297034458000
  0.214037448000  0.069895524800
 -0.889738903000 -0.387876474000
 -0.485840437000 -0.369102736000
 -0.012583594500  0.688332603000
  0.003051468990  0.528588803000
   10    1
   2300.384590
   513.2511370
   156.0591280
   22.93077220
   9.739181320
   5.996493960
   2.855910680
  0.6778664620
  0.3127703430
  0.1292446940
 -0.003311232210
 -0.021703265400
 -0.058364148200
  0.186468697000
  0.135884253000
 -0.257994520000
 -0.395601206000
  0.556145330000
  0.506046047000
  0.097039952100
   10    2
   616.5527580
   181.0009240
   67.13217050
   27.42227960
   5.585425150
   2.622624820
   1.218122840
  0.5154184250
  0.1991673270
  0.7064413810E-01
 -0.005429792710  0.001409906470
 -0.039804479100  0.010014513000
 -0.140083470000  0.036779773700
 -0.225559063000  0.054678030800
  0.428595066000 -0.140616597000
  0.483487852000 -0.137802605000
  0.186580598000  0.053256625800
  0.017761868000  0.393135889000
 -0.000015083620  0.509527550000
  0.000070652899  0.259843494000
    8    1
   104.0074230
   35.27970540
   14.18621780
   6.234970400
   2.799058660
   1.248923940
  0.5338035680
  0.2068849380
  0.007344185410
  0.046258041500
  0.150883583000
  0.293937574000
  0.368680746000
  0.316009751000
  0.181027105000
  0.052188801200
    3    1
 1.29200000D+01
 3.36000000D+00
 8.76000000D-01
 3.87891700D-01
 6.16395495D-01
 3.99479775D-01
*
* Core AIMP: NdQR5K NdQR5K-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   556932.8400
   112409.5800
   32668.48000
   10755.08400
   3880.876900
   1459.018500
   544.4468600
   240.5118100
   94.25895500
   40.28117700
   24.07350100
   6.506588200
   3.418858700

  0.017583500417
  0.016849714583
  0.028293632917
  0.045809025000
  0.065851187500
  0.078969312500
  0.129826950000
  0.201404241667
  0.099813362500
  0.402442225000
  0.119037925000
  0.239312512500
  0.054806412500
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3226.07360      530.619730      119.042960      25.6327140
   889800.0000
   109910.0000
   24090.00000
   7028.000000
   2445.000000
   960.2000000
   408.7000000
   166.0000000
   81.60000000
   40.83000000
   19.26000000
   10.04000000
   4.746000000
   2.445000000
   1.146000000
  0.003078823000  0.001119213500  0.000512273700  0.000244653640
  0.012791041000  0.004758428100  0.002203691200  0.001042410500
  0.043467667000  0.016416378000  0.007550956800  0.003614923000
  0.122515090000  0.048615594000  0.022752211000  0.010781416000
  0.269223760000  0.116448520000  0.054716288000  0.026347044000
  0.392279050000  0.210305600000  0.103742760000  0.049607953000
  0.284340170000  0.182725620000  0.092450553000  0.046000591000
  0.051580982000 -0.230963700000 -0.160079460000 -0.086246767000
 -0.016401193000 -0.599667060000 -0.569425620000 -0.313361000000
 -0.000591492250 -0.320939270000 -0.321292940000 -0.208960170000
  0.001224365700 -0.029912860000  0.684605420000  0.639266840000
  0.005916611200  0.004433717500  0.636458330000  0.829176980000
 -0.001511860800 -0.000920149550  0.081411513000 -0.528403360000
 -0.001379055800 -0.000652548340 -0.001642069100 -0.884868100000
 -0.000361217840 -0.000248776260  0.000228599350 -0.139316200000
   12    3
  474.549430      100.890270      19.4547070
   9977.000000
   2411.000000
   822.3000000
   332.6000000
   148.6000000
   70.67000000
   34.13000000
   17.31000000
   8.914000000
   4.468000000
   2.230000000
   1.023000000
  0.003898075000  0.001920434700  0.000905934790
  0.024151667000  0.011990838000  0.005591424000
  0.094263845000  0.048363732000  0.022940099000
  0.246422200000  0.132605020000  0.063021955000
  0.398749920000  0.229907830000  0.112302350000
  0.324201120000  0.138347380000  0.058171895000
  0.091590487000 -0.285871530000 -0.197659570000
 -0.000484179930 -0.566909760000 -0.442889890000
  0.000181140010 -0.269595940000 -0.051507861000
  0.000175327910 -0.028691955000  0.599549880000
  0.001097777200 -0.000467192310  0.503304350000
  0.000088398678  0.000144112270  0.080062726000
   10    1
  56.5800000
   1067.000000
   333.2000000
   133.6000000
   60.08000000
   28.54000000
   14.09000000
   6.955000000
   3.400000000
   1.624000000
  0.7065000000
  0.003702622600
  0.026637923000
  0.106211010000
  0.267006710000
  0.405333720000
  0.316146790000
  0.093375648000
  0.005521495600
  0.000179283180
 -0.000130554130
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NdQR(5K)-[Kr,4d]
End of Spectral Representation Operator

/Pm.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.25e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* PmQR6L PmQR6L-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: PmQR6L-[Kr]
* mv+dw from PmQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  PmQR6L PmQR6L-[Kr]      (14s10p10d8f)
*            0.73*Bk(3d) rather than so-correct the basis set
*
 25.000000         4

   14    2
   1384018.650
   114067.8410
   16855.66890
   3412.509850
   855.7905130
   101.2332830
   58.90139180
   14.87346440
   3.058010190
   1.620728110
  0.6142906320
  0.2824683820
  0.6150458320E-01
  0.2486181030E-01
 -0.000082405673 -0.000022698733
 -0.000577836995 -0.000159164193
 -0.003115269930 -0.000858156919
 -0.013580314600 -0.003740989310
 -0.032731812500 -0.009023861560
  0.124432299000  0.034446040000
  0.082663302500  0.022930635100
 -0.557526826000 -0.157753679000
  0.921790539000  0.285893462000
  0.226345237000  0.073610716500
 -0.882560103000 -0.378932111000
 -0.486312976000 -0.365461231000
 -0.012557375000  0.685250064000
  0.003088120320  0.527785712000
   10    1
   2402.067050
   535.0362260
   162.5436550
   23.88646090
   10.07394340
   6.276187340
   2.990523140
  0.7068416140
  0.3244797060
  0.1336916310
 -0.003309057800
 -0.021694556800
 -0.058479495100
  0.187634208000
  0.136231274000
 -0.261213216000
 -0.390363583000
  0.553400442000
  0.507160188000
  0.098061248300
   10    2
   646.6957490
   189.7595010
   70.40534190
   28.79845130
   5.859606270
   2.737119460
   1.261214260
  0.5286119840
  0.2034780130
  0.7209829400E-01
 -0.005397504470  0.001398030940
 -0.039716221200  0.009958624480
 -0.140441646000  0.036786335700
 -0.227237287000  0.054893713700
  0.433232597000 -0.142019450000
  0.484641413000 -0.137365040000
  0.182103225000  0.061541944400
  0.016361584100  0.399693457000
  0.000057291580  0.504892172000
  0.000052133840  0.254080404000
    8    1
   113.8372700
   38.82271850
   15.74700290
   6.978499930
   3.149620980
   1.406608150
  0.6011471200
  0.2326909520
  0.006825298150
  0.043607041000
  0.143536209000
  0.285990048000
  0.367535956000
  0.322049072000
  0.188198155000
  0.056862489300
    3    1
 1.37700000D+01
 3.59000000D+00
 9.38000000D-01
 3.91033302D-01
 6.16519831D-01
 3.95190911D-01
*
* Core AIMP: PmQR6L PmQR6L-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   576071.8400
   116145.1800
   33744.08000
   11104.84400
   4003.386800
   1501.586500
   558.5858600
   246.4028100
   93.30405500
   40.88997700
   23.56935100
   6.787578200
   3.560773700

  0.016954940000
  0.016262731200
  0.027297082000
  0.044190180000
  0.063470412000
  0.076287924000
  0.126896004000
  0.193829836000
  0.100224540000
  0.403807320000
  0.089405628000
  0.230252904000
  0.051120488000
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3345.91620      552.961800      124.547740      26.7610120
   891600.0000
   110040.0000
   24070.00000
   7015.000000
   2443.000000
   961.1000000
   410.6000000
   166.7000000
   81.54000000
   40.76000000
   19.74000000
   10.28000000
   4.858000000
   2.501000000
   1.169000000
  0.003279626100  0.001197407400  0.000550294750  0.000263701040
  0.013516443000  0.005055373700  0.002346109200  0.001112704300
  0.045712222000  0.017359643000  0.008020580700  0.003853549300
  0.127649410000  0.051038055000  0.023944397000  0.011375806000
  0.276609370000  0.120743760000  0.057037001000  0.027575836000
  0.393245700000  0.213835450000  0.105871060000  0.050750600000
  0.273646070000  0.173185910000  0.088041611000  0.044118779000
  0.045936699000 -0.260474360000 -0.184180240000 -0.099791469000
 -0.016467698000 -0.603859010000 -0.584999050000 -0.324344440000
 -0.000460249490 -0.293972830000 -0.282997130000 -0.188930610000
  0.001700741700 -0.023267478000  0.713089660000  0.681175990000
  0.005857671000  0.003138603600  0.614562790000  0.799308220000
 -0.001627632600 -0.000525640770  0.073760525000 -0.578173560000
 -0.001423435300 -0.000869059100 -0.001422430100 -0.856997800000
 -0.000339224210 -0.000199087340  0.000154442580 -0.125694930000
   12    3
  494.086930      105.575890      20.3042820
   9992.000000
   2413.000000
   822.5000000
   332.4000000
   148.7000000
   70.92000000
   34.35000000
   17.49000000
   9.019000000
   4.560000000
   2.284000000
   1.048000000
  0.004166039200  0.002062161800  0.000973912680
  0.025641301000  0.012792707000  0.005998790600
  0.099434604000  0.051326072000  0.024409901000
  0.256129250000  0.138798560000  0.066352726000
  0.402409530000  0.233384800000  0.114286660000
  0.313068680000  0.124423140000  0.050675951000
  0.083117745000 -0.310548940000 -0.216909080000
 -0.001271525000 -0.563588230000 -0.443133280000
  0.000137160870 -0.250206600000 -0.016836838000
  0.000318203010 -0.024532132000  0.610094330000
  0.001077087400 -0.000597365990  0.483999860000
  0.000090864971  0.000177180930  0.073821481000
   10    1
  57.8700000
   1061.000000
   332.4000000
   133.7000000
   60.41000000
   28.86000000
   14.33000000
   7.106000000
   3.488000000
   1.671000000
  0.7273000000
  0.004067083300
  0.028797547000
  0.112552600000
  0.275443040000
  0.406125620000
  0.304924600000
  0.086420261000
  0.004845891300
  0.000188737120
 -0.000112039900
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PmQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Sm.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.26e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* SmQR7K SmQR7K-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: SmQR7K-[Kr]
* mv+dw from SmQR(7K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  SmQR7K SmQR7K-[Kr]      (14s10p10d8f)
*            1.00*Bk(3d) rather than so-correct the basis set
*
 26.000000         4

   14    2
   1599142.180
   129271.5680
   18668.69740
   3636.317400
   895.2934030
   104.3713410
   59.57355670
   15.55391640
   3.256771800
   1.927509150
  0.6223101870
  0.2869281630
  0.6317968030E-01
  0.2539293580E-01
  0.000078401729 -0.000021372241
  0.000548562968 -0.000149529033
  0.002991938740 -0.000815704621
  0.013752745300 -0.003748487630
  0.032218879800 -0.008792475020
 -0.129200816000  0.035438204600
 -0.078445551900  0.021448684900
  0.557907863000 -0.156099537000
 -0.859635955000  0.263079222000
 -0.260787984000  0.082799607200
  0.883066497000 -0.378084936000
  0.461314147000 -0.350420259000
  0.011541762100  0.681187189000
 -0.002777945610  0.530571180000
   10    1
   2506.604790
   557.3426530
   169.1713030
   24.86066200
   10.07045830
   6.835035240
   3.159109310
  0.7310470340
  0.3329859550
  0.1364967220
 -0.003307657230
 -0.021689725900
 -0.058586527000
  0.189035199000
  0.164534643000
 -0.283331943000
 -0.393237020000
  0.557000241000
  0.503999697000
  0.095743703800
   10    2
   679.8549090
   199.0504250
   73.73091750
   30.15909520
   6.183186230
   2.907652670
   1.343985040
  0.5477500380
  0.2078519240
  0.7315196830E-01
 -0.005327712620  0.001362412600
 -0.039511743600  0.009775774460
 -0.140885909000  0.036435827700
 -0.228334832000  0.054413318100
  0.429236561000 -0.139158588000
  0.482650721000 -0.136928702000
  0.188009481000  0.060440559100
  0.017223853800  0.405095932000
 -0.000175775396  0.505252114000
  0.000149587908  0.251857141000
    8    1
   125.3808950
   42.55411260
   17.16012220
   7.559412220
   3.401303240
   1.519734960
  0.6510082260
  0.2523234950
  0.006249988240
  0.041636497000
  0.141342180000
  0.286675563000
  0.368343289000
  0.321963982000
  0.189250596000
  0.058302789800
    3    1
 1.47700000D+01
 3.86000000D+00
 1.00700000D+00
 3.89980786D-01
 6.16798462D-01
 3.95646197D-01
*
* Core AIMP: SmQR7K SmQR7K-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   502759.8400
   103716.2800
   30989.38000
   10416.86400
   3808.496800
   1434.241500
   542.6788600
   244.5198100
   88.01665500
   40.97347700
   21.91714100
   7.061928200
   3.701430700

  0.017788705385
  0.016516658846
  0.027465157692
  0.043960807692
  0.062074450000
  0.074342923077
  0.127484692308
  0.181641234615
  0.104841426923
  0.400678192308
  0.058857242308
  0.221379330769
  0.047584576923
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3468.34220      575.857460      130.180830      27.9078350
   891200.0000
   110050.0000
   23960.00000
   6965.000000
   2424.000000
   954.9000000
   409.5000000
   166.4000000
   80.82000000
   40.09000000
   20.03000000
   10.46000000
   4.996000000
   2.568000000
   1.198000000
  0.003491865100  0.001280289000  0.000590503150  0.000283613980
  0.014309798000  0.005382006100  0.002503547400  0.001191333700
  0.048271622000  0.018432400000  0.008550198600  0.004117262700
  0.133772710000  0.053920236000  0.025365948000  0.012092569000
  0.285614170000  0.125927970000  0.059784010000  0.028978801000
  0.394118570000  0.217891450000  0.108353440000  0.052136908000
  0.260678080000  0.160895700000  0.081991108000  0.041246725000
  0.039334197000 -0.295348280000 -0.213022140000 -0.115666320000
 -0.016196652000 -0.607934160000 -0.603094640000 -0.338059700000
 -0.000373492630 -0.262771390000 -0.230929500000 -0.158226490000
  0.002345098100 -0.014572280000  0.746520270000  0.730061320000
  0.005674103400  0.001404998700  0.581266190000  0.757250480000
 -0.001720001600  0.000028128583  0.066430337000 -0.620054920000
 -0.001484407500 -0.001147087100 -0.000967081770 -0.833276450000
 -0.000320323800 -0.000140493400  0.000073385994 -0.115874550000
   12    3
  514.038270      110.354620      21.1629550
   9965.000000
   2404.000000
   820.2000000
   331.9000000
   148.7000000
   71.03000000
   34.39000000
   17.57000000
   9.066000000
   4.631000000
   2.334000000
   1.075000000
  0.004477788300  0.002227975300  0.001053224100
  0.027377173000  0.013719008000  0.006466478100
  0.104925480000  0.054508887000  0.025985928000
  0.265667600000  0.144905650000  0.069654376000
  0.405778540000  0.236731090000  0.116141210000
  0.301920210000  0.108578980000  0.041955534000
  0.074568187000 -0.338589310000 -0.239241360000
 -0.002182601500 -0.557630340000 -0.440076490000
  0.000202213590 -0.228568100000  0.023614120000
  0.000422020210 -0.020199887000  0.617735930000
  0.001065643000 -0.000740058220  0.462059470000
  0.000089891633  0.000211262610  0.068397024000
   10    1
  83.1736370
   1074.000000
   334.7000000
   134.3000000
   60.71000000
   29.13000000
   14.54000000
   7.239000000
   3.566000000
   1.712000000
  0.7449000000
  0.004336376300
  0.030728060000
  0.119156550000
  0.284740340000
  0.406582360000
  0.293239300000
  0.079502008000
  0.004198699200
  0.000193554490
 -0.000094795009
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SmQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Eu.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.27e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* EuQR10D EuQR10D-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: EuQR10D-[Kr]
* mv+dw from EuQR(10D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  EuQR10D EuQR10D-[Kr]      (14s10p10d8f)
*            1.00*Bk(3d) rather than so-correct the basis set
*
 27.000000         4

   14    2
   1770245.740
   141778.9260
   20230.04710
   3785.473620
   920.6404300
   110.1720800
   63.02156910
   16.27498390
   3.345468640
   1.765224380
  0.6321598420
  0.2764829860
  0.5169511620E-01
  0.2201113260E-01
 -0.000073830877 -0.000019415310
 -0.000511933100 -0.000134614937
 -0.002801661360 -0.000736839296
 -0.013764491900 -0.003618914660
 -0.029927062200 -0.007877101750
  0.118821559000  0.031363617400
  0.081062099300  0.021503530100
 -0.533496709000 -0.143978053000
  0.861973671000  0.255684197000
  0.219781042000  0.058247271900
 -0.850292514000 -0.326792818000
 -0.485404743000 -0.338395447000
 -0.016392982500  0.701313211000
  0.000768445230  0.477154378000
   10    1
   2614.867080
   580.3534650
   175.9685420
   25.89625800
   10.99717910
   6.696952240
   3.214231280
  0.7445462570
  0.3333095750
  0.1375176250
 -0.003153475330
 -0.020683555700
 -0.055989982600
  0.179851334000
  0.119099349000
 -0.247731074000
 -0.355799670000
  0.512982906000
  0.519330290000
  0.124022256000
   10    2
   705.3968220
   206.9463760
   76.88279110
   31.55540880
   6.451386370
   2.989619360
   1.338807070
  0.4743186400
  0.1508267570
  0.4531105250E-01
 -0.005351068250  0.000947440793
 -0.039493216000  0.006761367880
 -0.140497822000  0.025149942100
 -0.227776085000  0.037601791800
  0.433398597000 -0.094424191800
  0.487226097000 -0.098529269100
  0.185686858000  0.054589191200
  0.014357332500  0.328797455000
 -0.000679027730  0.497591649000
  0.000233357492  0.409122341000
    8    1
   133.9258010
   45.47987550
   18.37375210
   8.084554960
   3.605604230
   1.573171120
  0.6414595250
  0.2270915710
  0.005821836150
  0.039281285300
  0.134511880000
  0.276674023000
  0.362882223000
  0.331276071000
  0.211986919000
  0.081815667500
    3    1
 1.42100000D+01
 3.61000000D+00
 8.87000000D-01
 4.13926285D-01
 6.17057922D-01
 3.89928602D-01
*
* Core AIMP: EuQR10D EuQR10D-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   522941.8400
   108122.9800
   32349.28000
   10884.54400
   3982.716800
   1499.234500
   564.2268600
   253.2688100
   89.59935500
   42.11807700
   21.05230100
   7.308978200
   3.800330700

  0.017131642222
  0.015876142963
  0.026385228519
  0.042191959259
  0.059618129630
  0.071748237037
  0.123608911111
  0.175421822222
  0.104997266667
  0.390805333333
  0.048626103704
  0.212605303704
  0.044317248148
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3592.72120      598.600970      135.155860      28.3199950
   891000.0000
   110090.0000
   23940.00000
   6941.000000
   2411.000000
   949.9000000
   408.7000000
   166.6000000
   80.32000000
   39.30000000
   20.23000000
   10.58000000
   5.090000000
   2.602000000
   1.205000000
  0.003719733800  0.001369911000  0.000634089760  0.000304476420
  0.015102260000  0.005711272200  0.002662565100  0.001267422800
  0.050689163000  0.019464787000  0.009064732800  0.004364198300
  0.139704900000  0.056751005000  0.026765463000  0.012765253000
  0.294435020000  0.131117380000  0.062560331000  0.030328151000
  0.394640550000  0.221622880000  0.110649130000  0.053277673000
  0.247862970000  0.147997860000  0.075524688000  0.038068761000
  0.033377714000 -0.327786170000 -0.241028100000 -0.130986450000
 -0.015810216000 -0.610169020000 -0.618151170000 -0.349132280000
 -0.000331258140 -0.234775210000 -0.176082170000 -0.123988430000
  0.003074461200 -0.005910727000  0.779247900000  0.780084060000
  0.005386972300 -0.000334540310  0.544085700000  0.700878860000
 -0.001821976700  0.000539310990  0.057692077000 -0.667634350000
 -0.001521883800 -0.001391680100 -0.000520231600 -0.799289270000
 -0.000295270790 -0.000081111458  0.000028350370 -0.104955010000
   12    3
  533.698530      114.442260      21.2994760
   10023.00000
   2416.000000
   822.8000000
   332.1000000
   148.6000000
   71.04000000
   34.53000000
   17.67000000
   9.088000000
   4.623000000
   2.311000000
   1.042000000
  0.004742266500  0.002368951100  0.001118409200
  0.028851966000  0.014530204000  0.006853479400
  0.110141920000  0.057527936000  0.027411025000
  0.275778470000  0.151483210000  0.072905881000
  0.409521330000  0.239831040000  0.117530400000
  0.289713470000  0.091880728000  0.032286210000
  0.066224631000 -0.364555620000 -0.258957520000
 -0.002453969100 -0.551350250000 -0.434904850000
  0.000051846453 -0.208568790000  0.070293951000
  0.000668482110 -0.015919691000  0.633293180000
  0.000983834500 -0.000735031560  0.431216390000
  0.000085487918  0.000195635480  0.056757134000
   10    1
  86.3742300
   1069.000000
   333.6000000
   133.9000000
   60.48000000
   28.98000000
   14.43000000
   7.136000000
   3.491000000
   1.658000000
  0.7014000000
  0.004745612500
  0.033231810000
  0.127163000000
  0.297767370000
  0.410799510000
  0.277559400000
  0.067801417000
  0.002850295800
  0.000242274230
 -0.000064004437
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EuQR(10D)-[Kr,4d]
End of Spectral Representation Operator

/Gd.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.28e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* GdQR9D GdQR9D-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: GdQR9D-[Kr]
* mv+dw from GdQR(9D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  GdQR9D GdQR9D-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
*
 28.000000         4

   14    2
   1901009.160
   150928.0590
   21343.06110
   3962.151190
   959.6804120
   114.6014420
   65.88561370
   16.96953660
   3.553040730
   2.002352250
  0.6824981060
  0.3122899130
  0.6650573070E-01
  0.2658991320E-01
  0.000077420931 -0.000020838410
  0.000533726805 -0.000143642574
  0.002909535160 -0.000783264608
  0.014303608900 -0.003848622820
  0.030916616200 -0.008332127550
 -0.122591718000  0.033194792700
 -0.084000616800  0.022676944300
  0.553613883000 -0.152823490000
 -0.862906136000  0.259602491000
 -0.254225268000  0.080655935400
  0.864800791000 -0.359703126000
  0.482997219000 -0.357640401000
  0.012771532800  0.676571682000
 -0.003198299310  0.529974644000
   10    1
   2728.361720
   604.2818770
   182.9978040
   26.89614860
   10.60931600
   7.502968000
   3.425829210
  0.7984667740
  0.3650563420
  0.1502195600
 -0.003295765080
 -0.021632263400
 -0.058712211700
  0.190523302000
  0.180354289000
 -0.304976849000
 -0.383759891000
  0.537384661000
  0.512420094000
  0.106906214000
   10    2
   738.8331220
   216.5901760
   80.42697000
   33.01818380
   6.781190770
   3.176812250
   1.462777850
  0.5928350840
  0.2200443980
  0.7467695830E-01
 -0.005324048580  0.001266279950
 -0.039453818600  0.009070296880
 -0.141294101000  0.033992706200
 -0.230011955000  0.050922671800
  0.433685173000 -0.130531303000
  0.481653311000 -0.125729662000
  0.185554875000  0.053963807500
  0.016762121700  0.378892736000
 -0.000112878015  0.510695924000
  0.000140239705  0.289174691000
    8    1
   155.0570480
   52.85551790
   21.57476660
   9.617699120
   4.383364160
   1.972736080
  0.8433109770
  0.3221391600
  0.004897283590
  0.034475106100
  0.121953054000
  0.263741554000
  0.360584270000
  0.338333869000
  0.213838767000
  0.072369648600
    3    1
 1.67400000D+01
 4.40000000D+00
 1.15200000D+00
 3.90243441D-01
 6.16542392D-01
 3.93723313D-01
*
* Core AIMP: GdQR9D GdQR9D-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   541639.8400
   111511.9800
   33244.78000
   11154.80400
   4071.486800
   1526.869500
   574.5858600
   258.5858100
   88.53155500
   42.82087700
   18.67065100
   7.555358200
   3.951278700

  0.016583096429
  0.015429910357
  0.025685301786
  0.041063007143
  0.057910185714
  0.069812939286
  0.121482864286
  0.168041800000
  0.109489164286
  0.378695357143
  0.037342885714
  0.204307200000
  0.039870582143
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3721.06090      623.330850      141.823830      30.2479530
   890299.9800
   110156.6600
   23906.41000
   6913.035400
   2397.249100
   944.9089500
   407.7837200
   166.8346200
   79.98913300
   38.86782000
   20.21366400
   10.58465400
   5.103701800
   2.613428300
   1.205000000
  0.003958630200  0.001464468900  0.000679815200  0.000327920930
  0.015932597000  0.006057324300  0.002831333600  0.001354018500
  0.053230954000  0.020558700000  0.009604360100  0.004645533500
  0.145839830000  0.059697335000  0.028241118000  0.013532538000
  0.303106970000  0.136354680000  0.065326405000  0.031828933000
  0.394438210000  0.224873380000  0.112814260000  0.054581323000
  0.235122440000  0.134224160000  0.068174402000  0.034642551000
  0.027838709000 -0.359423250000 -0.268565820000 -0.146970460000
 -0.015371385000 -0.606302360000 -0.628333790000 -0.358952320000
 -0.000309317140 -0.209560810000 -0.112808620000 -0.082712091000
  0.003947715200 -0.001405612700  0.810457780000  0.841437470000
  0.004968699300 -0.000505594860  0.497474020000  0.627240510000
 -0.002005769600  0.000353965270  0.047394804000 -0.741704200000
 -0.001521381800 -0.001360200300 -0.000405552240 -0.748145280000
 -0.000247452960 -0.000065744157 -0.000057793915 -0.084001143000
   12    3
  555.175970      120.176280      22.8977080
   9953.790300
   2404.182600
   819.8989600
   331.6123200
   148.6751000
   71.10496900
   34.41708300
   17.60604700
   9.014586600
   4.638785300
   2.348061200
   1.077600000
  0.005104906300  0.002563213600  0.001214264400
  0.030768075000  0.015556164000  0.007393884100
  0.116001090000  0.060971895000  0.029191883000
  0.284917510000  0.157422720000  0.076382697000
  0.411459590000  0.242095430000  0.119047100000
  0.278745540000  0.073572325000  0.022040580000
  0.058542231000 -0.395691290000 -0.286021290000
 -0.003213871700 -0.541341230000 -0.426163810000
  0.000212167280 -0.184742400000  0.122766670000
  0.000755127270 -0.011532018000  0.638414840000
  0.000961857800 -0.000884398080  0.399767370000
  0.000077283528  0.000254026300  0.050056032000
   10    1
  273.500000
   1080.357400
   335.7336500
   134.5175500
   60.72932900
   29.14513700
   14.56861500
   7.280210700
   3.601282000
   1.735330000
  0.7540700000
  0.005051513200
  0.035347694000
  0.134032220000
  0.307711640000
  0.411114330000
  0.263823450000
  0.061499114000
  0.002717858100
  0.000136448540
 -0.000050966711
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GdQR(9D)-[Kr,4d]
End of Spectral Representation Operator

/Tb.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.29e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* TbQR8H TbQR8H-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: TbQR8H-[Kr]
* mv+dw from TbQR(8H)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  TbQR8H TbQR8H-[Kr]      (14s10p10d8f)
*            1.20*Bk(3d) rather than so-correct the basis set
*
 29.000000         4

   14    2
   2104999.520
   164479.4030
   22840.03120
   4174.389420
   1003.829060
   118.2856360
   67.42949160
   17.73624880
   3.682893620
   1.931798570
  0.7241695690
  0.3287406880
  0.6860639730E-01
  0.2736328230E-01
 -0.000076821620 -0.000020606318
 -0.000529373158 -0.000141983910
 -0.002898564680 -0.000777634849
 -0.014345782900 -0.003846798250
 -0.030940648600 -0.008309730160
  0.126011861000  0.034002867200
  0.081388066200  0.021887090800
 -0.553443400000 -0.152193567000
  0.889535497000  0.266427929000
  0.238782587000  0.076535646600
 -0.858568553000 -0.352006907000
 -0.501996579000 -0.365579819000
 -0.013709310200  0.675920353000
  0.003505660420  0.528425252000
   10    1
   2845.163910
   628.8683310
   190.2048950
   27.93396790
   10.59443090
   8.057991140
   3.583288760
  0.8312972800
  0.3795251430
  0.1561326240
 -0.003295518820
 -0.021640251500
 -0.058884423100
  0.191946123000
  0.231009081000
 -0.355079690000
 -0.383354213000
  0.534224911000
  0.513223622000
  0.108804572000
   10    2
   767.2186570
   224.9926170
   83.66843760
   34.44017980
   7.103742530
   3.324052250
   1.521215030
  0.5961074120
  0.2157345070
  0.7164967390E-01
 -0.005363394530  0.001205339400
 -0.039712732200  0.008620379120
 -0.142042448000  0.032294768800
 -0.231077225000  0.048276024700
  0.433952683000 -0.122489982000
  0.482935534000 -0.119680152000
  0.185171681000  0.053844453600
  0.015873492800  0.373512079000
 -0.000369572328  0.511382242000
  0.000159607768  0.303132233000
    8    1
   161.4284500
   55.10137030
   22.53290920
   10.04408000
   4.559173500
   2.035184430
  0.8606231210
  0.3256773980
  0.004977078350
  0.035015956900
  0.123761551000
  0.266677202000
  0.362418404000
  0.337655956000
  0.212123272000
  0.071804838300
    3    1
 1.74500000D+01
 4.57000000D+00
 1.18600000D+00
 3.95601406D-01
 6.16349388D-01
 3.91351163D-01
*
* Core AIMP: TbQR8H TbQR8H-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   561153.8400
   114932.0800
   34123.28000
   11410.34400
   4148.166800
   1547.481500
   584.1838600
   264.4098100
   88.88715500
   44.01217700
   17.56891100
   7.812498200
   4.088326700

  0.016067534138
  0.015026315517
  0.025051030345
  0.040077620690
  0.056460524138
  0.068083962069
  0.119088293103
  0.160559958621
  0.111045179310
  0.363052034483
  0.034296575862
  0.195715713793
  0.036854562069
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3851.48790      647.999910      147.918360      31.5047770
   891600.0000
   110180.0000
   24010.00000
   6982.000000
   2431.000000
   959.0000000
   413.9000000
   169.8000000
   80.86000000
   38.41000000
   20.52000000
   10.76000000
   5.240000000
   2.682000000
   1.234000000
  0.004213525300  0.001566104600  0.000729479300  0.000352534400
  0.016774998000  0.006411154100  0.003002307200  0.001439910100
  0.055233729000  0.021454818000  0.010061169000  0.004875936200
  0.149149940000  0.061470350000  0.029140045000  0.014003486000
  0.306707930000  0.138970360000  0.066878266000  0.032652279000
  0.394189390000  0.226547100000  0.113885390000  0.055280535000
  0.228720360000  0.126210630000  0.064200183000  0.032660548000
  0.024778828000 -0.377438370000 -0.286290120000 -0.157049630000
 -0.015226310000 -0.608106900000 -0.635800370000 -0.366459790000
 -0.000284138020 -0.194358410000 -0.070289318000 -0.052513691000
  0.004563371900  0.006198714200  0.826561780000  0.875460100000
  0.004747980500 -0.002462915800  0.468558310000  0.580494770000
 -0.002108597100  0.001008275000  0.042129923000 -0.770906780000
 -0.001561407200 -0.001655880000 -0.000065435415 -0.724983660000
 -0.000233949540 -0.000004944772 -0.000115548390 -0.077660457000
   12    3
  576.437950      125.299510      23.8327140
   10031.00000
   2413.000000
   821.6000000
   331.9000000
   148.7000000
   71.11000000
   34.45000000
   17.63000000
   8.989000000
   4.635000000
   2.352000000
   1.080000000
  0.005395656100  0.002720354500  0.001290321000
  0.032458711000  0.016483247000  0.007867146200
  0.121517710000  0.064218958000  0.030815487000
  0.294478950000  0.163731380000  0.079819708000
  0.413708050000  0.244046400000  0.120086420000
  0.266822610000  0.054551381000  0.011001827000
  0.051297003000 -0.422324540000 -0.309021130000
 -0.003405470200 -0.529479370000 -0.413713220000
  0.000188600090 -0.165239160000  0.172194070000
  0.000933325780 -0.008362895900  0.642917820000
  0.000894204090 -0.000903830480  0.368207200000
  0.000074140463  0.000259890990  0.042659146000
   10    1
  114.420000
   1080.000000
   335.9000000
   134.5000000
   60.69000000
   29.14000000
   14.56000000
   7.274000000
   3.601000000
   1.737000000
  0.7550000000
  0.005461326600
  0.037864000000
  0.141987930000
  0.318951520000
  0.411733010000
  0.249190160000
  0.053422051000
  0.002135958800
  0.000106789550
 -0.000030283175
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TbQR(8H)-[Kr,4d]
End of Spectral Representation Operator

/Dy.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.30e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* DyQR7K DyQR7K-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: DyQR7K-[Kr]
* mv+dw from DyQR(7K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  DyQR7K DyQR7K-[Kr]      (14s10p10d8f)
*            1.30*Bk(3d) rather than so-correct the basis set
*
 30.000000         4

   14    2
   2281609.080
   176347.5860
   24200.19370
   4368.062950
   1044.894990
   122.9315030
   70.06305670
   18.50311890
   3.846843070
   1.999959300
  0.7541862220
  0.3410721720
  0.7048172130E-01
  0.2800721080E-01
 -0.000077309248 -0.000020606899
 -0.000530654357 -0.000141434428
 -0.002901746240 -0.000773595139
 -0.014455162100 -0.003851811490
 -0.030815449100 -0.008223870760
  0.126021045000  0.033790632500
  0.081526771900  0.021780499500
 -0.552731973000 -0.150992364000
  0.886432064000  0.263405518000
  0.238982640000  0.076327571000
 -0.854746307000 -0.346710459000
 -0.505125366000 -0.365069177000
 -0.013932768700  0.674184547000
  0.003592049920  0.528189597000
   10    1
   2965.149250
   654.0969110
   197.5997380
   28.99406490
   10.77795200
   8.439852530
   3.723196620
  0.8669777200
  0.3951302490
  0.1620749360
 -0.003292901630
 -0.021626595100
 -0.058988847600
  0.193007844000
  0.258602624000
 -0.386415495000
 -0.378721239000
  0.527946163000
  0.516782487000
  0.111746789000
   10    2
   802.6833570
   235.1455720
   87.38858390
   35.97623810
   7.420861010
   3.468116490
   1.582043070
  0.6104566370
  0.2181003860
  0.7147535470E-01
 -0.005312304230  0.001156299130
 -0.039511454200  0.008301791200
 -0.142190152000  0.031310085700
 -0.232334765000  0.046988510800
  0.435555941000 -0.118775058000
  0.482832527000 -0.116077837000
  0.184271126000  0.053930242100
  0.015424887700  0.369141318000
 -0.000422815485  0.511392379000
  0.000169569293  0.312783661000
    8    1
   171.1992430
   58.43012510
   23.91245710
   10.67139630
   4.849432980
   2.161592380
  0.9106981350
  0.3418584770
  0.004842798470
  0.034476199600
  0.122811005000
  0.265266830000
  0.361034097000
  0.338227979000
  0.215317958000
  0.075153854500
    3    1
 1.83500000D+01
 4.80000000D+00
 1.23700000D+00
 3.97116315D-01
 6.16157552D-01
 3.91880643D-01
*
* Core AIMP: DyQR7K DyQR7K-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   504070.8400
   107114.0800
   32636.88000
   11131.19400
   4103.306800
   1541.032500
   588.5278600
   269.1148100
   88.98765500
   45.17697700
   16.09274100
   8.016848200
   4.205457700

  0.016568845667
  0.015005006667
  0.024805271667
  0.039267016667
  0.054683480000
  0.066141343333
  0.117124880000
  0.152440466667
  0.113527353333
  0.346550133333
  0.034970276667
  0.185634463333
  0.033281456667
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  3984.62090      673.246620      154.136390      32.7684120
   891600.0000
   110250.0000
   24130.00000
   7034.000000
   2449.000000
   965.1000000
   416.5000000
   171.8000000
   81.38000000
   37.89000000
   20.57000000
   10.78000000
   5.340000000
   2.731000000
   1.252000000
  0.004484424100  0.001674702900  0.000782529110  0.000378732930
  0.017630028000  0.006773534800  0.003178136000  0.001528575300
  0.057298902000  0.022385895000  0.010535134000  0.005113021200
  0.153388630000  0.063655547000  0.030240235000  0.014575621000
  0.312489940000  0.142767420000  0.069008490000  0.033742207000
  0.394143100000  0.228825690000  0.115327490000  0.056184756000
  0.219622830000  0.115051600000  0.058350419000  0.029663276000
  0.020802114000 -0.399377560000 -0.307634520000 -0.169108030000
 -0.014822743000 -0.605155090000 -0.639978240000 -0.372538230000
 -0.000299647300 -0.177877100000 -0.012943027000 -0.008537775100
  0.005396751100  0.012186529000  0.843697870000  0.915715040000
  0.004304525900 -0.003879988300  0.427024890000  0.512248370000
 -0.002216551600  0.001426641300  0.034438548000 -0.808205960000
 -0.001590662600 -0.001839915100  0.000577392880 -0.693258400000
 -0.000211434310  0.000037931816 -0.000221355800 -0.069389589000
   12    3
  598.108180      130.503480      24.7633000
   10125.00000
   2429.000000
   824.7000000
   332.5000000
   148.9000000
   71.25000000
   34.71000000
   17.83000000
   9.111000000
   4.712000000
   2.398000000
   1.100000000
  0.005674145700  0.002870495000  0.001363762400
  0.034076300000  0.017385704000  0.008325903400
  0.127062230000  0.067474367000  0.032453436000
  0.303769160000  0.170000700000  0.083208740000
  0.414963930000  0.244949010000  0.120601460000
  0.254951010000  0.036318185000  0.000162592480
  0.045063652000 -0.441486950000 -0.326237640000
 -0.003233546000 -0.516297440000 -0.400491500000
  0.000027588824 -0.152502380000  0.203721690000
  0.001135703700 -0.007043563200  0.641017230000
  0.000833021940 -0.000818771520  0.350974400000
  0.000083059503  0.000241994470  0.039134591000
   10    1
  129.450000
   1079.000000
   336.1000000
   134.6000000
   60.69000000
   29.14000000
   14.55000000
   7.267000000
   3.600000000
   1.738000000
  0.7537000000
  0.005902211500
  0.040447831000
  0.149922160000
  0.330018090000
  0.411380690000
  0.234611920000
  0.046251725000
  0.001699181600
  0.000079595109
 -0.000012847888
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
DyQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Ho.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.31e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* HoQR6L HoQR6L-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: HoQR6L-[Kr]
* mv+dw from HoQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  HoQR6L HoQR6L-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
*
 31.000000         4

   14    2
   2474642.160
   189274.5800
   25661.84010
   4564.843430
   1085.910060
   127.9724630
   73.12411490
   19.27543260
   4.034136260
   2.165924050
  0.7763323040
  0.3509368810
  0.7225609930E-01
  0.2860874340E-01
 -0.000077551538 -0.000020514090
 -0.000530076441 -0.000140204412
 -0.002896244560 -0.000766253085
 -0.014581129100 -0.003855707280
 -0.030546449500 -0.008090273600
  0.124834977000  0.033218465000
  0.082369573200  0.021833545300
 -0.551561593000 -0.149479448000
  0.866658212000  0.255016860000
  0.246163449000  0.077698764800
 -0.850418704000 -0.342197363000
 -0.499581825000 -0.359988962000
 -0.013693754300  0.671030345000
  0.003523159540  0.529487866000
   10    1
   3087.399890
   679.7132910
   205.0941230
   30.11311790
   10.92890400
   8.988512380
   3.889002760
  0.8977839310
  0.4076240010
  0.1668874240
 -0.003291131120
 -0.021615247700
 -0.059062516900
  0.193321585000
  0.327638887000
 -0.453925375000
 -0.377484197000
  0.526728408000
  0.516524107000
  0.112438911000
   10    2
   836.4774160
   245.0327380
   91.10422260
   37.54005570
   7.738692780
   3.610012400
   1.643782020
  0.6330940300
  0.2247183250
  0.7288682130E-01
 -0.005288178080  0.001129049810
 -0.039372712100  0.008110151730
 -0.142208169000  0.030717894700
 -0.233087243000  0.046217489000
  0.437988309000 -0.117274137000
  0.482215366000 -0.113445239000
  0.182861208000  0.053369490200
  0.015195627500  0.364083631000
 -0.000351232887  0.511897335000
  0.000165641754  0.320930728000
    8    1
   179.0595320
   61.11407210
   25.01472270
   11.15417120
   5.060158240
   2.252777750
  0.9474877320
  0.3542607170
  0.004850598160
  0.034717680700
  0.124127505000
  0.267639299000
  0.361464011000
  0.336055161000
  0.214484229000
  0.075950536800
    3    1
 1.92500000D+01
 5.03000000D+00
 1.28900000D+00
 3.99019867D-01
 6.16103742D-01
 3.91477776D-01
*
* Core AIMP: HoQR6L HoQR6L-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   522862.8400
   110983.9800
   33773.18000
   11501.70400
   4234.196900
   1587.290500
   606.0938600
   277.4358100
   90.79585500
   46.63517700
   15.12475100
   8.192218200
   4.312710700

  0.016058626452
  0.014557738710
  0.024088414839
  0.038125148387
  0.053046303226
  0.064289922581
  0.114172474194
  0.146925116129
  0.113528787097
  0.332888967742
  0.039326058065
  0.174534170968
  0.029748610645
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4120.50610      699.090760      160.490050      34.0474260
   890900.0000
   110700.0000
   24320.00000
   7104.000000
   2478.000000
   978.2000000
   423.4000000
   175.2000000
   82.90000000
   38.20000000
   20.96000000
   10.99000000
   5.532000000
   2.831000000
   1.299000000
  0.004762638800  0.001787065700  0.000837474620  0.000405856320
  0.018446973000  0.007124786700  0.003349592800  0.001615361600
  0.059305388000  0.023303040000  0.011002910000  0.005346583000
  0.157161810000  0.065665881000  0.031263247000  0.015111444000
  0.316472060000  0.145660990000  0.070687500000  0.034606433000
  0.392457890000  0.229657150000  0.116012550000  0.056712074000
  0.213117750000  0.106259670000  0.053647568000  0.027195857000
  0.018762919000 -0.412609060000 -0.321727830000 -0.177185180000
 -0.015040889000 -0.600898660000 -0.639523230000 -0.375127710000
 -0.000043639612 -0.168944790000  0.021806194000  0.020461774000
  0.005744114100  0.015407393000  0.848348930000  0.932969110000
  0.004240101200 -0.004694155400  0.405092940000  0.477052120000
 -0.002350289200  0.001700553800  0.030643314000 -0.818558620000
 -0.001628455200 -0.001976930600  0.001077634000 -0.683897610000
 -0.000215800800  0.000055150772 -0.000298866370 -0.068177110000
   12    3
  620.198070      135.798140      25.6971970
   10211.00000
   2453.000000
   834.6000000
   337.5000000
   151.5000000
   72.59000000
   35.42000000
   18.20000000
   9.271000000
   4.797000000
   2.443000000
   1.119000000
  0.005956449900  0.003024352200  0.001439334000
  0.035447553000  0.018161484000  0.008723011100
  0.130614890000  0.069682616000  0.033588717000
  0.308005620000  0.173222780000  0.085068732000
  0.414405040000  0.244980800000  0.120716570000
  0.249077250000  0.026387621000 -0.005838666700
  0.042092649000 -0.453280090000 -0.337788410000
 -0.003308642500 -0.509567080000 -0.391988140000
  0.000029305268 -0.143898330000  0.229428830000
  0.001244092900 -0.005697638400  0.640287020000
  0.000810749480 -0.000842297510  0.334916750000
  0.000082754445  0.000247155590  0.035840082000
   10    1
  311.200000
   1080.000000
   336.2000000
   134.6000000
   60.66000000
   29.13000000
   14.53000000
   7.283000000
   3.621000000
   1.753000000
  0.7590000000
  0.006360234600
  0.043213489000
  0.158199140000
  0.340790810000
  0.409983280000
  0.219887000000
  0.039793131000
  0.001571878600
  0.000001946516
  0.000015124511
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HoQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Er.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.32e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* ErQR5L ErQR5L-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: ErQR5L-[Kr]
* mv+dw from ErQR(5L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  ErQR5L ErQR5L-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
*
 32.000000         4

   14    2
   2639937.040
   200139.8990
   26899.74500
   4806.835200
   1140.789220
   131.4326040
   74.59741790
   20.10169820
   4.227213080
   2.323512380
  0.7987028590
  0.3604598160
  0.7412165700E-01
  0.2920792850E-01
 -0.000079818375 -0.000020950442
 -0.000543271627 -0.000142587366
 -0.002949084100 -0.000774163291
 -0.014453421200 -0.003792861260
 -0.031187774000 -0.008194210570
  0.130001107000  0.034322446300
  0.078203653300  0.020555535300
 -0.552246860000 -0.148450640000
  0.851960768000  0.248260894000
  0.250735816000  0.078379335600
 -0.850429224000 -0.340142647000
 -0.491044535000 -0.353198588000
 -0.013323147500  0.668722521000
  0.003412566880  0.530135685000
   10    1
   3212.111480
   705.7996490
   212.7239940
   31.29590720
   11.99874810
   8.911309500
   4.039292720
  0.9277663220
  0.4185722960
  0.1705803150
 -0.003290549570
 -0.021605496200
 -0.059117521100
  0.192672360000
  0.201302704000
 -0.331032053000
 -0.370491881000
  0.527883500000
  0.515777893000
  0.111461018000
   10    2
   869.3000560
   254.5822540
   94.69374200
   39.07398840
   8.087883260
   3.780460190
   1.723050180
  0.6599884410
  0.2325441450
  0.7478705780E-01
 -0.005290697990  0.001113745950
 -0.039426865100  0.008007930720
 -0.142624958000  0.030376006700
 -0.233813998000  0.045726828900
  0.436635904000 -0.115264118000
  0.481530887000 -0.111816763000
  0.184810367000  0.051099672100
  0.015664088300  0.359838019000
 -0.000383242051  0.512683777000
  0.000197618912  0.328523530000
    8    1
   187.5853450
   64.06248300
   26.27768420
   11.73489510
   5.328092520
   2.366861910
  0.9890852440
  0.3665603410
  0.004826553890
  0.034654300900
  0.124120652000
  0.267449397000
  0.360800677000
  0.336525635000
  0.215966068000
  0.077292266000
    3    1
 2.01200000D+01
 5.25000000D+00
 1.33800000D+00
 4.01619640D-01
 6.15998775D-01
 3.90462717D-01
*
* Core AIMP: ErQR5L ErQR5L-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   542198.8400
   114258.7800
   34717.98000
   11835.79400
   4355.766800
   1630.814500
   623.4598600
   286.0568100
   93.10975500
   48.23787700
   14.44359100
   8.326118200
   4.405489700

  0.015600399688
  0.014233583125
  0.023429455625
  0.037062900000
  0.051508853125
  0.062539475000
  0.111294400000
  0.141538500000
  0.112352159375
  0.320712687500
  0.046574221875
  0.161998675000
  0.026154683125
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4259.19620      725.558050      166.997650      35.3549910
   891400.0000
   110870.0000
   24410.00000
   7104.000000
   2465.000000
   969.0000000
   417.5000000
   176.2000000
   83.25000000
   38.09000000
   20.86000000
   10.90000000
   5.565000000
   2.845000000
   1.292000000
  0.005060367100  0.001908646200  0.000896874490  0.000435170500
  0.019353167000  0.007510786100  0.003538337200  0.001710801600
  0.061735477000  0.024415912000  0.011563737000  0.005625138900
  0.163455240000  0.068750109000  0.032809165000  0.015904037000
  0.325703740000  0.151612910000  0.073886473000  0.036212703000
  0.393053920000  0.232687990000  0.117960620000  0.057883173000
  0.199025840000  0.089328158000  0.044199727000  0.022302496000
  0.012457704000 -0.437147550000 -0.345836730000 -0.190947940000
 -0.013467069000 -0.589795720000 -0.636311370000 -0.376977980000
 -0.000772935870 -0.152476440000  0.089504220000  0.076884389000
  0.007290041900  0.016565159000  0.856054740000  0.966661450000
  0.003210704300 -0.004683049200  0.359851820000  0.389574540000
 -0.002245471200  0.001521249000  0.022911840000 -0.859990380000
 -0.001710811300 -0.001920367000  0.001409569200 -0.639636480000
 -0.000163102740  0.000059996139 -0.000349416360 -0.056722544000
   12    3
  642.724550      141.199500      26.6464230
   10280.00000
   2460.000000
   837.9000000
   339.0000000
   152.1000000
   72.81000000
   35.69000000
   18.36000000
   9.322000000
   4.823000000
   2.454000000
   1.117000000
  0.006298226500  0.003207740000  0.001528315000
  0.037271544000  0.019184617000  0.009243959700
  0.135772000000  0.072763003000  0.035137226000
  0.315967780000  0.178786580000  0.088134263000
  0.415144570000  0.245112810000  0.120691960000
  0.238365250000  0.008254983100 -0.016788937000
  0.036586429000 -0.471286740000 -0.354841000000
 -0.003054651500 -0.496555860000 -0.375580650000
 -0.000093461298 -0.131087690000  0.266704910000
  0.001447941700 -0.004098301100  0.638378520000
  0.000731509780 -0.000824232030  0.311324070000
  0.000085613718  0.000242046150  0.030639413000
   10    1
  324.770000
   1082.000000
   336.4000000
   134.5000000
   60.58000000
   29.16000000
   14.58000000
   7.347000000
   3.669000000
   1.780000000
  0.7683000000
  0.006833583700
  0.046118734000
  0.167010300000
  0.350987460000
  0.405781790000
  0.206138280000
  0.035025570000
  0.001464316700
 -0.000030841835
  0.000030028476
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ErQR(5L)-[Kr,4d]
End of Spectral Representation Operator

/Tm.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.33e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* TmQR4K TmQR4K-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: TmQR4K-[Kr]
* mv+dw from TmQR(4K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  TmQR4K TmQR4K-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
*
 33.000000         4

   14    2
   2851698.900
   214137.2070
   28462.30490
   5023.543430
   1186.148630
   136.4965270
   77.44915680
   20.92882370
   4.396279500
   2.357552260
  0.8337455170
  0.3741625760
  0.7586751260E-01
  0.2981829950E-01
 -0.000080374849 -0.000020945334
 -0.000544609201 -0.000141914376
 -0.002950213400 -0.000768909027
 -0.014549359200 -0.003790663710
 -0.030989315000 -0.008083665460
  0.129597224000  0.033969514100
  0.078414074800  0.020458739900
 -0.550890275000 -0.146979529000
  0.855516008000  0.247244373000
  0.247516250000  0.077022260500
 -0.845987880000 -0.333604967000
 -0.498396383000 -0.354277366000
 -0.013608963500  0.665682554000
  0.003527255290  0.530684387000
   10    1
   3344.237670
   733.2846790
   220.6665640
   32.45748240
   12.92120560
   8.844697080
   4.153823970
  0.9700342320
  0.4386776340
  0.1792891850
 -0.003284950260
 -0.021575700100
 -0.059175383600
  0.192722336000
  0.150581629000
 -0.290148154000
 -0.359671603000
  0.516659959000
  0.520840418000
  0.118632448000
   10    2
   904.3913550
   264.7989000
   98.53631590
   40.69964290
   8.412449890
   3.916325090
   1.774333720
  0.6709492820
  0.2344326460
  0.7471317230E-01
 -0.005275230810  0.001089979020
 -0.039353667300  0.007841222820
 -0.142735560000  0.029838640600
 -0.234692975000  0.045035357500
  0.439772422000 -0.113695032000
  0.482256743000 -0.110109128000
  0.181900838000  0.054408774400
  0.014796596100  0.360831733000
 -0.000346719447  0.511907442000
  0.000193096054  0.329982952000
    8    1
   211.2818290
   72.07710280
   29.63683440
   13.25387050
   6.032210420
   2.678487600
   1.114707810
  0.4075243170
  0.004058706860
  0.030301008900
  0.112448220000
  0.253585931000
  0.356375714000
  0.345337441000
  0.231707407000
  0.089244285000
    3    1
 2.10000000D+01
 5.47000000D+00
 1.38600000D+00
 4.04202534D-01
 6.16029807D-01
 3.89389139D-01
*
* Core AIMP: TmQR4K TmQR4K-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   562627.8400
   118273.8800
   35868.88000
   12210.51400
   4487.526900
   1676.860500
   640.9538600
   294.4428100
   94.98325500
   49.78187700
   13.71009100
   8.354918200
   4.464686700

  0.015145261818
  0.013851714545
  0.022809296364
  0.036066130303
  0.050072409091
  0.060935427273
  0.108780772727
  0.136521145455
  0.112420078788
  0.307940666667
  0.059119669697
  0.145179512121
  0.022067014545
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4400.73540      752.663720      173.665490      36.6948740
   895700.0000
   111400.0000
   24520.00000
   7163.000000
   2490.000000
   978.5000000
   421.9000000
   179.1000000
   84.54000000
   38.02000000
   21.06000000
   11.02000000
   5.614000000
   2.864000000
   1.282000000
  0.005349112500  0.002027276000  0.000955344450  0.000464313200
  0.020299422000  0.007919141800  0.003736915100  0.001810104400
  0.064024674000  0.025473274000  0.012104986000  0.005898775000
  0.167290640000  0.070842468000  0.033868024000  0.016447698000
  0.330214970000  0.154914520000  0.075811372000  0.037228637000
  0.391709520000  0.233617350000  0.118611980000  0.058317858000
  0.191412480000  0.078248204000  0.038137241000  0.019234373000
  0.010056130000 -0.451189780000 -0.361946060000 -0.200620980000
 -0.013548455000 -0.583764270000 -0.631900930000 -0.376549310000
 -0.000415081690 -0.143373030000  0.138465960000  0.118931460000
  0.007705133100  0.020436140000  0.850745330000  0.981613520000
  0.002927421300 -0.005854465300  0.333247950000  0.323748150000
 -0.002409785900  0.001833725800  0.019237932000 -0.890057400000
 -0.001675218100 -0.002053982900  0.001243247300 -0.600147880000
 -0.000139406100  0.000100976930 -0.000326156050 -0.047029309000
   12    3
  665.693720      146.711560      27.6141070
   10441.00000
   2493.000000
   847.5000000
   342.8000000
   153.9000000
   73.66000000
   36.13000000
   18.59000000
   9.430000000
   4.869000000
   2.473000000
   1.118000000
  0.006543749200  0.003344773500  0.001596515600
  0.038635665000  0.019963552000  0.009642485000
  0.140003900000  0.075368114000  0.036474226000
  0.321807810000  0.182978180000  0.090462873000
  0.414768890000  0.244843760000  0.120594290000
  0.230791420000 -0.006177357600 -0.025864681000
  0.032818959000 -0.486533230000 -0.369379310000
 -0.003030876500 -0.484465550000 -0.360496600000
 -0.000081562039 -0.120664800000  0.298179300000
  0.001571008000 -0.003232207000  0.635753170000
  0.000687271100 -0.000717427450  0.291251570000
  0.000083382608  0.000218880020  0.026545693000
   10    1
  338.150000
   1079.000000
   335.4000000
   134.4000000
   60.70000000
   29.29000000
   14.64000000
   7.390000000
   3.704000000
   1.803000000
  0.7770000000
  0.007400847400
  0.049344652000
  0.175163100000
  0.359082980000
  0.401850470000
  0.194167210000
  0.030565928000
  0.001377364300
 -0.000072083899
  0.000046321181
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TmQR(4K)-[Kr,4d]
End of Spectral Representation Operator

/Yb.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.34e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* YbQR3H YbQR3H-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: YbQR3H-[Kr]
* mv+dw from YbQR(3H)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  YbQR3H YbQR3H-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
*
 34.000000         4

   14    2
   3094284.120
   230102.5630
   30211.51010
   5228.090430
   1227.280470
   142.0849080
   80.58743630
   21.76471650
   4.559882370
   2.360511060
  0.8639336980
  0.3859936740
  0.7776342410E-01
  0.3047582640E-01
 -0.000080102030 -0.000020791881
 -0.000540407318 -0.000140263704
 -0.002926863730 -0.000759814776
 -0.014730110000 -0.003822539160
 -0.030348838800 -0.007885400350
  0.127706400000  0.033338715900
  0.079416847900  0.020639837200
 -0.548238605000 -0.145669422000
  0.861880684000  0.248018374000
  0.240431424000  0.074688082400
 -0.849013008000 -0.332507723000
 -0.498364221000 -0.352231600000
 -0.013551160400  0.665361651000
  0.003516381640  0.529553331000
   10    1
   3478.218210
   761.0339080
   228.7385280
   33.67980200
   14.19065910
   8.638066390
   4.251000380
   1.006955180
  0.4529683020
  0.1844559250
 -0.003283782260
 -0.021561907600
 -0.059234730900
  0.192174313000
  0.109094376000
 -0.263051636000
 -0.343456531000
  0.514084048000
  0.523321657000
  0.119419579000
   10    2
   943.1163820
   275.8050620
   102.5362490
   42.34648210
   8.769488540
   4.089915510
   1.854461060
  0.6937577740
  0.2390367630
  0.7500289420E-01
 -0.005230975480  0.001043058300
 -0.039185247400  0.007533329960
 -0.142904576000  0.028827323900
 -0.235685881000  0.043646772800
  0.438830256000 -0.109285330000
  0.481370296000 -0.106169583000
  0.183709105000  0.050672163100
  0.015125481700  0.351446504000
 -0.000448329042  0.512342772000
  0.000217489791  0.346715049000
    8    1
   216.9355430
   74.05562530
   30.46866590
   13.63473620
   6.203789460
   2.751927710
   1.143219360
  0.4168989910
  0.004206335370
  0.031282769600
  0.115522382000
  0.257476056000
  0.357254038000
  0.342491349000
  0.228516027000
  0.088117180900
    3    1
 2.20000000D+01
 5.73000000D+00
 1.44500000D+00
 4.04728839D-01
 6.15938336D-01
 3.90012427D-01
*
* Core AIMP: YbQR3H YbQR3H-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   515750.8400
   111195.9800
   34324.58000
   11843.41400
   4399.896900
   1652.695500
   639.7388600
   297.3238100
   94.67615500
   50.98047700
   12.68344100
   8.043038200
   4.403226700

  0.015557397059
  0.013910615294
  0.022790780882
  0.035666682353
  0.048809791176
  0.059746120588
  0.108028805882
  0.128821226471
  0.116739411765
  0.290747276471
  0.086513041176
  0.115579976471
  0.015912402647
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4545.16100      780.414130      180.489800      38.0631000
   906400.0000
   113140.0000
   24920.00000
   7249.000000
   2515.000000
   987.7000000
   425.4000000
   182.4000000
   86.19000000
   38.47000000
   21.27000000
   11.04000000
   5.722000000
   2.924000000
   1.307000000
  0.005620689300  0.002140756600  0.001011258000  0.000492036510
  0.021005080000  0.008234794600  0.003893666700  0.001890208600
  0.065927702000  0.026386671000  0.012573020000  0.006132870400
  0.171643880000  0.073140442000  0.035044640000  0.017060501000
  0.334938680000  0.158409240000  0.077787811000  0.038236490000
  0.390363670000  0.234249650000  0.119209060000  0.058794755000
  0.183927360000  0.067219264000  0.031745420000  0.015818284000
  0.007294571000 -0.462623410000 -0.375150540000 -0.208360410000
 -0.013272610000 -0.576470040000 -0.626854190000 -0.376146140000
 -0.000388569660 -0.136129430000  0.180353040000  0.158466250000
  0.008397768500  0.021889876000  0.851897280000  0.996467200000
  0.002477029600 -0.006479788300  0.305163670000  0.263861320000
 -0.002468800900  0.002090011000  0.013894684000 -0.905419970000
 -0.001700035300 -0.002165276800  0.001761201200 -0.574466170000
 -0.000125444500  0.000124789170 -0.000402550540 -0.043193191000
   12    3
  689.102530      152.328140      28.5961080
   10457.00000
   2491.000000
   846.7000000
   342.2000000
   153.6000000
   73.50000000
   36.34000000
   18.77000000
   9.511000000
   4.908000000
   2.491000000
   1.120000000
  0.006951896000  0.003562914300  0.001703279400
  0.040780108000  0.021171755000  0.010250827000
  0.146452980000  0.079184646000  0.038399017000
  0.331320810000  0.189626060000  0.094045934000
  0.413941560000  0.243164130000  0.119583770000
  0.218161340000 -0.027909264000 -0.039466551000
  0.027455497000 -0.500745660000 -0.383660670000
 -0.002631987800 -0.468717710000 -0.340411170000
 -0.000212423620 -0.110554080000  0.329736860000
  0.001761567000 -0.002179672800  0.630136660000
  0.000612098060 -0.000717651980  0.271562570000
  0.000088410483  0.000218013120  0.023099771000
   10    1
  351.750000
   1079.000000
   335.4000000
   134.4000000
   60.75000000
   29.40000000
   14.72000000
   7.442000000
   3.734000000
   1.816000000
  0.7775000000
  0.007950611800
  0.052515028000
  0.183812160000
  0.367431700000
  0.396165260000
  0.182482170000
  0.026951141000
  0.001239159100
 -0.000078382927
  0.000052139818
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YbQR(3H)-[Kr,4d]
End of Spectral Representation Operator

/Lu.ECP.Seijo.14s10p10d8f3g.2s1p2d1f1g.35e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Kr], [6s5p6d4f1g] recommended
*
* LuQR2D LuQR2D-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: LuQR2D-[Kr]
* mv+dw from LuQR(2D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  LuQR2D LuQR2D-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
*
 35.000000         4

   14    2
   3354445.510
   246653.3820
   31974.99940
   5529.100700
   1291.882350
   144.9151520
   80.54837370
   22.67860910
   4.769549340
   2.553302470
  0.8990482590
  0.4016909380
  0.8082079810E-01
  0.3158420800E-01
 -0.000081482607 -0.000021149205
 -0.000548367918 -0.000142325342
 -0.002960833250 -0.000768573725
 -0.014589784700 -0.003786238510
 -0.030969052700 -0.008044790390
  0.135816980000  0.035456347900
  0.072784169000  0.018886244900
 -0.549401397000 -0.145890296000
  0.844513778000  0.242305581000
  0.250684179000  0.078155907700
 -0.834865127000 -0.325973932000
 -0.505987206000 -0.357225161000
 -0.014295623700  0.662923710000
  0.003731387650  0.532461512000
   10    1
   3625.757420
   791.4810730
   237.4711550
   34.76965740
   15.75068480
   7.901359020
   4.043061080
   1.122074810
  0.5150511750
  0.2109350100
 -0.003269705240
 -0.021480070400
 -0.059273660800
  0.193496771000
  0.071628731800
 -0.286098528000
 -0.294468161000
  0.450314315000
  0.559214067000
  0.158709738000
   10    2
   979.8527730
   286.4308030
   106.5068110
   44.02223520
   9.115606840
   4.239796350
   1.909765450
  0.6912252090
  0.2316243030
  0.7075158330E-01
 -0.005216574420  0.000969250418
 -0.039123016200  0.007001598670
 -0.143033221000  0.026887978900
 -0.236398332000  0.040734468400
  0.440424061000 -0.101505108000
  0.482225408000 -0.099769601400
  0.182507759000  0.050186036000
  0.014177900200  0.342375753000
 -0.000604369497  0.511386703000
  0.000214496582  0.367658195000
    8    1
   226.9636970
   77.48624590
   31.90399690
   14.28171460
   6.496450530
   2.877971000
   1.192992910
  0.4337076390
  0.004167651810
  0.031156521800
  0.115535821000
  0.257832519000
  0.357423851000
  0.342241236000
  0.228707410000
  0.088830927200
    3    1
 2.28700000D+01
 5.95000000D+00
 1.49700000D+00
 4.07947825D-01
 6.15755802D-01
 3.87663253D-01
*
* Core AIMP: LuQR2D LuQR2D-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   534312.8400
   114653.5800
   35202.08000
   12066.45400
   4466.046800
   1674.112500
   649.8408600
   303.6728100
   96.09445500
   52.48157700
   12.36583100
   7.671538200
   4.211631700

  0.015144570857
  0.013611913429
  0.022393024857
  0.035116111429
  0.047685254286
  0.058601737143
  0.106437385714
  0.123052400000
  0.118024865714
  0.277592020000
  0.108503051429
  0.092656797143
  0.009752293429
M2
    0
COREREP
   1.0
PROJOP
    2
   15    4
  4692.52030      808.825200      187.476530      39.4637900
   905800.0000
   112930.0000
   24850.00000
   7227.000000
   2507.000000
   983.1000000
   421.1000000
   184.0000000
   87.06000000
   38.77000000
   21.31000000
   10.97000000
   5.750000000
   2.937000000
   1.294000000
  0.005968632300  0.002285638500  0.001082390800  0.000527174370
  0.022132528000  0.008717649700  0.004129381200  0.002008825200
  0.068923799000  0.027780260000  0.013275951000  0.006481447300
  0.177773220000  0.076256434000  0.036613448000  0.017865678000
  0.341972140000  0.163551850000  0.080641552000  0.039675947000
  0.388908510000  0.235042830000  0.119879880000  0.059315526000
  0.172269540000  0.050431535000  0.021925996000  0.010593230000
  0.002551667800 -0.480060950000 -0.394757280000 -0.219803630000
 -0.012263862000 -0.563785170000 -0.617296890000 -0.373510860000
 -0.000575959950 -0.124150500000  0.237626710000  0.212092740000
  0.009386547700  0.020968820000  0.846014160000  1.007597300000
  0.001684328100 -0.006010828900  0.272455240000  0.182008070000
 -0.002423337700  0.001751052400  0.008727171000 -0.925933130000
 -0.001721599200 -0.002038692300  0.002007246400 -0.533380500000
 -0.000090406728  0.000114019110 -0.000432704050 -0.035606811000
   12    3
  712.956950      158.052660      29.5960450
   10544.00000
   2506.000000
   850.9000000
   344.4000000
   154.9000000
   74.16000000
   36.74000000
   18.98000000
   9.620000000
   4.961000000
   2.516000000
   1.124000000
  0.007292542500  0.003749211100  0.001795084900
  0.042657333000  0.022237124000  0.010789130000
  0.151766820000  0.082418828000  0.040043015000
  0.337448710000  0.194137560000  0.096540576000
  0.412063760000  0.241276990000  0.118520810000
  0.209754680000 -0.044238337000 -0.049949593000
  0.023982329000 -0.514010680000 -0.396918030000
 -0.002531370300 -0.455026940000 -0.321817480000
 -0.000185271670 -0.101160040000  0.357714190000
  0.001864463300 -0.001759627500  0.623190600000
  0.000573857690 -0.000578113880  0.254995320000
  0.000087368463  0.000186582650  0.020339956000
   10    1
  365.590000
   1080.000000
   335.4000000
   134.5000000
   60.82000000
   29.45000000
   14.72000000
   7.435000000
   3.739000000
   1.830000000
  0.7886000000
  0.008528807700
  0.055794033000
  0.192289000000
  0.376014200000
  0.391076910000
  0.170345400000
  0.023007279000
  0.001127887300
 -0.000101596250
  0.000061458290
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LuQR(2D)-[Kr,4d]
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.3.1.c. Lanthanide Elements (core [M])                            *
********************************************************************************
*
/Ce.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.30e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* CeQR5I CeQR5I-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: CeQR5I-[M]
* mv+dw from CeQR(5I)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in CeQR5I CeQR5I-[M]
*            0.7*Bk(3d) rather than so-correct the basis set
*
 30.000000         4

   14    3
   986392.6680
   84898.94520
   13122.80590
   2810.648560
   737.4854800
   91.73404120
   54.84819770
   12.71994530
   2.622045140
   1.191990920
  0.5559644770
  0.2468536240
  0.5288669890E-01
  0.2241741260E-01
  0.000200029092 -0.000086193547 -0.000023871677
  0.001423780850 -0.000613189719 -0.000169827295
  0.007627151360 -0.003282962730 -0.000909264079
  0.031341635600 -0.013424048500 -0.003718507950
  0.076150495700 -0.032084836700 -0.008892988230
 -0.264034019000  0.111850154000  0.031147639100
 -0.214918650000  0.088474944000  0.024649220000
  1.149807780000 -0.555008116000 -0.158177346000
 -1.102669450000  0.967164770000  0.304227105000
 -0.242219477000  0.242610494000  0.077455860600
  0.004214401470 -0.920545095000 -0.391127093000
 -0.002625170960 -0.505049143000 -0.375996221000
  0.000350388073 -0.012121882300  0.700204219000
 -0.000151489703  0.004751310780  0.510773517000
   10    2
   2091.918500
   468.5909350
   142.8521140
   20.69517310
   8.182736780
   5.154590390
   2.260758790
  0.9370101420
  0.4161485420
  0.1659191260
  0.008881506610 -0.003303374750
  0.057856531700 -0.021657506300
  0.153750721000 -0.057196626100
 -0.473109953000  0.191128529000
 -0.377933418000  0.146484866000
  0.643485607000 -0.325062311000
  0.641376595000 -0.407871019000
  0.105369951000  0.271730361000
 -0.006040760030  0.690815515000
  0.001806554490  0.257678763000
   10    2
   567.3773430
   166.2767070
   61.47660960
   24.93685770
   4.988512550
   2.317891260
   1.059089780
  0.4335173460
  0.1603858150
  0.5550321290E-01
 -0.005338889520  0.001268684950
 -0.039178773700  0.009029645570
 -0.138040033000  0.033144102700
 -0.223277193000  0.049665333100
  0.432828054000 -0.127838357000
  0.489191034000 -0.129204045000
  0.179471703000  0.059972764700
  0.014263532800  0.380359225000
 -0.000032841876  0.503926349000
 -0.000036269426  0.291596628000
    8    1
   105.8362630
   35.43349610
   13.75515140
   5.772450200
   2.455655550
   1.032783270
  0.4124114990
  0.1462688790
  0.005225315050
  0.036129734100
  0.131603311000
  0.284740656000
  0.379701595000
  0.335739376000
  0.204423562000
  0.074953147100
    3    1
 1.00800000D+01
 2.53000000D+00
 6.17000000D-01
 4.10088012D-01
 6.17701017D-01
 3.97316307D-01
*
* Core AIMP: CeQR5I CeQR5I-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   13
   549380.8400
   117021.1800
   35394.68000
   11982.09400
   4431.176800
   1726.455500
   658.0008600
   283.7458100
   136.5872500
   45.56737700
   24.87490100
   13.30184800
   2.931084700

  0.012753930333
  0.011589444333
  0.019242499000
  0.031002139333
  0.045365456667
  0.054944986667
  0.075849260000
  0.138554786667
  0.095851530000
  0.189623313333
  0.221716410000
  0.036795996667
  0.000043579197
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  2993.84270      487.383730      108.232170
   890439.9800
   109876.6600
   23933.41000
   6976.035400
   2427.049100
   950.4089500
   401.8837200
   165.3946100
   81.05913300
   40.22782000
   18.02666400
   9.365654000
   4.329701800
   2.241528300
   1.050400000
  0.002693328500  0.000971664670  0.000440954520
  0.011473578000  0.004217595900  0.001943971100
  0.039758536000  0.014874456000  0.006779744600
  0.113673810000  0.044400370000  0.020667440000
  0.255516930000  0.108815210000  0.050593398000
  0.389703210000  0.203039390000  0.099377185000
  0.302518290000  0.199078120000  0.099718060000
  0.062126380000 -0.175407760000 -0.116366160000
 -0.014727254000 -0.593439040000 -0.541947260000
 -0.001426918200 -0.370002080000 -0.382149990000
  0.000932640370 -0.041669392000  0.643843880000
  0.005564311700  0.007313055300  0.666751750000
 -0.001279627600 -0.002023040600  0.088001765000
 -0.001283272100 -0.000055172390 -0.002893327600
 -0.000343519070 -0.000350570910  0.000425509850
   12    2
  436.530590      91.6198000
   10143.79000
   2441.182600
   834.0989600
   336.9123200
   149.4751000
   70.28496900
   33.51708300
   16.76604700
   8.559586600
   4.209785300
   2.082061200
  0.9481000000
  0.003325914800  0.001622080100
  0.020882892000  0.010260917000
  0.082807274000  0.041929074000
  0.225358290000  0.119424140000
  0.390620180000  0.222047550000
  0.348799420000  0.165146590000
  0.110014020000 -0.240799410000
  0.001115674300 -0.572376150000
  0.000408999780 -0.303444240000
 -0.000124737430 -0.035732657000
  0.001136478500 -0.000204965340
  0.000067991170  0.000086170296
   10    1
  47.4748000
   1050.357400
   326.7336500
   132.1175500
   60.42932900
   29.24513700
   14.57861500
   7.270210700
   3.511282000
   1.649330000
  0.7040700000
  0.003240571500
  0.023497608000
  0.093127076000
  0.235374050000
  0.380617470000
  0.346953800000
  0.130688670000
  0.012372521000
 -0.000126033580
 -0.000112220020
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CeQR(5I)-[Kr,4d]
End of Spectral Representation Operator

/Pr.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.31e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* PrQR6L PrQR6L-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: PrQR6L-[M]
* mv+dw from PrQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in PrQR6L PrQR6L-[M]
*            0.61*Bk(3d) rather than so-correct the basis set
*
 31.000000         4

   14    3
   1114650.860
   94318.00570
   14312.44280
   3007.620630
   776.8026710
   94.71179910
   56.07315760
   13.39142220
   2.729359220
   1.190113440
  0.5498446300
  0.2384534720
  0.4512108940E-01
  0.1952417950E-01
  0.000195010816 -0.000081739594 -0.000021135765
  0.001384043470 -0.000579957431 -0.000149964327
  0.007463373800 -0.003123951970 -0.000807790317
  0.031211681900 -0.013016317700 -0.003366241820
  0.076788009600 -0.031417425400 -0.008128836610
 -0.275820366000  0.113408655000  0.029448717900
 -0.207040115000  0.082448575700  0.021475923100
  1.149650190000 -0.536299140000 -0.142388045000
 -1.111869260000  0.935789379000  0.272610422000
 -0.234604065000  0.216775010000  0.058646390400
  0.009802199440 -0.900187274000 -0.335318792000
 -0.003663717480 -0.494162966000 -0.353071053000
  0.000524712667 -0.012931503700  0.706164524000
 -0.000329927773  0.002710776460  0.477543571000
   10    2
   2195.927580
   490.6943610
   149.2092410
   21.58604770
   8.548977160
   5.346076210
   2.347065630
  0.9753360310
  0.4227429550
  0.1661425990
  0.008842902820 -0.003155705290
  0.057811856400 -0.020758577000
  0.154638098000 -0.055192531300
 -0.477120062000  0.184594184000
 -0.364410831000  0.133587067000
  0.642692598000 -0.308765174000
  0.632810440000 -0.381646600000
  0.105587432000  0.241295994000
 -0.004992008430  0.681709440000
  0.001672486550  0.287675505000
   10    2
   590.1705370
   173.2204000
   64.17025630
   26.14447460
   5.272869460
   2.447366000
   1.109731250
  0.4227504270
  0.1451198410
  0.4683073850E-01
 -0.005378231730  0.001121703360
 -0.039405038300  0.007978127420
 -0.138427377000  0.029158452300
 -0.223059167000  0.043659465100
  0.427945849000 -0.109040266000
  0.487851717000 -0.114178988000
  0.187913662000  0.054004430900
  0.016127852400  0.351390337000
 -0.000661860529  0.503705939000
  0.000097549286  0.352669506000
    8    1
   103.2603890
   34.47112460
   13.55910450
   5.795499410
   2.504113070
   1.057821100
  0.4166220180
  0.1422467140
  0.006132926090
  0.040609118400
  0.138836928000
  0.281897078000
  0.366831610000
  0.332326962000
  0.215519662000
  0.089302910400
    3    1
 1.00200000D+01
 2.46000000D+00
 5.79000000D-01
 4.27384414D-01
 6.16509211D-01
 3.93157697D-01
*
* Core AIMP: PrQR6L PrQR6L-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   624180.8400
   144221.1800
   46576.68000
   16582.09400
   6344.876800
   2546.955500
   1007.040900
   403.4258100
   187.7272600
   59.12837700
   29.54490100
   15.00284800

  0.011604113226
  0.009704793548
  0.015641253226
  0.024858418710
  0.037447061290
  0.048816103226
  0.059323464516
  0.112073329032
  0.131861929032
  0.132010812903
  0.266153690323
  0.053730835484
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  3108.14520      508.132160      112.899240
   889600.0000
   110030.0000
   24130.00000
   7038.000000
   2447.000000
   958.2000000
   406.0000000
   164.9000000
   81.13000000
   40.48000000
   18.67000000
   9.710000000
   4.539000000
   2.329000000
   1.085000000
  0.002883949100  0.001044138800  0.000476019790
  0.012069064000  0.004464711500  0.002062617500
  0.041345970000  0.015534758000  0.007114977900
  0.117490910000  0.046261714000  0.021589075000
  0.261852490000  0.112270820000  0.052489359000
  0.391492540000  0.206885910000  0.101621300000
  0.294558210000  0.191440520000  0.096463850000
  0.057143173000 -0.204798640000 -0.139410320000
 -0.016305576000 -0.597206660000 -0.556566860000
 -0.000604972310 -0.343465100000 -0.351090660000
  0.000829133840 -0.035313408000  0.664163060000
  0.005882396600  0.005592467100  0.652851310000
 -0.001455280600 -0.001346781300  0.084683446000
 -0.001293853100 -0.000413719880 -0.002105121300
 -0.000360728690 -0.000284568690  0.000358315110
   12    2
  454.741340      95.5363010
   9882.000000
   2403.000000
   823.8000000
   333.7000000
   148.8000000
   70.43000000
   33.81000000
   17.00000000
   8.701000000
   4.314000000
   2.127000000
  0.9590000000
  0.003683061200  0.001805054100
  0.022686411000  0.011211363000
  0.088814054000  0.045274980000
  0.236150210000  0.126183800000
  0.394734650000  0.226035540000
  0.336213170000  0.152024880000
  0.100311150000 -0.264806770000
  0.000258080770 -0.572017460000
  0.000269492650 -0.284275540000
  0.000052596208 -0.031279547000
  0.001099552700 -0.000412780080
  0.000078057957  0.000098293933
   10    1
  43.2700000
   1075.000000
   338.6000000
   135.0000000
   60.23000000
   28.30000000
   13.79000000
   6.704000000
   3.225000000
   1.513000000
  0.6398000000
  0.003287671600
  0.023985163000
  0.098683906000
  0.257714340000
  0.406973070000
  0.329741350000
  0.098895688000
  0.005542819800
  0.000253159270
 -0.000140104560
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PrQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Nd.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.32e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* NdQR5K NdQR5K-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: NdQR5K-[M]
* mv+dw from NdQR(5K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in NdQR5K NdQR5K-[M]
*            0.75*Bk(3d) rather than so-correct the basis set
*
 32.000000         4

   14    3
   1257863.590
   104658.6050
   15603.05100
   3219.146410
   819.3078850
   97.51065560
   58.64861000
   13.97063140
   2.825827170
   1.186618770
  0.5650921250
  0.2581462310
  0.6087454180E-01
  0.2451748390E-01
  0.000190671587 -0.000082424504 -0.000022914428
  0.001349150770 -0.000583257506 -0.000162146340
  0.007311223630 -0.003154651700 -0.000877068431
  0.031094251800 -0.013395013600 -0.003724183890
  0.077363737500 -0.032579407300 -0.009065392750
 -0.285071411000  0.121006586000  0.033849446300
 -0.197461241000  0.080314582100  0.022409329800
  1.152980900000 -0.555371863000 -0.158691561000
 -1.149680070000  1.021549000000  0.321169788000
 -0.201047400000  0.133149613000  0.045258547800
  0.012865795000 -0.948689406000 -0.422750646000
 -0.004126468410 -0.423723956000 -0.339018321000
  0.000664692789 -0.009542663840  0.686692377000
 -0.000253302505  0.002164290910  0.536074853000
   10    2
   2290.832320
   511.1484850
   155.3567050
   22.55748230
   8.916464120
   5.697629240
   2.514416270
   1.072271140
  0.4719317640
  0.1885007230
  0.008946485010 -0.003322855080
  0.058468124300 -0.021853635800
  0.156551499000 -0.058153948400
 -0.482339864000  0.194690705000
 -0.380774706000  0.145676622000
  0.650185703000 -0.324930224000
  0.635847256000 -0.405924538000
  0.110927290000  0.241214406000
 -0.004180865180  0.703004352000
  0.001400789980  0.271697715000
   10    2
   616.5527580
   181.0009240
   67.13217050
   27.42227960
   5.585425150
   2.622624820
   1.218122840
  0.5154184250
  0.1991673270
  0.7064413810E-01
 -0.005426785570  0.001409082670
 -0.039784355700  0.010008792300
 -0.140018735000  0.036761886300
 -0.225527737000  0.054666449700
  0.428593732000 -0.140614562000
  0.483530869000 -0.137826405000
  0.186557329000  0.053267963000
  0.017767572800  0.393108971000
 -0.000016147195  0.509695209000
  0.000069399692  0.259636604000
    8    1
   104.0074230
   35.27970540
   14.18621780
   6.234970400
   2.799058660
   1.248923940
  0.5338035680
  0.2068849380
  0.007346244490
  0.046271413800
  0.150956781000
  0.294072676000
  0.368705682000
  0.315930682000
  0.180883931000
  0.052084631800
    3    1
 1.29200000D+01
 3.36000000D+00
 8.76000000D-01
 3.87891700D-01
 6.16395495D-01
 3.99479775D-01
*
* Core AIMP: NdQR5K NdQR5K-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   636200.8400
   142771.1800
   45120.68000
   15862.09400
   6048.276900
   2433.155500
   966.1808600
   397.6758100
   188.6472600
   59.68537700
   30.42690100
   15.56084800

  0.011447978438
  0.009870918438
  0.015999420000
  0.025380012813
  0.037661818750
  0.047816984375
  0.058609096875
  0.111249093750
  0.121833703125
  0.133421575000
  0.252477700000
  0.049231700000
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  3226.07360      530.619730      119.042960
   889800.0000
   109910.0000
   24090.00000
   7028.000000
   2445.000000
   960.2000000
   408.7000000
   166.0000000
   81.60000000
   40.83000000
   19.26000000
   10.04000000
   4.746000000
   2.445000000
   1.146000000
  0.003078823000  0.001119213500  0.000512273700
  0.012791041000  0.004758428100  0.002203691200
  0.043467667000  0.016416378000  0.007550956800
  0.122515090000  0.048615594000  0.022752211000
  0.269223760000  0.116448520000  0.054716288000
  0.392279050000  0.210305600000  0.103742760000
  0.284340170000  0.182725620000  0.092450553000
  0.051580982000 -0.230963700000 -0.160079460000
 -0.016401193000 -0.599667060000 -0.569425620000
 -0.000591492250 -0.320939270000 -0.321292940000
  0.001224365700 -0.029912860000  0.684605420000
  0.005916611200  0.004433717500  0.636458330000
 -0.001511860800 -0.000920149550  0.081411513000
 -0.001379055800 -0.000652548340 -0.001642069100
 -0.000361217840 -0.000248776260  0.000228599350
   12    2
  474.549430      100.890270
   9977.000000
   2411.000000
   822.3000000
   332.6000000
   148.6000000
   70.67000000
   34.13000000
   17.31000000
   8.914000000
   4.468000000
   2.230000000
   1.023000000
  0.003898075000  0.001920434700
  0.024151667000  0.011990838000
  0.094263845000  0.048363732000
  0.246422200000  0.132605020000
  0.398749920000  0.229907830000
  0.324201120000  0.138347380000
  0.091590487000 -0.285871530000
 -0.000484179930 -0.566909760000
  0.000181140010 -0.269595940000
  0.000175327910 -0.028691955000
  0.001097777200 -0.000467192310
  0.000088398678  0.000144112270
   10    1
  56.5800000
   1067.000000
   333.2000000
   133.6000000
   60.08000000
   28.54000000
   14.09000000
   6.955000000
   3.400000000
   1.624000000
  0.7065000000
  0.003702622600
  0.026637923000
  0.106211010000
  0.267006710000
  0.405333720000
  0.316146790000
  0.093375648000
  0.005521495600
  0.000179283180
 -0.000130554130
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NdQR(5K)-[Kr,4d]
End of Spectral Representation Operator

/Pm.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.33e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* PmQR6L PmQR6L-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: PmQR6L-[M]
* mv+dw from PmQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in PmQR6L PmQR6L-[M]
*            0.73*Bk(3d) rather than so-correct the basis set
*
 33.000000         4

   14    3
   1371315.870
   112844.0140
   16643.71100
   3389.675030
   855.9529920
   101.6100970
   61.53259300
   14.68760280
   3.012712300
   1.296796880
  0.6252103180
  0.2820488820
  0.6156686300E-01
  0.2486043580E-01
  0.000192203925 -0.000082873012 -0.000022749137
  0.001352118800 -0.000583455504 -0.000160160493
  0.007317928100 -0.003146139490 -0.000863682598
  0.031467468800 -0.013565284000 -0.003724004450
  0.077894149000 -0.032586186000 -0.008952266650
 -0.286194901000  0.120140945000  0.033146270900
 -0.200795527000  0.082978446000  0.022921229800
  1.158985650000 -0.557212175000 -0.157201638000
 -1.123528780000  0.983484713000  0.304441781000
 -0.230562849000  0.210196524000  0.070933650400
  0.014049740900 -0.921907711000 -0.392367496000
 -0.004723160690 -0.488973056000 -0.367836849000
  0.000762219713 -0.012194145100  0.685100555000
 -0.000306868456  0.003045558180  0.528527449000
   10    2
   2392.222990
   532.8017460
   161.7813430
   23.53189660
   9.486553060
   5.813730990
   2.602134200
   1.106797160
  0.4866338210
  0.1941413690
  0.008988622490 -0.003319995070
  0.058775285700 -0.021845021900
  0.157738088000 -0.058267872000
 -0.485681396000  0.194973226000
 -0.344517273000  0.129021223000
  0.631333462000 -0.317736387000
  0.624916190000 -0.394348413000
  0.106307848000  0.249445683000
 -0.004203650590  0.697199173000
  0.001380048070  0.269820426000
   10    2
   646.6957490
   189.7595010
   70.40534190
   28.79845130
   5.859606270
   2.737119460
   1.261214260
  0.5286119840
  0.2034780130
  0.7209829400E-01
 -0.005394640470  0.001398120920
 -0.039700208300  0.009961406640
 -0.140376314000  0.036789550500
 -0.227258938000  0.054945146400
  0.433069610000 -0.141949287000
  0.484789013000 -0.137461321000
  0.182097484000  0.061559260400
  0.016398540800  0.399606524000
  0.000045865321  0.505074871000
  0.000054197796  0.253927039000
    8    1
   113.8372700
   38.82271850
   15.74700290
   6.978499930
   3.149620980
   1.406608150
  0.6011471200
  0.2326909520
  0.006823760190
  0.043598079200
  0.143534763000
  0.286031754000
  0.367555280000
  0.322039594000
  0.188149606000
  0.056818178000
    3    1
 1.37700000D+01
 3.59000000D+00
 9.38000000D-01
 3.91033302D-01
 6.16519831D-01
 3.95190911D-01
*
* Core AIMP: PmQR6L PmQR6L-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   647940.8400
   143451.1800
   44932.68000
   15689.09400
   5966.076900
   2400.655500
   954.1608600
   398.2958100
   190.7272600
   60.30737700
   31.23690100
   16.06784800

  0.011269508485
  0.009844217879
  0.015997718788
  0.025415451515
  0.037346957576
  0.046721906061
  0.057931200000
  0.110210309091
  0.114010263636
  0.136021196970
  0.239197039394
  0.044519078788
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  3345.91620      552.961800      124.547740
   891600.0000
   110040.0000
   24070.00000
   7015.000000
   2443.000000
   961.1000000
   410.6000000
   166.7000000
   81.54000000
   40.76000000
   19.74000000
   10.28000000
   4.858000000
   2.501000000
   1.169000000
  0.003279626100  0.001197407400  0.000550294750
  0.013516443000  0.005055373700  0.002346109200
  0.045712222000  0.017359643000  0.008020580700
  0.127649410000  0.051038055000  0.023944397000
  0.276609370000  0.120743760000  0.057037001000
  0.393245700000  0.213835450000  0.105871060000
  0.273646070000  0.173185910000  0.088041611000
  0.045936699000 -0.260474360000 -0.184180240000
 -0.016467698000 -0.603859010000 -0.584999050000
 -0.000460249490 -0.293972830000 -0.282997130000
  0.001700741700 -0.023267478000  0.713089660000
  0.005857671000  0.003138603600  0.614562790000
 -0.001627632600 -0.000525640770  0.073760525000
 -0.001423435300 -0.000869059100 -0.001422430100
 -0.000339224210 -0.000199087340  0.000154442580
   12    2
  494.086930      105.575890
   9992.000000
   2413.000000
   822.5000000
   332.4000000
   148.7000000
   70.92000000
   34.35000000
   17.49000000
   9.019000000
   4.560000000
   2.284000000
   1.048000000
  0.004166039200  0.002062161800
  0.025641301000  0.012792707000
  0.099434604000  0.051326072000
  0.256129250000  0.138798560000
  0.402409530000  0.233384800000
  0.313068680000  0.124423140000
  0.083117745000 -0.310548940000
 -0.001271525000 -0.563588230000
  0.000137160870 -0.250206600000
  0.000318203010 -0.024532132000
  0.001077087400 -0.000597365990
  0.000090864971  0.000177180930
   10    1
  55.4900000
   1061.000000
   332.4000000
   133.7000000
   60.41000000
   28.86000000
   14.33000000
   7.106000000
   3.488000000
   1.671000000
  0.7273000000
  0.004067083300
  0.028797547000
  0.112552600000
  0.275443040000
  0.406125620000
  0.304924600000
  0.086420261000
  0.004845891300
  0.000188737120
 -0.000112039900
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PmQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Sm.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.34e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* SmQR7K SmQR7K-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: SmQR7K-[M]
* mv+dw from SmQR(7K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in SmQR7K SmQR7K-[M]
*            1.00*Bk(3d) rather than so-correct the basis set
*
 34.000000         4

   14    3
   1525103.370
   123815.6070
   17990.08140
   3575.709030
   891.5815910
   105.0367100
   59.92357810
   15.39902930
   3.162020710
   1.375986930
  0.6500403450
  0.2921790620
  0.6296317640E-01
  0.2533606800E-01
  0.000189495050 -0.000081255311 -0.000022079905
  0.001326456370 -0.000570080411 -0.000154902438
  0.007206666190 -0.003074754370 -0.000835618573
  0.031930844000 -0.013790957700 -0.003747022900
  0.077652502200 -0.032085600600 -0.008727746990
 -0.304475915000  0.128055068000  0.035014427900
 -0.193228003000  0.077512069800  0.021112135700
  1.172672030000 -0.558814625000 -0.155908456000
 -1.120768310000  0.973767680000  0.297679528000
 -0.232481244000  0.210254450000  0.070118759300
  0.011017702600 -0.914024545000 -0.383049064000
 -0.004035551240 -0.490140689000 -0.365432253000
  0.000627694171 -0.012132572700  0.682072538000
 -0.000253658467  0.003048686840  0.528337175000
   10    2
   2493.432650
   554.7650150
   168.3375350
   24.53901010
   10.07190700
   5.961444730
   2.699128410
   1.148812280
  0.5029739180
  0.2000663620
  0.009044274170 -0.003321955770
  0.059094485700 -0.021839307400
  0.158879571000 -0.058361319300
 -0.488469298000  0.195035537000
 -0.318620112000  0.116777162000
  0.618860976000 -0.312332230000
  0.615642630000 -0.384780211000
  0.103315101000  0.253257184000
 -0.004019683030  0.694102828000
  0.001330871930  0.269200233000
   10    2
   679.8549090
   199.0504250
   73.73091750
   30.15909520
   6.183186230
   2.907652670
   1.343985040
  0.5477500380
  0.2078519240
  0.7315196830E-01
 -0.005323733190  0.001361519570
 -0.039487010400  0.009770342210
 -0.140791438000  0.036414768100
 -0.228302407000  0.054410628400
  0.429095295000 -0.139122337000
  0.482786234000 -0.136998622000
  0.188017827000  0.060429192700
  0.017257020000  0.405028174000
 -0.000184821661  0.505428914000
  0.000151057202  0.251700957000
    8    1
   125.3808950
   42.55411260
   17.16012220
   7.559412220
   3.401303240
   1.519734960
  0.6510082260
  0.2523234950
  0.006248340710
  0.041627166500
  0.141334480000
  0.286717800000
  0.368363550000
  0.321954965000
  0.189205691000
  0.058257831000
    3    1
 1.47700000D+01
 3.86000000D+00
 1.00700000D+00
 3.89980786D-01
 6.16798462D-01
 3.95646197D-01
*
* Core AIMP: SmQR7K SmQR7K-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   557550.8400
   126121.1800
   40671.68000
   14495.09400
   5597.176800
   2278.455500
   915.0808600
   392.6658100
   190.8072500
   60.56937700
   31.88590100
   16.50784800

  0.012019316176
  0.010154995882
  0.016339904706
  0.025774061471
  0.037212067647
  0.045401250000
  0.057646611765
  0.109286100000
  0.104865105882
  0.140462258824
  0.224911861765
  0.039455879412
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  3468.34220      575.857460      130.180830
   891200.0000
   110050.0000
   23960.00000
   6965.000000
   2424.000000
   954.9000000
   409.5000000
   166.4000000
   80.82000000
   40.09000000
   20.03000000
   10.46000000
   4.996000000
   2.568000000
   1.198000000
  0.003491865100  0.001280289000  0.000590503150
  0.014309798000  0.005382006100  0.002503547400
  0.048271622000  0.018432400000  0.008550198600
  0.133772710000  0.053920236000  0.025365948000
  0.285614170000  0.125927970000  0.059784010000
  0.394118570000  0.217891450000  0.108353440000
  0.260678080000  0.160895700000  0.081991108000
  0.039334197000 -0.295348280000 -0.213022140000
 -0.016196652000 -0.607934160000 -0.603094640000
 -0.000373492630 -0.262771390000 -0.230929500000
  0.002345098100 -0.014572280000  0.746520270000
  0.005674103400  0.001404998700  0.581266190000
 -0.001720001600  0.000028128583  0.066430337000
 -0.001484407500 -0.001147087100 -0.000967081770
 -0.000320323800 -0.000140493400  0.000073385994
   12    2
  514.038270      110.354620
   9965.000000
   2404.000000
   820.2000000
   331.9000000
   148.7000000
   71.03000000
   34.39000000
   17.57000000
   9.066000000
   4.631000000
   2.334000000
   1.075000000
  0.004477788300  0.002227975300
  0.027377173000  0.013719008000
  0.104925480000  0.054508887000
  0.265667600000  0.144905650000
  0.405778540000  0.236731090000
  0.301920210000  0.108578980000
  0.074568187000 -0.338589310000
 -0.002182601500 -0.557630340000
  0.000202213590 -0.228568100000
  0.000422020210 -0.020199887000
  0.001065643000 -0.000740058220
  0.000089891633  0.000211262610
   10    1
  83.1736370
   1074.000000
   334.7000000
   134.3000000
   60.71000000
   29.13000000
   14.54000000
   7.239000000
   3.566000000
   1.712000000
  0.7449000000
  0.004336376300
  0.030728060000
  0.119156550000
  0.284740340000
  0.406582360000
  0.293239300000
  0.079502008000
  0.004198699200
  0.000193554490
 -0.000094795009
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SmQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Eu.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.35e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* EuQR10D EuQR10D-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: EuQR10D-[M]
* mv+dw from EuQR(10D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in EuQR10D EuQR10D-[M]
*            1.0*Bk(3d) rather than so-correct the basis set
*
 35.000000         4

   14    3
   1707217.810
   136732.8940
   19556.57340
   3764.239740
   926.4421420
   109.7349880
   63.03800310
   16.08284520
   3.304884480
   1.450783480
  0.6437962390
  0.2767481830
  0.5185929460E-01
  0.2210494290E-01
  0.000184574567 -0.000076033538 -0.000019923165
  0.001284580150 -0.000531881384 -0.000139362413
  0.007019475360 -0.002865262610 -0.000750865799
  0.032503119800 -0.013671172900 -0.003581667740
  0.076373802100 -0.029892095900 -0.007838953300
 -0.299759048000  0.120957384000  0.031820833500
 -0.197157919000  0.076817366200  0.020282886000
  1.169974560000 -0.536218950000 -0.144208003000
 -1.111122550000  0.916661871000  0.270128769000
 -0.238371820000  0.204369043000  0.053894167400
  0.007227274630 -0.878854112000 -0.331756144000
 -0.003108462000 -0.490539457000 -0.342994333000
  0.000380609177 -0.016158584500  0.696999350000
 -0.000337861988  0.000742417246  0.481990725000
   10    2
   2607.867010
   578.8269570
   175.2802910
   25.53809990
   10.59786290
   6.087033360
   2.759780520
   1.156711790
  0.4937276300
  0.1917685840
  0.009019078930 -0.003155340760
  0.059061365800 -0.020784418000
  0.159508347000 -0.055804874400
 -0.490737179000  0.186207219000
 -0.296025651000  0.101500725000
  0.616133944000 -0.296012444000
  0.604705536000 -0.353192124000
  0.098064522100  0.244189784000
 -0.003969887170  0.672485867000
  0.001423342800  0.293822358000
   10    2
   705.3968220
   206.9463760
   76.88279110
   31.55540880
   6.451386370
   2.989619360
   1.338807070
  0.4743186400
  0.1508267570
  0.4531105250E-01
 -0.005347225150  0.000946551347
 -0.039469371700  0.006755652970
 -0.140407888000  0.025128308600
 -0.227745428000  0.037588450100
  0.433270183000 -0.094371547000
  0.487346269000 -0.098542263900
  0.185705491000  0.054552612200
  0.014379934500  0.328640471000
 -0.000684005303  0.497635383000
  0.000233032017  0.409233526000
    8    1
   133.9258010
   45.47987550
   18.37375210
   8.084554960
   3.605604230
   1.573171120
  0.6414595250
  0.2270915710
  0.005820490490
  0.039274455000
  0.134508737000
  0.276720021000
  0.362901918000
  0.331265231000
  0.211944590000
  0.081760104600
    3    1
 1.42100000D+01
 3.61000000D+00
 8.87000000D-01
 4.13926285D-01
 6.17057922D-01
 3.89928602D-01
*
* Core AIMP: EuQR10D EuQR10D-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   573670.8400
   128981.1800
   41386.68000
   14691.09400
   5648.776900
   2285.855500
   912.1108600
   393.6958100
   192.2272600
   61.29837700
   32.62290100
   16.95584800

  0.011765051429
  0.010003247714
  0.016130855714
  0.025468215429
  0.036743854286
  0.044637914286
  0.057653397143
  0.108635422857
  0.097686657143
  0.143673431429
  0.212404697143
  0.035197257143
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  3592.72120      598.600970      135.155860
   891000.0000
   110090.0000
   23940.00000
   6941.000000
   2411.000000
   949.9000000
   408.7000000
   166.6000000
   80.32000000
   39.30000000
   20.23000000
   10.58000000
   5.090000000
   2.602000000
   1.205000000
  0.003719733800  0.001369911000  0.000634089760
  0.015102260000  0.005711272200  0.002662565100
  0.050689163000  0.019464787000  0.009064732800
  0.139704900000  0.056751005000  0.026765463000
  0.294435020000  0.131117380000  0.062560331000
  0.394640550000  0.221622880000  0.110649130000
  0.247862970000  0.147997860000  0.075524688000
  0.033377714000 -0.327786170000 -0.241028100000
 -0.015810216000 -0.610169020000 -0.618151170000
 -0.000331258140 -0.234775210000 -0.176082170000
  0.003074461200 -0.005910727000  0.779247900000
  0.005386972300 -0.000334540310  0.544085700000
 -0.001821976700  0.000539310990  0.057692077000
 -0.001521883800 -0.001391680100 -0.000520231600
 -0.000295270790 -0.000081111458  0.000028350370
   12    2
  533.698530      114.442260
   10023.00000
   2416.000000
   822.8000000
   332.1000000
   148.6000000
   71.04000000
   34.53000000
   17.67000000
   9.088000000
   4.623000000
   2.311000000
   1.042000000
  0.004742266500  0.002368951100
  0.028851966000  0.014530204000
  0.110141920000  0.057527936000
  0.275778470000  0.151483210000
  0.409521330000  0.239831040000
  0.289713470000  0.091880728000
  0.066224631000 -0.364555620000
 -0.002453969100 -0.551350250000
  0.000051846453 -0.208568790000
  0.000668482110 -0.015919691000
  0.000983834500 -0.000735031560
  0.000085487918  0.000195635480
   10    1
  86.3742300
   1069.000000
   333.6000000
   133.9000000
   60.48000000
   28.98000000
   14.43000000
   7.136000000
   3.491000000
   1.658000000
  0.7014000000
  0.004745612500
  0.033231810000
  0.127163000000
  0.297767370000
  0.410799510000
  0.277559400000
  0.067801417000
  0.002850295800
  0.000242274230
 -0.000064004437
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EuQR(10D)-[Kr,4d]
End of Spectral Representation Operator

/Gd.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.36e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* GdQR9D GdQR9D-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: GdQR9D-[M]
* mv+dw from GdQR(9D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in GdQR9D GdQR9D-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
*
 36.000000         4

   14    3
   1849164.840
   146530.8300
   20725.79130
   3950.628560
   967.0666410
   113.9408340
   65.51861920
   16.79689500
   3.467246110
   1.518909540
  0.7035414390
  0.3145800820
  0.6646926340E-01
  0.2658572220E-01
  0.000186781577 -0.000079210324 -0.000021265080
  0.001293861850 -0.000551531805 -0.000148053046
  0.007058229230 -0.002965293440 -0.000796208877
  0.032744101600 -0.014186257600 -0.003807309340
  0.076831190500 -0.030902584900 -0.008306007810
 -0.303094657000  0.125697921000  0.033948586900
 -0.197348636000  0.079054435300  0.021272122400
  1.177105580000 -0.555726929000 -0.153051720000
 -1.115796350000  0.955283679000  0.287246113000
 -0.238206315000  0.215971270000  0.071498453300
  0.009625663260 -0.899311706000 -0.368956089000
 -0.003825655200 -0.497678945000 -0.365477163000
  0.000602473322 -0.012887387800  0.675935821000
 -0.000245970865  0.003314637580  0.530261416000
   10    2
   2714.215990
   601.6107930
   182.1143580
   26.58340030
   11.06173370
   6.354034370
   2.905331270
   1.241255130
  0.5393422360
  0.2133157950
  0.009105313340 -0.003307007100
  0.059556194800 -0.021760128100
  0.160955639000 -0.058457444000
 -0.495436307000  0.195493865000
 -0.293714344000  0.104030851000
  0.616642036000 -0.309312388000
  0.601443883000 -0.369535753000
  0.099166960900  0.254046532000
 -0.003496323240  0.689506466000
  0.001204061540  0.272272957000
   10    2
   738.8331220
   216.5901760
   80.42697000
   33.01818380
   6.781190770
   3.176812250
   1.462777850
  0.5928350840
  0.2200443980
  0.7467695830E-01
 -0.005320618730  0.001265576670
 -0.039434200600  0.009066464410
 -0.141212725000  0.033976093300
 -0.230018473000  0.050929703500
  0.433509358000 -0.130486499000
  0.481818151000 -0.125797527000
  0.185547723000  0.053947701000
  0.016804238900  0.378817333000
 -0.000125558910  0.510873472000
  0.000142827420  0.289029873000
    8    1
   155.0570480
   52.85551790
   21.57476660
   9.617699120
   4.383364160
   1.972736080
  0.8433109770
  0.3221391600
  0.004895652490
  0.034466613700
  0.121937696000
  0.263773368000
  0.360614755000
  0.338326459000
  0.213802807000
  0.072322780100
    3    1
 1.67400000D+01
 4.40000000D+00
 1.15200000D+00
 3.90243441D-01
 6.16542392D-01
 3.93723313D-01
*
* Core AIMP: GdQR9D GdQR9D-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   592200.8400
   131991.1800
   42068.68000
   14841.09400
   5671.676800
   2277.155500
   901.3608600
   392.0658100
   192.2172500
   61.92937700
   33.31690100
   17.42184800

  0.011510256389
  0.009871862778
  0.015967951667
  0.025274353333
  0.036420916667
  0.044059411111
  0.058092972222
  0.108247300000
  0.090079394444
  0.147093791667
  0.199752697222
  0.031406866667
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  3721.06090      623.330850      141.823830
   890299.9800
   110156.6600
   23906.41000
   6913.035400
   2397.249100
   944.9089500
   407.7837200
   166.8346200
   79.98913300
   38.86782000
   20.21366400
   10.58465400
   5.103701800
   2.613428300
   1.205000000
  0.003958630200  0.001464468900  0.000679815200
  0.015932597000  0.006057324300  0.002831333600
  0.053230954000  0.020558700000  0.009604360100
  0.145839830000  0.059697335000  0.028241118000
  0.303106970000  0.136354680000  0.065326405000
  0.394438210000  0.224873380000  0.112814260000
  0.235122440000  0.134224160000  0.068174402000
  0.027838709000 -0.359423250000 -0.268565820000
 -0.015371385000 -0.606302360000 -0.628333790000
 -0.000309317140 -0.209560810000 -0.112808620000
  0.003947715200 -0.001405612700  0.810457780000
  0.004968699300 -0.000505594860  0.497474020000
 -0.002005769600  0.000353965270  0.047394804000
 -0.001521381800 -0.001360200300 -0.000405552240
 -0.000247452960 -0.000065744157 -0.000057793915
   12    2
  555.175970      120.176280
   9953.790300
   2404.182600
   819.8989600
   331.6123200
   148.6751000
   71.10496900
   34.41708300
   17.60604700
   9.014586600
   4.638785300
   2.348061200
   1.077600000
  0.005104906300  0.002563213600
  0.030768075000  0.015556164000
  0.116001090000  0.060971895000
  0.284917510000  0.157422720000
  0.411459590000  0.242095430000
  0.278745540000  0.073572325000
  0.058542231000 -0.395691290000
 -0.003213871700 -0.541341230000
  0.000212167280 -0.184742400000
  0.000755127270 -0.011532018000
  0.000961857800 -0.000884398080
  0.000077283528  0.000254026300
   10    1
  273.530000
   1080.357400
   335.7336500
   134.5175500
   60.72932900
   29.14513700
   14.56861500
   7.280210700
   3.601282000
   1.735330000
  0.7540700000
  0.005051513200
  0.035347694000
  0.134032220000
  0.307711640000
  0.411114330000
  0.263823450000
  0.061499114000
  0.002717858100
  0.000136448540
 -0.000050966711
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GdQR(9D)-[Kr,4d]
End of Spectral Representation Operator

/Tb.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.37e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* TbQR8H TbQR8H-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: TbQR8H-[M]
* mv+dw from TbQR(8H)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in TbQR8H TbQR8H-[M]
*            1.2*Bk(3d) rather than so-correct the basis set
*
 37.000000         4

   14    3
   2006713.520
   157280.4110
   21986.67350
   4148.311360
   1009.791860
   117.9353730
   67.52507570
   17.53728540
   3.628268010
   1.598927980
  0.7326603620
  0.3271111970
  0.6871185940E-01
  0.2736743960E-01
  0.000188192604 -0.000079807779 -0.000021356045
  0.001298050080 -0.000553361276 -0.000148063503
  0.007070940640 -0.002969609150 -0.000794778675
  0.032878557200 -0.014256509300 -0.003813806780
  0.077045074000 -0.030923414000 -0.008284367570
 -0.308986826000  0.127923899000  0.034436326600
 -0.194084617000  0.077427104600  0.020758530900
  1.180679340000 -0.556050452000 -0.152587945000
 -1.113033000000  0.950073565000  0.284281333000
 -0.240884928000  0.215901828000  0.071528560500
  0.008458984140 -0.892740541000 -0.364561481000
 -0.003616303100 -0.500180220000 -0.365401244000
  0.000569085818 -0.013073546400  0.675606175000
 -0.000232955879  0.003346527440  0.529583221000
   10    2
   2829.490300
   625.6498380
   189.1985630
   27.63358990
   11.44818180
   6.599620950
   3.005280180
   1.262696990
  0.5498045440
  0.2175432240
  0.009140249380 -0.003308511030
  0.059820556600 -0.021782848800
  0.161922615000 -0.058604242700
 -0.499527339000  0.196259981000
 -0.292473957000  0.103293861000
  0.626016954000 -0.313938382000
  0.598703413000 -0.362753324000
  0.094890324300  0.268709553000
 -0.004307780150  0.683340190000
  0.001342247520  0.263706510000
   10    2
   767.2186570
   224.9926170
   83.66843760
   34.44017980
   7.103742530
   3.324052250
   1.521215030
  0.5961074120
  0.2157345070
  0.7164967390E-01
 -0.005359435930  0.001204540490
 -0.039688623900  0.008615637240
 -0.141948680000  0.032275867100
 -0.231056202000  0.048275807300
  0.433791816000 -0.122450332000
  0.483089426000 -0.119739377000
  0.185175614000  0.053819153900
  0.015909599700  0.373446435000
 -0.000380265687  0.511551277000
  0.000161752271  0.302991525000
    8    1
   161.4284500
   55.10137030
   22.53290920
   10.04408000
   4.559173500
   2.035184430
  0.8606231210
  0.3256773980
  0.004975429570
  0.035007505200
  0.123746972000
  0.266709364000
  0.362450560000
  0.337647217000
  0.212085940000
  0.071755290000
    3    1
 1.74500000D+01
 4.57000000D+00
 1.18600000D+00
 3.95601406D-01
 6.16349388D-01
 3.91351163D-01
*
* Core AIMP: TbQR8H TbQR8H-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   613210.8400
   135901.1800
   43129.68000
   15155.09400
   5761.476900
   2293.955500
   898.6308600
   391.7458100
   191.8072500
   62.54237700
   33.93190100
   17.82484800

  0.011241442973
  0.009696172162
  0.015708778108
  0.024914074054
  0.035951510811
  0.043512581081
  0.058610275676
  0.108059616216
  0.083196359459
  0.151010181081
  0.187256043243
  0.027599724324
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  3851.48790      647.999910      147.918360
   891600.0000
   110180.0000
   24010.00000
   6982.000000
   2431.000000
   959.0000000
   413.9000000
   169.8000000
   80.86000000
   38.41000000
   20.52000000
   10.76000000
   5.240000000
   2.682000000
   1.234000000
  0.004213525300  0.001566104600  0.000729479300
  0.016774998000  0.006411154100  0.003002307200
  0.055233729000  0.021454818000  0.010061169000
  0.149149940000  0.061470350000  0.029140045000
  0.306707930000  0.138970360000  0.066878266000
  0.394189390000  0.226547100000  0.113885390000
  0.228720360000  0.126210630000  0.064200183000
  0.024778828000 -0.377438370000 -0.286290120000
 -0.015226310000 -0.608106900000 -0.635800370000
 -0.000284138020 -0.194358410000 -0.070289318000
  0.004563371900  0.006198714200  0.826561780000
  0.004747980500 -0.002462915800  0.468558310000
 -0.002108597100  0.001008275000  0.042129923000
 -0.001561407200 -0.001655880000 -0.000065435415
 -0.000233949540 -0.000004944772 -0.000115548390
   12    2
  576.437950      125.299510
   10031.00000
   2413.000000
   821.6000000
   331.9000000
   148.7000000
   71.11000000
   34.45000000
   17.63000000
   8.989000000
   4.635000000
   2.352000000
   1.080000000
  0.005395656100  0.002720354500
  0.032458711000  0.016483247000
  0.121517710000  0.064218958000
  0.294478950000  0.163731380000
  0.413708050000  0.244046400000
  0.266822610000  0.054551381000
  0.051297003000 -0.422324540000
 -0.003405470200 -0.529479370000
  0.000188600090 -0.165239160000
  0.000933325780 -0.008362895900
  0.000894204090 -0.000903830480
  0.000074140463  0.000259890990
   10    1
  114.420000
   1080.000000
   335.9000000
   134.5000000
   60.69000000
   29.14000000
   14.56000000
   7.274000000
   3.601000000
   1.737000000
  0.7550000000
  0.005461326600
  0.037864000000
  0.141987930000
  0.318951520000
  0.411733010000
  0.249190160000
  0.053422051000
  0.002135958800
  0.000106789550
 -0.000030283175
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TbQR(8H)-[Kr,4d]
End of Spectral Representation Operator

/Dy.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.38e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* DyQR7K DyQR7K-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: DyQR7K-[M]
* mv+dw from DyQR(7K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in DyQR7K DyQR7K-[M]
*            1.3*Bk(3d) rather than so-correct the basis set
*
 38.000000         4

   14    3
   2178492.620
   168922.3740
   23336.62260
   4352.928170
   1053.517160
   122.1570710
   69.79250270
   18.28585540
   3.799198720
   1.698832470
  0.7584999180
  0.3380262320
  0.7063713140E-01
  0.2805385770E-01
  0.000189407163 -0.000080239212 -0.000021341521
  0.001300798510 -0.000554091227 -0.000147361922
  0.007076154190 -0.002967002520 -0.000789270053
  0.033044482600 -0.014337593800 -0.003812302250
  0.077118369600 -0.030827725100 -0.008208450220
 -0.313374149000  0.129385641000  0.034617495500
 -0.191634441000  0.076151448200  0.020284867600
  1.183892900000 -0.555939652000 -0.151578173000
 -1.106796260000  0.941063833000  0.279341643000
 -0.245901462000  0.215872497000  0.071105840300
  0.005422166550 -0.887365719000 -0.359847049000
 -0.002967216660 -0.498208453000 -0.362271346000
  0.000451628872 -0.013028029700  0.673244861000
 -0.000185611483  0.003325422090  0.530182264000
   10    2
   2942.286860
   649.6228830
   196.3639930
   28.73740260
   12.16973950
   6.672265240
   3.055507480
   1.245685350
  0.5453222820
  0.2165886670
  0.009197080120 -0.003315305490
  0.060121260700 -0.021800340800
  0.162802117000 -0.058673833300
 -0.501616857000  0.196167241000
 -0.265613615000  0.092203470800
  0.624998741000 -0.318327377000
  0.584672539000 -0.344594644000
  0.085142650000  0.303908815000
 -0.005544726910  0.669222607000
  0.001535946290  0.242636878000
   10    2
   802.6833570
   235.1455720
   87.38858390
   35.97623810
   7.420861010
   3.468116490
   1.582043070
  0.6104566370
  0.2181003860
  0.7147535470E-01
 -0.005308381250  0.001155565410
 -0.039487707700  0.008297511150
 -0.142096254000  0.031292647000
 -0.232318088000  0.046990589300
  0.435389358000 -0.118739256000
  0.482994851000 -0.116138627000
  0.184270064000  0.053906384400
  0.015461472100  0.369102199000
 -0.000434403809  0.511536995000
  0.000172467480  0.312645953000
    8    1
   171.1992430
   58.43012510
   23.91245710
   10.67139630
   4.849432980
   2.161592380
  0.9106981350
  0.3418584770
  0.004841172030
  0.034467817500
  0.122796496000
  0.265300370000
  0.361072986000
  0.338220254000
  0.215273618000
  0.075092669300
    3    1
 1.83500000D+01
 4.80000000D+00
 1.23700000D+00
 3.97116315D-01
 6.16157552D-01
 3.91880643D-01
*
* Core AIMP: DyQR7K DyQR7K-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   550570.8400
   125541.1800
   40741.68000
   14581.09400
   5614.976900
   2245.855500
   879.6108600
   388.0158100
   190.0872500
   63.26837700
   34.55990100
   18.21884800

  0.011701427895
  0.009832500000
  0.015780547895
  0.024804865526
  0.035422668421
  0.042648342105
  0.059407344737
  0.107354231579
  0.075834971053
  0.154252592105
  0.175566142105
  0.024236470000
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  3984.62090      673.246620      154.136390
   891600.0000
   110250.0000
   24130.00000
   7034.000000
   2449.000000
   965.1000000
   416.5000000
   171.8000000
   81.38000000
   37.89000000
   20.57000000
   10.78000000
   5.340000000
   2.731000000
   1.252000000
  0.004484424100  0.001674702900  0.000782529110
  0.017630028000  0.006773534800  0.003178136000
  0.057298902000  0.022385895000  0.010535134000
  0.153388630000  0.063655547000  0.030240235000
  0.312489940000  0.142767420000  0.069008490000
  0.394143100000  0.228825690000  0.115327490000
  0.219622830000  0.115051600000  0.058350419000
  0.020802114000 -0.399377560000 -0.307634520000
 -0.014822743000 -0.605155090000 -0.639978240000
 -0.000299647300 -0.177877100000 -0.012943027000
  0.005396751100  0.012186529000  0.843697870000
  0.004304525900 -0.003879988300  0.427024890000
 -0.002216551600  0.001426641300  0.034438548000
 -0.001590662600 -0.001839915100  0.000577392880
 -0.000211434310  0.000037931816 -0.000221355800
   12    2
  598.108180      130.503480
   10125.00000
   2429.000000
   824.7000000
   332.5000000
   148.9000000
   71.25000000
   34.71000000
   17.83000000
   9.111000000
   4.712000000
   2.398000000
   1.100000000
  0.005674145700  0.002870495000
  0.034076300000  0.017385704000
  0.127062230000  0.067474367000
  0.303769160000  0.170000700000
  0.414963930000  0.244949010000
  0.254951010000  0.036318185000
  0.045063652000 -0.441486950000
 -0.003233546000 -0.516297440000
  0.000027588824 -0.152502380000
  0.001135703700 -0.007043563200
  0.000833021940 -0.000818771520
  0.000083059503  0.000241994470
   10    1
  129.459000
   1079.000000
   336.1000000
   134.6000000
   60.69000000
   29.14000000
   14.55000000
   7.267000000
   3.600000000
   1.738000000
  0.7537000000
  0.005902211500
  0.040447831000
  0.149922160000
  0.330018090000
  0.411380690000
  0.234611920000
  0.046251725000
  0.001699181600
  0.000079595109
 -0.000012847888
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
DyQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Ho.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.39e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* HoQR6L HoQR6L-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: HoQR6L-[M]
* mv+dw from HoQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in HoQR6L HoQR6L-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
*
 39.000000         4

   14    3
   2358917.810
   181111.6090
   24736.96270
   4557.212670
   1096.812780
   126.9185650
   72.52440760
   19.05717310
   3.967489990
   1.786601140
  0.7856144930
  0.3492047700
  0.7251997330E-01
  0.2867421380E-01
  0.000190734278 -0.000080628682 -0.000021281188
  0.001303604940 -0.000554324882 -0.000146296976
  0.007081625490 -0.002960472200 -0.000781516206
  0.033278798700 -0.014446340500 -0.003811786560
  0.077014384800 -0.030590861100 -0.008083264260
 -0.313937502000  0.129133911000  0.034285442100
 -0.192718265000  0.076345183400  0.020177681200
  1.186200040000 -0.555022951000 -0.150124367000
 -1.103651900000  0.934076579000  0.274714239000
 -0.248340142000  0.215063403000  0.070089055900
  0.003647519550 -0.881945792000 -0.353425126000
 -0.002527656650 -0.498204987000 -0.360358234000
  0.000364740337 -0.013033417800  0.668559372000
 -0.000149784930  0.003337345390  0.532987903000
   10    2
   3072.941100
   676.5853570
   204.0864930
   29.75378070
   11.88974750
   7.253313010
   3.245354410
   1.342090180
  0.5814882980
  0.2292386320
  0.009192029180 -0.003297830500
  0.060208628600 -0.021730060800
  0.163752992000 -0.058728196600
 -0.509617808000  0.197944337000
 -0.317778507000  0.112443281000
  0.662589548000 -0.325363042000
  0.599243886000 -0.356668552000
  0.091682105100  0.277990621000
 -0.004818932870  0.676717589000
  0.001440588050  0.260128012000
   10    2
   836.4774160
   245.0327380
   91.10422260
   37.54005570
   7.738692780
   3.610012400
   1.643782020
  0.6330940300
  0.2247183250
  0.7288682130E-01
 -0.005284486030  0.001128349030
 -0.039351506200  0.008106295510
 -0.142119208000  0.030700997900
 -0.233092758000  0.046223281400
  0.437793292000 -0.117227984000
  0.482398526000 -0.113507037000
  0.182855885000  0.053341497900
  0.015238431000  0.364015107000
 -0.000364508666  0.512062025000
  0.000168743451  0.320800885000
    8    1
   179.0595320
   61.11407210
   25.01472270
   11.15417120
   5.060158240
   2.252777750
  0.9474877320
  0.3542607170
  0.004848714220
  0.034707369500
  0.124107096000
  0.267664488000
  0.361499447000
  0.336049731000
  0.214451034000
  0.075901779200
    3    1
 1.92500000D+01
 5.03000000D+00
 1.28900000D+00
 3.99019867D-01
 6.16103742D-01
 3.91477776D-01
*
* Core AIMP: HoQR6L HoQR6L-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   567620.8400
   128451.1800
   41444.68000
   14775.09400
   5676.276900
   2265.355500
   884.1708600
   390.3058100
   189.5872500
   64.06037700
   35.11090100
   18.53784800

  0.011469883846
  0.009713217692
  0.015617336410
  0.024531812051
  0.034870884615
  0.041821738462
  0.059585376923
  0.106716576923
  0.070630794872
  0.157762910256
  0.164335082051
  0.020893105897
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  4120.50610      699.090760      160.490050
   890900.0000
   110700.0000
   24320.00000
   7104.000000
   2478.000000
   978.2000000
   423.4000000
   175.2000000
   82.90000000
   38.20000000
   20.96000000
   10.99000000
   5.532000000
   2.831000000
   1.299000000
  0.004762638800  0.001787065700  0.000837474620
  0.018446973000  0.007124786700  0.003349592800
  0.059305388000  0.023303040000  0.011002910000
  0.157161810000  0.065665881000  0.031263247000
  0.316472060000  0.145660990000  0.070687500000
  0.392457890000  0.229657150000  0.116012550000
  0.213117750000  0.106259670000  0.053647568000
  0.018762919000 -0.412609060000 -0.321727830000
 -0.015040889000 -0.600898660000 -0.639523230000
 -0.000043639612 -0.168944790000  0.021806194000
  0.005744114100  0.015407393000  0.848348930000
  0.004240101200 -0.004694155400  0.405092940000
 -0.002350289200  0.001700553800  0.030643314000
 -0.001628455200 -0.001976930600  0.001077634000
 -0.000215800800  0.000055150772 -0.000298866370
   12    2
  620.198070      135.798140
   10211.00000
   2453.000000
   834.6000000
   337.5000000
   151.5000000
   72.59000000
   35.42000000
   18.20000000
   9.271000000
   4.797000000
   2.443000000
   1.119000000
  0.005956449900  0.003024352200
  0.035447553000  0.018161484000
  0.130614890000  0.069682616000
  0.308005620000  0.173222780000
  0.414405040000  0.244980800000
  0.249077250000  0.026387621000
  0.042092649000 -0.453280090000
 -0.003308642500 -0.509567080000
  0.000029305268 -0.143898330000
  0.001244092900 -0.005697638400
  0.000810749480 -0.000842297510
  0.000082754445  0.000247155590
   10    1
  311.640000
   1080.000000
   336.2000000
   134.6000000
   60.66000000
   29.13000000
   14.53000000
   7.283000000
   3.621000000
   1.753000000
  0.7590000000
  0.006360234600
  0.043213489000
  0.158199140000
  0.340790810000
  0.409983280000
  0.219887000000
  0.039793131000
  0.001571878600
  0.000001946516
  0.000015124511
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HoQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Er.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.40e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* ErQR5L ErQR5L-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: ErQR5L-[M]
* mv+dw from ErQR(5L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in ErQR5L ErQR5L-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
*
 40.000000         4

   14    3
   2531908.530
   192545.7040
   26040.62590
   4795.098360
   1149.189860
   130.8008590
   74.27195930
   19.86413090
   4.145667620
   1.881177670
  0.8125831170
  0.3607068490
  0.7415720520E-01
  0.2925070620E-01
  0.000194457536 -0.000082549034 -0.000021624489
  0.001323805070 -0.000564650973 -0.000147907455
  0.007153828350 -0.003007894840 -0.000788039358
  0.033085529100 -0.014345654200 -0.003757245890
  0.077960622900 -0.031238224200 -0.008190546370
 -0.323083883000  0.133138986000  0.035080193000
 -0.186305040000  0.073074607400  0.019155900800
  1.189670770000 -0.555312577000 -0.149016976000
 -1.099138000000  0.928761676000  0.270633024000
 -0.252467757000  0.211899510000  0.068631898400
  0.002358415260 -0.877087763000 -0.348713792000
 -0.002283945260 -0.496130123000 -0.355832996000
  0.000329953206 -0.013109143000  0.667322847000
 -0.000136748819  0.003403199090  0.531547375000
   10    2
   3198.125180
   702.7560000
   211.7327070
   30.89420090
   12.49228630
   7.437115160
   3.348259310
   1.379463060
  0.5967633710
  0.2348604270
  0.009223820330 -0.003295148350
  0.060410926000 -0.021707878600
  0.164590328000 -0.058773324300
 -0.511851380000  0.197868504000
 -0.298799144000  0.103945274000
  0.655170161000 -0.322470104000
  0.591922902000 -0.348380936000
  0.088868956700  0.283505079000
 -0.004845491850  0.672741375000
  0.001433492090  0.258321173000
   10    2
   869.3000560
   254.5822540
   94.69374200
   39.07398840
   8.087883260
   3.780460190
   1.723050180
  0.6599884410
  0.2325441450
  0.7478705780E-01
 -0.005286814220  0.001113058700
 -0.039404620400  0.008004236190
 -0.142530724000  0.030359434200
 -0.233820139000  0.045734582300
  0.436428643000 -0.115221257000
  0.481727280000 -0.111883322000
  0.184802084000  0.051076531000
  0.015709403500  0.359782461000
 -0.000397339414  0.512842526000
  0.000201032959  0.328385019000
    8    1
   187.5853450
   64.06248300
   26.27768420
   11.73489510
   5.328092520
   2.366861910
  0.9890852440
  0.3665603410
  0.004824556100
  0.034643094900
  0.124098124000
  0.267474561000
  0.360844311000
  0.336523259000
  0.215924220000
  0.077231205300
    3    1
 2.01200000D+01
 5.25000000D+00
 1.33800000D+00
 4.01619640D-01
 6.15998775D-01
 3.90462717D-01
*
* Core AIMP: ErQR5L ErQR5L-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   586030.8400
   131411.1800
   41995.68000
   14857.09400
   5673.476900
   2255.855500
   878.7908600
   389.4958100
   186.8772500
   64.72937700
   35.60490100
   18.82984800

  0.011241968500
  0.009621912000
  0.015552483750
  0.024456670500
  0.034565805000
  0.041123757500
  0.060180145000
  0.106128720000
  0.065087142500
  0.161209157500
  0.152954072500
  0.017878169250
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  4259.19620      725.558050      166.997650
   891400.0000
   110870.0000
   24410.00000
   7104.000000
   2465.000000
   969.0000000
   417.5000000
   176.2000000
   83.25000000
   38.09000000
   20.86000000
   10.90000000
   5.565000000
   2.845000000
   1.292000000
  0.005060367100  0.001908646200  0.000896874490
  0.019353167000  0.007510786100  0.003538337200
  0.061735477000  0.024415912000  0.011563737000
  0.163455240000  0.068750109000  0.032809165000
  0.325703740000  0.151612910000  0.073886473000
  0.393053920000  0.232687990000  0.117960620000
  0.199025840000  0.089328158000  0.044199727000
  0.012457704000 -0.437147550000 -0.345836730000
 -0.013467069000 -0.589795720000 -0.636311370000
 -0.000772935870 -0.152476440000  0.089504220000
  0.007290041900  0.016565159000  0.856054740000
  0.003210704300 -0.004683049200  0.359851820000
 -0.002245471200  0.001521249000  0.022911840000
 -0.001710811300 -0.001920367000  0.001409569200
 -0.000163102740  0.000059996139 -0.000349416360
   12    2
  642.724550      141.199500
   10280.00000
   2460.000000
   837.9000000
   339.0000000
   152.1000000
   72.81000000
   35.69000000
   18.36000000
   9.322000000
   4.823000000
   2.454000000
   1.117000000
  0.006298226500  0.003207740000
  0.037271544000  0.019184617000
  0.135772000000  0.072763003000
  0.315967780000  0.178786580000
  0.415144570000  0.245112810000
  0.238365250000  0.008254983100
  0.036586429000 -0.471286740000
 -0.003054651500 -0.496555860000
 -0.000093461298 -0.131087690000
  0.001447941700 -0.004098301100
  0.000731509780 -0.000824232030
  0.000085613718  0.000242046150
   10    1
  324.770000
   1082.000000
   336.4000000
   134.5000000
   60.58000000
   29.16000000
   14.58000000
   7.347000000
   3.669000000
   1.780000000
  0.7683000000
  0.006833583700
  0.046118734000
  0.167010300000
  0.350987460000
  0.405781790000
  0.206138280000
  0.035025570000
  0.001464316700
 -0.000030841835
  0.000030028476
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ErQR(5L)-[Kr,4d]
End of Spectral Representation Operator

/Tm.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.41e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* TmQR4K TmQR4K-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: TmQR4K-[M]
* mv+dw from TmQR(4K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in TmQR4K TmQR4K-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
*
 41.000000         4

   14    3
   2738770.930
   206251.3380
   27582.37360
   5021.877030
   1196.900530
   135.5214960
   76.67439490
   20.68016130
   4.319284010
   1.956539050
  0.8410552340
  0.3721779620
  0.7596336630E-01
  0.2989933580E-01
  0.000195947717 -0.000083087855 -0.000021613023
  0.001327932140 -0.000565908346 -0.000147197485
  0.007161671100 -0.003006054090 -0.000782035035
  0.033245772000 -0.014424812600 -0.003751463130
  0.077897512300 -0.031075574900 -0.008090751150
 -0.325945130000  0.133927813000  0.035039282700
 -0.185123753000  0.072293330100  0.018811911400
  1.191850570000 -0.554431979000 -0.147681411000
 -1.098681370000  0.924527285000  0.267101176000
 -0.253654602000  0.210574856000  0.067783069600
  0.002700930680 -0.874433457000 -0.344311022000
 -0.002395702210 -0.495533808000 -0.353053466000
  0.000362269124 -0.013080150100  0.663790750000
 -0.000150791740  0.003412936670  0.532947847000
   10    2
   3319.293420
   728.4128870
   219.3665190
   32.10265050
   13.17886690
   7.682274610
   3.484372930
   1.446422460
  0.6225082780
  0.2439703730
  0.009284428270 -0.003303755150
  0.060701346100 -0.021722961500
  0.165345152000 -0.058808324900
 -0.512343608000  0.197250593000
 -0.285697115000  0.097678834200
  0.643409120000 -0.315968594000
  0.588867091000 -0.345176692000
  0.089857235400  0.275070562000
 -0.004429401970  0.673710612000
  0.001362963550  0.265048198000
   10    2
   904.3913550
   264.7989000
   98.53631590
   40.69964290
   8.412449890
   3.916325090
   1.774333720
  0.6709492820
  0.2344326460
  0.7471317230E-01
 -0.005271244760  0.001089250760
 -0.039330821500  0.007837262150
 -0.142638258000  0.029820837000
 -0.234697829000  0.045041637100
  0.439556117000 -0.113647123000
  0.482456545000 -0.110170512000
  0.181899951000  0.054372076700
  0.014842692700  0.360761239000
 -0.000360723986  0.512071073000
  0.000196371639  0.329860323000
    8    1
   211.2818290
   72.07710280
   29.63683440
   13.25387050
   6.032210420
   2.678487600
   1.114707810
  0.4075243170
  0.004056784700
  0.030290123300
  0.112420505000
  0.253598030000
  0.356413174000
  0.345341736000
  0.231680849000
  0.089196922000
    3    1
 2.10000000D+01
 5.47000000D+00
 1.38600000D+00
 4.04202534D-01
 6.16029807D-01
 3.89389139D-01
*
* Core AIMP: TmQR4K TmQR4K-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   607240.8400
   135791.1800
   43297.68000
   15300.09400
   5829.976900
   2305.755500
   893.3608600
   395.7758100
   188.0772600
   66.17337700
   36.46890100
   19.29884800

  0.010987953902
  0.009433348049
  0.015249672683
  0.023966365610
  0.033924034146
  0.040471970732
  0.059949256098
  0.104693180488
  0.061683919512
  0.161325229268
  0.145121212195
  0.016120689268
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  4400.73540      752.663720      173.665490
   895700.0000
   111400.0000
   24520.00000
   7163.000000
   2490.000000
   978.5000000
   421.9000000
   179.1000000
   84.54000000
   38.02000000
   21.06000000
   11.02000000
   5.614000000
   2.864000000
   1.282000000
  0.005349112500  0.002027276000  0.000955344450
  0.020299422000  0.007919141800  0.003736915100
  0.064024674000  0.025473274000  0.012104986000
  0.167290640000  0.070842468000  0.033868024000
  0.330214970000  0.154914520000  0.075811372000
  0.391709520000  0.233617350000  0.118611980000
  0.191412480000  0.078248204000  0.038137241000
  0.010056130000 -0.451189780000 -0.361946060000
 -0.013548455000 -0.583764270000 -0.631900930000
 -0.000415081690 -0.143373030000  0.138465960000
  0.007705133100  0.020436140000  0.850745330000
  0.002927421300 -0.005854465300  0.333247950000
 -0.002409785900  0.001833725800  0.019237932000
 -0.001675218100 -0.002053982900  0.001243247300
 -0.000139406100  0.000100976930 -0.000326156050
   12    2
  665.693720      146.711560
   10441.00000
   2493.000000
   847.5000000
   342.8000000
   153.9000000
   73.66000000
   36.13000000
   18.59000000
   9.430000000
   4.869000000
   2.473000000
   1.118000000
  0.006543749200  0.003344773500
  0.038635665000  0.019963552000
  0.140003900000  0.075368114000
  0.321807810000  0.182978180000
  0.414768890000  0.244843760000
  0.230791420000 -0.006177357600
  0.032818959000 -0.486533230000
 -0.003030876500 -0.484465550000
 -0.000081562039 -0.120664800000
  0.001571008000 -0.003232207000
  0.000687271100 -0.000717427450
  0.000083382608  0.000218880020
   10    1
  338.150000
   1079.000000
   335.4000000
   134.4000000
   60.70000000
   29.29000000
   14.64000000
   7.390000000
   3.704000000
   1.803000000
  0.7770000000
  0.007400847400
  0.049344652000
  0.175163100000
  0.359082980000
  0.401850470000
  0.194167210000
  0.030565928000
  0.001377364300
 -0.000072083899
  0.000046321181
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TmQR(4K)-[Kr,4d]
End of Spectral Representation Operator

/Yb.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.42e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* YbQR3H YbQR3H-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: YbQR3H-[M]
* mv+dw from YbQR(3H)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in YbQR3H YbQR3H-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
*
 42.000000         4

   14    3
   2968509.610
   221395.3350
   29257.86040
   5243.140020
   1242.782950
   140.7832020
   79.59866730
   21.51015730
   4.492526670
   2.028914530
  0.8615733200
  0.3811724560
  0.7818662320E-01
  0.3064701740E-01
  0.000196559918 -0.000082984514 -0.000021506714
  0.001326090730 -0.000563112351 -0.000145931203
  0.007146758040 -0.002982210890 -0.000772977682
  0.033566296900 -0.014573549800 -0.003776143730
  0.077316134000 -0.030494490000 -0.007910158600
 -0.325128413000  0.132814824000  0.034616299700
 -0.186878575000  0.072873296100  0.018894550200
  1.193061420000 -0.552549431000 -0.146608163000
 -1.099316780000  0.920013607000  0.264644327000
 -0.253483796000  0.205641088000  0.065648195200
  0.002925502130 -0.878114335000 -0.344888121000
 -0.002444317240 -0.485480155000 -0.347084837000
  0.000383477829 -0.012751800400  0.660974251000
 -0.000159063759  0.003280509950  0.535271954000
   10    2
   3461.212250
   757.3523200
   227.5805800
   33.33245770
   14.76495790
   7.396184130
   3.433460810
   1.381563890
  0.6003124440
  0.2374008200
  0.009280923620 -0.003290600650
  0.060785111800 -0.021668750000
  0.166187553000 -0.058896976900
 -0.510946943000  0.196258835000
 -0.218987467000  0.070627836500
  0.631439958000 -0.322736543000
  0.549569033000 -0.307638743000
  0.073048714600  0.329720097000
 -0.005149382090  0.651615807000
  0.001402064060  0.232347303000
   10    2
   943.3815210
   275.8695720
   102.5558100
   42.35132630
   8.767996430
   4.088330460
   1.853351740
  0.6933028530
  0.2390059300
  0.7492525690E-01
 -0.005224337120  0.001041793910
 -0.039148226500  0.007526294270
 -0.142786037000  0.028804867300
 -0.235717007000  0.043655202700
  0.438802082000 -0.109271121000
  0.481599359000 -0.106247949000
  0.183517211000  0.050865442500
  0.015127644800  0.351363440000
 -0.000458368993  0.512465110000
  0.000219788281  0.346612904000
    8    1
   216.9355430
   74.05562530
   30.46866590
   13.63473620
   6.203789460
   2.751927710
   1.143219360
  0.4168989910
  0.004204429710
  0.031272201000
  0.115497053000
  0.257493485000
  0.357294167000
  0.342493812000
  0.228483280000
  0.088062446800
    3    1
 2.20000000D+01
 5.73000000D+00
 1.44500000D+00
 4.04728839D-01
 6.15938336D-01
 3.90012427D-01
*
* Core AIMP: YbQR3H YbQR3H-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   557880.8400
   127861.1800
   41451.68000
   14840.09400
   5710.676800
   2268.655500
   883.1508600
   394.5958100
   184.8372500
   67.09337700
   37.04190100
   19.59384800

  0.011338051429
  0.009523100000
  0.015321907857
  0.023883380952
  0.033411576190
  0.039670178571
  0.060587740476
  0.103243504762
  0.057078928571
  0.163179302381
  0.135558980952
  0.013870014286
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  4545.16100      780.414130      180.489800
   906400.0000
   113140.0000
   24920.00000
   7249.000000
   2515.000000
   987.7000000
   425.4000000
   182.4000000
   86.19000000
   38.47000000
   21.27000000
   11.04000000
   5.722000000
   2.924000000
   1.307000000
  0.005620689300  0.002140756600  0.001011258000
  0.021005080000  0.008234794600  0.003893666700
  0.065927702000  0.026386671000  0.012573020000
  0.171643880000  0.073140442000  0.035044640000
  0.334938680000  0.158409240000  0.077787811000
  0.390363670000  0.234249650000  0.119209060000
  0.183927360000  0.067219264000  0.031745420000
  0.007294571000 -0.462623410000 -0.375150540000
 -0.013272610000 -0.576470040000 -0.626854190000
 -0.000388569660 -0.136129430000  0.180353040000
  0.008397768500  0.021889876000  0.851897280000
  0.002477029600 -0.006479788300  0.305163670000
 -0.002468800900  0.002090011000  0.013894684000
 -0.001700035300 -0.002165276800  0.001761201200
 -0.000125444500  0.000124789170 -0.000402550540
   12    2
  689.102530      152.328140
   10457.00000
   2491.000000
   846.7000000
   342.2000000
   153.6000000
   73.50000000
   36.34000000
   18.77000000
   9.511000000
   4.908000000
   2.491000000
   1.120000000
  0.006951896000  0.003562914300
  0.040780108000  0.021171755000
  0.146452980000  0.079184646000
  0.331320810000  0.189626060000
  0.413941560000  0.243164130000
  0.218161340000 -0.027909264000
  0.027455497000 -0.500745660000
 -0.002631987800 -0.468717710000
 -0.000212423620 -0.110554080000
  0.001761567000 -0.002179672800
  0.000612098060 -0.000717651980
  0.000088410483  0.000218013120
   10    1
  351.750000
   1079.000000
   335.4000000
   134.4000000
   60.75000000
   29.40000000
   14.72000000
   7.442000000
   3.734000000
   1.816000000
  0.7775000000
  0.007950611800
  0.052515028000
  0.183812160000
  0.367431700000
  0.396165260000
  0.182482170000
  0.026951141000
  0.001239159100
 -0.000078382927
  0.000052139818
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YbQR(3H)-[Kr,4d]
End of Spectral Representation Operator

/Lu.ECP.Seijo.14s10p10d8f3g.3s2p2d1f1g.43e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[M], [7s6p6d4f1g] recommended
*
* LuQR2D LuQR2D-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: LuQR2D-[M]
* mv+dw from LuQR(2D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in LuQR2D LuQR2D-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
*
 43.000000         4

   14    3
   3203431.170
   236518.8790
   30920.30510
   5525.414560
   1302.272400
   144.6608030
   80.74411040
   22.38270930
   4.689772760
   2.147393490
  0.9029078050
  0.3980136180
  0.8114483940E-01
  0.3169484750E-01
  0.000199358797 -0.000084647897 -0.000021942248
  0.001340276390 -0.000571856772 -0.000148229566
  0.007190544380 -0.003021693840 -0.000783349157
  0.033333241200 -0.014486909700 -0.003754720680
  0.078136403300 -0.031118280500 -0.008072467180
 -0.336555233000  0.137919830000  0.035956888300
 -0.178167184000  0.068678516200  0.017784519600
  1.196558030000 -0.553401672000 -0.146788063000
 -1.091555610000  0.912459967000  0.261864714000
 -0.260040305000  0.211906376000  0.068315156100
  0.000641044641 -0.864038150000 -0.337774479000
 -0.001937071370 -0.498661558000 -0.354425169000
  0.000283834147 -0.013419877300  0.660115145000
 -0.000118504425  0.003442676340  0.536405507000
   10    2
   3602.592560
   786.5263990
   235.9632840
   34.46741060
   14.66039050
   7.881198310
   3.618679960
   1.465774510
  0.6336175120
  0.2490889500
  0.009293037910 -0.003282223070
  0.060882421400 -0.021620572800
  0.166925002000 -0.058920459200
 -0.517168895000  0.197425365000
 -0.238561721000  0.077906339700
  0.640147302000 -0.319938331000
  0.561563435000 -0.316747589000
  0.077478779200  0.310825167000
 -0.005004978480  0.657661105000
  0.001402804590  0.244676564000
   10    2
   980.1351130
   286.4998320
   106.5261620
   44.02712500
   9.114039600
   4.238174730
   1.908738600
  0.6902748160
  0.2314766610
  0.7068600080E-01
 -0.005209629380  0.000968033571
 -0.039085457300  0.006994922430
 -0.142911413000  0.026866997900
 -0.236428477000  0.040741532400
  0.440390331000 -0.101479968000
  0.482443777000 -0.099891360400
  0.182332443000  0.050494024900
  0.014186525700  0.342534498000
 -0.000623457049  0.511264067000
  0.000219482653  0.367456796000
    8    1
   226.9636970
   77.48624590
   31.90399690
   14.28171460
   6.496450530
   2.877971000
   1.192992910
  0.4337076390
  0.004165659440
  0.031145424400
  0.115508618000
  0.257851039000
  0.357471673000
  0.342249286000
  0.228663588000
  0.088760869600
    3    1
 2.28700000D+01
 5.95000000D+00
 1.49700000D+00
 4.07947825D-01
 6.15755802D-01
 3.87663253D-01
*
* Core AIMP: LuQR2D LuQR2D-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   12
   574300.8400
   130311.1800
   41923.68000
   14919.09400
   5710.776900
   2256.055500
   879.8908600
   395.9258100
   182.2172500
   68.14637700
   37.68090100
   19.92284800

  0.011147607674
  0.009458946512
  0.015257449767
  0.023800100000
  0.033140911628
  0.039156339535
  0.060915862791
  0.101514718605
  0.053645486047
  0.164181055814
  0.126884623256
  0.012059687674
M2
    0
COREREP
   1.0
PROJOP
    2
   15    3
  4692.52030      808.825200      187.476530
   905800.0000
   112930.0000
   24850.00000
   7227.000000
   2507.000000
   983.1000000
   421.1000000
   184.0000000
   87.06000000
   38.77000000
   21.31000000
   10.97000000
   5.750000000
   2.937000000
   1.294000000
  0.005968632300  0.002285638500  0.001082390800
  0.022132528000  0.008717649700  0.004129381200
  0.068923799000  0.027780260000  0.013275951000
  0.177773220000  0.076256434000  0.036613448000
  0.341972140000  0.163551850000  0.080641552000
  0.388908510000  0.235042830000  0.119879880000
  0.172269540000  0.050431535000  0.021925996000
  0.002551667800 -0.480060950000 -0.394757280000
 -0.012263862000 -0.563785170000 -0.617296890000
 -0.000575959950 -0.124150500000  0.237626710000
  0.009386547700  0.020968820000  0.846014160000
  0.001684328100 -0.006010828900  0.272455240000
 -0.002423337700  0.001751052400  0.008727171000
 -0.001721599200 -0.002038692300  0.002007246400
 -0.000090406728  0.000114019110 -0.000432704050
   12    2
  712.956950      158.052660
   10544.00000
   2506.000000
   850.9000000
   344.4000000
   154.9000000
   74.16000000
   36.74000000
   18.98000000
   9.620000000
   4.961000000
   2.516000000
   1.124000000
  0.007292542500  0.003749211100
  0.042657333000  0.022237124000
  0.151766820000  0.082418828000
  0.337448710000  0.194137560000
  0.412063760000  0.241276990000
  0.209754680000 -0.044238337000
  0.023982329000 -0.514010680000
 -0.002531370300 -0.455026940000
 -0.000185271670 -0.101160040000
  0.001864463300 -0.001759627500
  0.000573857690 -0.000578113880
  0.000087368463  0.000186582650
   10    1
  365.580000
   1080.000000
   335.4000000
   134.5000000
   60.82000000
   29.45000000
   14.72000000
   7.435000000
   3.739000000
   1.830000000
  0.7886000000
  0.008528807700
  0.055794033000
  0.192289000000
  0.376014200000
  0.391076910000
  0.170345400000
  0.023007279000
  0.001127887300
 -0.000101596250
  0.000061458290
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LuQR(2D)-[Kr,4d]
End of Spectral Representation Operator


*
********************************************************************************
*         C.1.3.2.a. Actinide Elements (core [Xe,4f,5d])                       *
********************************************************************************
*
/Th.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.12e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on ThQR(5I)
*
 12.000000         4

   14    2
   17395501.40
   1089581.360
   114047.0740
   16817.64780
   3106.597480
   243.2112300
   43.04516880
   9.948192310
   2.409017720
   1.544177640
  0.5096120520
  0.2397729330
  0.6272799470E-01
  0.2631612460E-01
  0.000055925013  0.000017413348
  0.000348517059  0.000108517755
  0.001730729860  0.000538895118
  0.007599840780  0.002366405100
  0.021813572600  0.006792259860
 -0.112810002000 -0.035173599500
  0.349542126000  0.109838913000
 -0.775543186000 -0.250849726000
  1.031074090000  0.372441290000
  0.306553995000  0.111498862000
 -0.952473843000 -0.512979172000
 -0.456616366000 -0.372761885000
 -0.012070872000  0.728968456000
  0.004297199010  0.530084668000
   10    1
   7340.286790
   1530.635470
   444.2938840
   62.02119180
   12.02549590
   2.775090960
   1.696262090
  0.5458569810
  0.2605061120
  0.1106376230
  0.000766539762
  0.012796716265
  0.036700355876
 -0.133747706031
  0.322877474543
 -0.454686946556
 -0.222863064921
  0.569909831895
  0.514337757039
  0.109127260637
   11    1
   935.4715890
   269.4226270
   98.00261030
   17.60949100
   7.012645300
   4.660141620
   1.942796360
  0.4240246590
  0.1989684560
  8.8051421800E-02
  3.6177599400E-02
 -0.002298032456
 -0.013099850852
 -0.030670224351
  0.078470499812
  0.088029971553
 -0.131218731196
 -0.193930386956
  0.245738170060
  0.397738290984
  0.398223248054
  0.165000134691
    9    1
   258.5646220
   87.39797460
   35.40105140
   15.16264560
   3.021222980
   1.332957960
  0.5599876260
  0.2150523410
  7.3325168500E-02
 -0.004164735870
 -0.027459899756
 -0.078409154973
 -0.102165924861
  0.206429597612
  0.359511735675
  0.373850824615
  0.294657081945
  0.154613646579
    3    1
 2.28200000D+00
 6.34000000D-01
 1.56800000D-01
 5.09850012D-01
 5.61288429D-01
 3.34071114D-01
*
* Core AIMP: ThQR(5I)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   619741.7800
   153587.3900
   52944.17800
   19768.41900
   7766.774400
   3088.338100
   1261.853300
   585.6134200
   219.1406900
   110.5049600
   23.20446400
   14.97612400
   4.423543300
   2.437151800
   1.233694400

  0.065168170000
  0.050405989167
  0.078307791667
  0.116993841667
  0.156777458333
  0.201963066667
  0.350764041667
  0.451790275000
  0.377205250000
  1.131327833333
  1.461734916667
  0.644371858333
  0.827817791667
  0.527210091667
  0.058161670000
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  8151.30600      1524.70050      387.736120      100.429020      22.8149940
   9867413.300
   1023261.900
   187427.7600
   46335.93500
   13957.00200
   4843.394000
   1869.836700
   788.4416500
   334.3076100
   155.4400500
   64.92506700
   34.58926300
   15.52442000
   8.500639600
   3.914473300
   2.175019500
   1.065000000
  0.003645194300  0.001520224000  0.000737816040  0.000380924500  0.000185825950
  0.011546807000  0.004867644700  0.002382245500  0.001227762900  0.000597616340
  0.031681346000  0.013782932000  0.006720632600  0.003479121400  0.001699580900
  0.079937147000  0.035582689000  0.017616960000  0.009094335500  0.004426110100
  0.179556230000  0.084755116000  0.041848137000  0.021758561000  0.010647095000
  0.327166570000  0.165610640000  0.084318979000  0.043763562000  0.021313967000
  0.382863400000  0.225309670000  0.115310080000  0.060824089000  0.029942468000
  0.190518690000  0.025978413000  0.002836995800 -0.001391983800 -0.001320750600
  0.000319572890 -0.497480810000 -0.440000990000 -0.261576070000 -0.131900410000
 -0.023774599000 -0.551366720000 -0.585065580000 -0.384710650000 -0.201742990000
  0.006428751200 -0.100207430000  0.470000020000  0.517584420000  0.310878120000
  0.017314803000  0.030897550000  0.795470860000  1.032510800000  0.647718820000
 -0.002655888900 -0.011203758000  0.140254090000 -0.473707850000 -0.451562790000
 -0.009047175700  0.000443758520 -0.022565867000 -0.963754110000 -1.252439100000
 -0.000001397484 -0.003186418500  0.007286545900 -0.137829010000  0.295305250000
  0.003050112200  0.003507428700 -0.002101007300  0.010556303000  1.066322600000
  0.000599828720  0.000045530508  0.000924339790 -0.001376804200  0.218906040000
   14    4
  1283.46380      319.305500      77.6344830      15.6487660
   27220.00000
   6149.000000
   2008.000000
   788.1000000
   346.1000000
   163.7000000
   78.91000000
   40.46000000
   20.54000000
   10.80900000
   5.679000000
   2.984000000
   1.532000000
  0.7140000000
  0.005420158600  0.002936145000  0.001524704000  0.000712238080
  0.030236180000  0.016473503000  0.008604931100  0.004069376500
  0.111320630000  0.062815705000  0.032984099000  0.015481483000
  0.277351880000  0.162850550000  0.086765939000  0.041228318000
  0.414528070000  0.255142630000  0.136866820000  0.064412435000
  0.293574710000  0.075396654000  0.020098137000  0.007802559500
  0.059901820000 -0.431616360000 -0.364761240000 -0.195284770000
 -0.009239179200 -0.537651020000 -0.446369250000 -0.229428930000
  0.001343064600 -0.159381790000  0.264009450000  0.213636120000
  0.004042242000 -0.000408702160  0.696837610000  0.606679110000
  0.002049490000 -0.001154563500  0.274331480000  0.071811334000
 -0.001746514900 -0.000022983782  0.019302759000 -0.688668850000
 -0.001040876100 -0.001256641100  0.000782051730 -0.487317060000
 -0.000175736390 -0.000046092259 -0.000371109820 -0.063277383000
   11    3
  254.292700      52.7366990      7.30027610
   1874.000000
   572.8000000
   226.2000000
   100.3000000
   47.55000000
   22.80000000
   11.17000000
   5.505000000
   2.659000000
   1.252000000
  0.5380000000
  0.009311498400  0.005163126400  0.002184968200
  0.060753647000  0.034578211000  0.015006101000
  0.213727680000  0.123273410000  0.052952113000
  0.414071860000  0.237406670000  0.103272980000
  0.383431990000  0.126916400000  0.040927934000
  0.124565360000 -0.333171410000 -0.193650830000
  0.004691986300 -0.549652300000 -0.310151380000
  0.000895246070 -0.239516220000  0.079558577000
 -0.000065931272 -0.022265784000  0.556151990000
  0.000769001180  0.000025112792  0.434004050000
  0.000031893081  0.000248306080  0.087710886000
    6    1
  26.3524680
   207.7000000
   71.89000000
   30.24000000
   13.61000000
   6.230000000
   2.706000000
  0.028065035000
  0.144866030000
  0.345646210000
  0.435057000000
  0.276459890000
  0.061991674000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ThQR(5I)-[Xe,4f,5d]
End of Spectral Representation Operator

/Pa.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.13e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on PaQR(6L)
*
 13.000000         4

   14    2
   19024992.90
   1184505.760
   122713.4780
   17876.34380
   3241.596130
   250.7917630
   44.48250690
   10.33641410
   2.518135210
   1.542194500
  0.5310909350
  0.2439810840
  0.5515731900E-01
  0.2313570920E-01
  0.000056105015  0.000016063139
  0.000348279113  0.000099714039
  0.001721813810  0.000492962226
  0.007555362790  0.002163139860
  0.021956705200  0.006285972380
 -0.112597958000 -0.032272381400
  0.350436822000  0.101196642000
 -0.778986797000 -0.231239915000
  1.066175820000  0.351827477000
  0.262479807000  0.084706359400
 -0.935827517000 -0.441991103000
 -0.466523681000 -0.346952091000
 -0.012806535200  0.701918699000
  0.002712847960  0.515397114000
   10    1
   7591.018440
   1579.342300
   457.6996330
   63.83845970
   12.46030600
   2.910928350
   1.845970560
  0.5463819690
  0.2533618110
  0.1069211950
  0.000715885293
  0.012775017113
  0.036648684856
 -0.133544584910
  0.321913733681
 -0.440480953755
 -0.215441517405
  0.583495991145
  0.498679664995
  0.099515547992
   11    1
   964.7784360
   277.6765880
   100.9912800
   18.19769140
   7.556203110
   4.639525040
   2.029300300
  0.4505334690
  0.2039709220
  8.6347495900E-02
  3.4459380600E-02
 -0.002779863495
 -0.012499113804
 -0.029358447590
  0.074939334612
  0.069610299892
 -0.114908272326
 -0.178257708618
  0.233725225654
  0.395520634654
  0.410524594022
  0.183806479980
    9    1
   267.8777720
   90.62024670
   36.80945870
   15.85230300
   3.218149560
   1.434188610
  0.6072357800
  0.2329665840
  7.7153839200E-02
 -0.004571636900
 -0.029094096101
 -0.083078674290
 -0.108130861406
  0.216628948326
  0.371166058807
  0.373058396209
  0.277004660846
  0.143248972045
    3    1
 2.46100000D+00
 6.95000000D-01
 1.70000000D-01
 5.25977024D-01
 5.58331036D-01
 3.12100133D-01
*
* Core AIMP: PaQR(6L)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   645181.7770
   159866.3910
   55088.17790
   20562.21920
   8074.354430
   3209.038080
   1309.751300
   606.8964190
   227.8386890
   114.2659560
   23.89996430
   15.52002360
   4.579103260
   2.512681850
   1.255435390

  0.060000807000
  0.046405729769
  0.072067964846
  0.107613640769
  0.144375437692
  0.186100997692
  0.322536044615
  0.418452516154
  0.344947871538
  1.049832784615
  1.374258684615
  0.569231199231
  0.783947161538
  0.471521979231
  0.048707182769
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  8372.20870      1572.17930      401.091150      104.421150      23.7113770
   10017413.00
   1032261.900
   188127.7600
   46375.93500
   13947.00200
   4836.394000
   1866.836700
   786.2416500
   339.1076100
   158.6400500
   67.13506800
   35.73926300
   16.19442000
   8.875639600
   4.127473300
   2.279019500
   1.106000000
  0.003853659500  0.001614935000  0.000784919160  0.000406168540  0.000199496310
  0.012148553000  0.005152755500  0.002524040900  0.001304403400  0.000639291480
  0.033144818000  0.014491479000  0.007078610500  0.003672381200  0.001806305100
  0.082988844000  0.037213867000  0.018442600000  0.009548214800  0.004678962400
  0.184811230000  0.087738176000  0.043411094000  0.022620068000  0.011145514000
  0.332270050000  0.169633290000  0.086475778000  0.045022224000  0.022076515000
  0.380749320000  0.223489450000  0.114437460000  0.060464056000  0.029981269000
  0.181295730000  0.011809086000 -0.006770922300 -0.006760138200 -0.004064368800
 -0.003325004400 -0.503536490000 -0.447651800000 -0.267416020000 -0.135827230000
 -0.023202571000 -0.540318490000 -0.574354590000 -0.378982140000 -0.200447380000
  0.006275183900 -0.096859972000  0.473525450000  0.521598320000  0.316087690000
  0.018196946000  0.029624260000  0.792974250000  1.035358400000  0.655251040000
 -0.002903465500 -0.010421234000  0.141380810000 -0.462428220000 -0.445105070000
 -0.009288753400 -0.000383634730 -0.021849011000 -0.973037240000 -1.278607300000
 -0.000119341490 -0.002875523000  0.006879654000 -0.141899620000  0.296419550000
  0.003243941400  0.003402334700 -0.001761752900  0.009859620800  1.077563600000
  0.000602550320  0.000101234890  0.000868478840 -0.001298721700  0.215637260000
   14    4
  1318.95910      329.499480      80.5904950      16.1836630
   27530.00000
   6219.000000
   2029.000000
   795.2000000
   348.8000000
   164.9000000
   79.63000000
   40.82000000
   20.65000000
   10.87600000
   5.692000000
   3.013000000
   1.543000000
  0.7060000000
  0.005618521800  0.003050885800  0.001588686300  0.000748591030
  0.031131828000  0.017008638000  0.008919649400  0.004248210600
  0.114124400000  0.064580905000  0.034016300000  0.016100854000
  0.282513480000  0.166388020000  0.089017466000  0.042606924000
  0.416502490000  0.256281510000  0.137715050000  0.065358360000
  0.287200600000  0.064433326000  0.012786853000  0.003989614800
  0.055341501000 -0.445226450000 -0.378895090000 -0.204484570000
 -0.009232804200 -0.530405810000 -0.435959810000 -0.225393900000
  0.001454653000 -0.149891020000  0.295331450000  0.240244550000
  0.004395616800  0.001315455600  0.696400170000  0.616623130000
  0.001782099400 -0.001386023900  0.253289340000  0.024223836000
 -0.001831697800 -0.000060226157  0.014850584000 -0.709523530000
 -0.001030019000 -0.001253954100  0.000941381760 -0.456924580000
 -0.000152261100 -0.000028850940 -0.000369901370 -0.053557189000
   11    3
  262.485440      54.9061020      7.52123360
   1869.000000
   571.3000000
   225.6000000
   100.0000000
   47.41000000
   22.67000000
   11.12000000
   5.474000000
   2.663000000
   1.251000000
  0.5286000000
  0.009889599800  0.005503370800  0.002360310300
  0.063915405000  0.036641010000  0.016038199000
  0.222076170000  0.128688180000  0.055937439000
  0.420870120000  0.242175770000  0.106161170000
  0.375333560000  0.112360510000  0.033776901000
  0.115130340000 -0.358043400000 -0.210911380000
  0.002966889700 -0.545521520000 -0.307430260000
  0.001026075200 -0.218613740000  0.117444430000
 -0.000057681178 -0.017256341000  0.569240850000
  0.000763559970 -0.000229032070  0.408317160000
  0.000019740353  0.000268311070  0.076596109000
    6    1
  27.8591870
   217.3000000
   75.28000000
   31.71000000
   14.30000000
   6.564000000
   2.857000000
  0.027344398000
  0.142439610000
  0.343474710000
  0.436517410000
  0.278033510000
  0.061587542000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PaQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/U.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.14e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on UQR(5K)
*
 14.000000         4

   14    2
   20939315.10
   1294673.900
   132564.6360
   19043.07870
   3383.971390
   258.5440650
   45.96595890
   10.72203870
   2.673875640
   1.737706020
  0.5663120640
  0.2690939990
  0.6650714520E-01
  0.2656034300E-01
  0.000057579287  0.000017109015
  0.000356354596  0.000105886711
  0.001755890260  0.000521740849
  0.007709887680  0.002290928240
  0.022709527700  0.006747781910
 -0.115450218000 -0.034351461800
  0.360979032000  0.108279892000
 -0.807159548000 -0.249320513000
  1.050834150000  0.361240285000
  0.313645424000  0.109584081000
 -0.953725150000 -0.486260250000
 -0.456510878000 -0.352203595000
 -0.012755980000  0.695002143000
  0.002578483710  0.544810358000
   10    1
   7869.846670
   1631.964920
   471.6581460
   65.73569380
   12.87210610
   3.229230380
   2.201207980
  0.5631861060
  0.2589407950
  0.1048541440
  0.000692975134
  0.013299895212
  0.038229286702
 -0.139105990342
  0.337313065968
 -0.342023497038
 -0.329755416364
  0.637287282510
  0.467719632745
  0.070907260866
   11    1
   992.5003700
   285.3350420
   103.7756250
   18.95870220
   8.351362790
   4.740928550
   2.164035370
  0.4734673420
  0.2159227570
  9.5212832100E-02
  3.9805762900E-02
 -0.002730803651
 -0.014990873978
 -0.035180122253
  0.087696194528
  0.072792753524
 -0.123642742030
 -0.210071493815
  0.299638994140
  0.440701698641
  0.345711616690
  0.112318158472
    9    1
   281.7140740
   95.19198950
   38.57643990
   16.59474280
   3.509992340
   1.669313810
  0.7750548700
  0.3365304670
  0.1286120450
 -0.004927495204
 -0.032809811931
 -0.095459617498
 -0.124909331511
  0.228296261183
  0.373929481322
  0.365696468364
  0.240004512190
  0.084021778865
    3    1
 2.94000000D+00
 9.70000000D-01
 2.90000000D-01
 5.05666652D-01
 5.48559007D-01
 2.65006284D-01
*
* Core AIMP: UQR(5K)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   671477.7800
   166390.3900
   57344.07800
   21400.21900
   8399.854400
   3338.248100
   1361.199300
   629.6164200
   237.3216900
   118.1950600
   24.62676400
   16.16122400
   4.760033300
   2.639841800
   1.344965400

  0.055582280000
  0.042961966429
  0.066681752143
  0.099548735714
  0.133671414286
  0.172342478571
  0.298032735714
  0.390079442857
  0.316800157143
  0.980881785714
  1.295515500000
  0.506982678571
  0.738513857143
  0.429894842857
  0.043938915714
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  8598.24680      1621.45680      415.431530      109.161230      25.2788060
   10227413.00
   1048261.900
   190527.7600
   46825.93500
   14047.00200
   4862.394000
   1873.836700
   785.9416500
   342.8076100
   161.1400500
   68.91506800
   36.58926300
   16.62442000
   9.125639600
   4.241473300
   2.359019500
   1.154000000
  0.004060309600  0.001710120400  0.000832275140  0.000431776090  0.000213577540
  0.012704755000  0.005419872400  0.002657579000  0.001376646700  0.000680042230
  0.034415457000  0.015125581000  0.007399427700  0.003849195200  0.001906125200
  0.085590601000  0.038637655000  0.019169874000  0.009947530500  0.004914607900
  0.189186820000  0.090335778000  0.044772627000  0.023396728000  0.011604042000
  0.336457220000  0.172973900000  0.088294541000  0.046068545000  0.022783024000
  0.379354660000  0.221970560000  0.113629910000  0.060224401000  0.030029792000
  0.173776840000 -0.002300471500 -0.016497706000 -0.012451654000 -0.006878979200
 -0.007013483800 -0.512236020000 -0.458501910000 -0.274920860000 -0.141036730000
 -0.022562110000 -0.527468320000 -0.560588510000 -0.372075280000 -0.198139930000
  0.006483211900 -0.091427328000  0.490157870000  0.542437360000  0.330693760000
  0.018925440000  0.028127979000  0.784183680000  1.027443500000  0.658923530000
 -0.003539934800 -0.009807473300  0.136746180000 -0.485964450000 -0.478064300000
 -0.009368063600 -0.001115367100 -0.021301141000 -0.962656950000 -1.282381300000
 -0.000051722930 -0.002509405800  0.006664836200 -0.136740260000  0.341135550000
  0.003376798000  0.003346782300 -0.001634987300  0.010149549000  1.063104800000
  0.000584884400  0.000122392440  0.000852868730 -0.001287857200  0.205727850000
   14    4
  1355.64930      340.523150      84.2430730      17.3579420
   29900.00000
   6708.000000
   2180.000000
   852.8000000
   373.6000000
   176.4000000
   85.16000000
   43.74000000
   22.32000000
   11.79300000
   6.238000000
   3.296000000
   1.697000000
  0.7940000000
  0.005300549900  0.002883221900  0.001507854500  0.000716524190
  0.029401962000  0.016094734000  0.008460455800  0.004067903400
  0.108316060000  0.061317902000  0.032416035000  0.015475282000
  0.271797560000  0.159984080000  0.085740822000  0.041421424000
  0.413059040000  0.254629150000  0.137524990000  0.065848409000
  0.300815010000  0.086039154000  0.026830506000  0.011203187000
  0.064422132000 -0.417049510000 -0.355206790000 -0.193811800000
 -0.009584347000 -0.544374960000 -0.459347990000 -0.241619700000
  0.001105746700 -0.170032290000  0.237164870000  0.200812500000
  0.004392488200 -0.001468033900  0.701823340000  0.625567710000
  0.002302771100 -0.000960204940  0.289449820000  0.094112445000
 -0.001873623600 -0.000117049390  0.021979209000 -0.695426290000
 -0.001145473000 -0.001340346100  0.000696400950 -0.494368390000
 -0.000193595470 -0.000061558096 -0.000349524620 -0.065596069000
   11    3
  271.444060      57.7499220      8.33310930
   1863.000000
   568.8000000
   224.5000000
   99.50000000
   47.19000000
   22.53000000
   11.05000000
   5.412000000
   2.661000000
   1.265000000
  0.5482000000
  0.010514627000  0.005876841700  0.002568608400
  0.067457344000  0.038928705000  0.017258166000
  0.231145730000  0.134614850000  0.059520675000
  0.427491280000  0.246544650000  0.109312740000
  0.365964610000  0.096270624000  0.025930714000
  0.105678450000 -0.383243060000 -0.230345350000
  0.001606367300 -0.540231510000 -0.303228710000
  0.001095562700 -0.197420500000  0.160610600000
 -0.000025615921 -0.012193954000  0.577724400000
  0.000757241600 -0.000588634260  0.377544330000
  0.000005932262  0.000349589680  0.065023930000
    6    1
  30.0303550
   226.7000000
   78.62000000
   33.17000000
   15.00000000
   6.912000000
   3.023000000
  0.026753150000
  0.140410060000
  0.341432410000
  0.437106540000
  0.279505740000
  0.061653028000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
UQR(5K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Np.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.15e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on NpQR(6L)
*
 15.000000         4

   14    2
   22892794.40
   1407683.520
   142738.1370
   20254.35420
   3528.561040
   266.5347010
   47.47959480
   11.12518380
   2.795761420
   1.764888800
  0.5989720650
  0.2832455670
  0.6811815540E-01
  0.2710225850E-01
  0.000058255613  0.000017013363
  0.000359150667  0.000104888807
  0.001761539430  0.000514450466
  0.007729270860  0.002257304850
  0.023060390500  0.006734253230
 -0.116184142000 -0.033972819400
  0.365011124000  0.107614498000
 -0.818921073000 -0.248679191000
  1.086753470000  0.367027968000
  0.291679278000  0.099980391900
 -0.949247797000 -0.470001400000
 -0.466786250000 -0.354826160000
 -0.012971638000  0.688730697000
  0.002722747390  0.545031621000
   10    1
   8121.011690
   1680.753380
   485.2780040
   67.66906000
   13.30202560
   3.519387030
   2.416225880
  0.5862469570
  0.2696208060
  0.1097453200
  0.000655723369
  0.013512678160
  0.038781500122
 -0.141032154208
  0.342903778875
 -0.275884161782
 -0.396250451752
  0.636683433329
  0.464425155415
  0.072110316187
   11    1
   1018.963070
   292.9793870
   106.6462550
   19.68366880
   9.108637080
   4.806807390
   2.279219360
  0.4977248890
  0.2241237320
  9.8082186400E-02
  4.0941776100E-02
 -0.002882637606
 -0.015378472869
 -0.036051786335
  0.088234644063
  0.067250911517
 -0.118930472963
 -0.210024751523
  0.309727245281
  0.446423537995
  0.337866313094
  0.105278571968
    9    1
   292.7725600
   99.01686020
   40.20015640
   17.35033360
   3.720000740
   1.792933940
  0.8460876180
  0.3728386720
  0.1442317150
 -0.005055161878
 -0.033884315028
 -0.099129010047
 -0.130279850408
  0.234693874456
  0.375186438445
  0.360039668734
  0.232448254263
  0.078926488879
    3    1
 3.11400000D+00
 1.03700000D+00
 3.16600000D-01
 5.20328179D-01
 5.41046199D-01
 2.47958041D-01
*
* Core AIMP: NpQR(6L)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   695941.7770
   171872.3910
   59151.17790
   22115.91920
   8703.244430
   3461.088080
   1410.785300
   651.8344190
   246.5946890
   122.1432560
   25.35636430
   16.74912360
   4.929163260
   2.734951850
   1.394088390

  0.051899246533
  0.040225249867
  0.062277944667
  0.092478298667
  0.124266673333
  0.160541676667
  0.277182776667
  0.364880471333
  0.293015472667
  0.919983346667
  1.229894400000
  0.451495790667
  0.703550493333
  0.390368092000
  0.037940067400
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  8828.60690      1671.59210      429.739200      113.621660      26.4809280
   10427413.00
   1066261.900
   193227.7600
   47285.93500
   14147.00200
   4888.394000
   1880.836700
   783.7416500
   346.8076100
   163.9400500
   70.67506700
   37.52926300
   17.16442000
   9.438639600
   4.411473300
   2.450019500
   1.198000000
  0.004277451200  0.001810647600  0.000882245830  0.000458736380  0.000228318190
  0.013261585000  0.005690880300  0.002793552400  0.001450662400  0.000721299270
  0.035731234000  0.015783586000  0.007731285300  0.004030788000  0.002008159100
  0.088285030000  0.040129576000  0.019935731000  0.010371534000  0.005158325000
  0.193624240000  0.092964025000  0.046140354000  0.024166028000  0.012057444000
  0.340462280000  0.176308290000  0.090137851000  0.047154886000  0.023479935000
  0.377941000000  0.219904950000  0.112409010000  0.059679753000  0.029922429000
  0.166520060000 -0.016700582000 -0.026485752000 -0.018214666000 -0.009832500400
 -0.011100523000 -0.518852350000 -0.467747040000 -0.281728940000 -0.145668010000
 -0.021611416000 -0.515358120000 -0.546346630000 -0.364017500000 -0.195144970000
  0.006417491100 -0.087189063000  0.504005160000  0.559886380000  0.343774310000
  0.019831060000  0.027445476000  0.774696510000  1.019545300000  0.660548460000
 -0.004173047600 -0.009541326800  0.134097110000 -0.496106080000 -0.495049940000
 -0.009419089000 -0.001624509800 -0.020747216000 -0.959256600000 -1.293401700000
 -0.000106433530 -0.002291390500  0.006405634200 -0.135592310000  0.366463720000
  0.003557758400  0.003329695500 -0.001422244500  0.009780731400  1.059543400000
  0.000569997860  0.000144148740  0.000822409670 -0.001230716300  0.198805710000
   14    4
  1392.56490      351.352750      87.5662040      18.1617800
   31280.00000
   7021.000000
   2281.000000
   890.6000000
   389.5000000
   183.8000000
   88.61000000
   45.51000000
   23.25000000
   12.29800000
   6.520000000
   3.446000000
   1.774000000
  0.8281000000
  0.005244216300  0.002859115400  0.001500477800  0.000718263760
  0.028828677000  0.015813643000  0.008337336500  0.004039029100
  0.106175120000  0.060203984000  0.031931432000  0.015355950000
  0.268204600000  0.157985460000  0.084895066000  0.041319589000
  0.411781790000  0.254159250000  0.137746710000  0.066447270000
  0.305582630000  0.092783333000  0.031170033000  0.013466912000
  0.067898401000 -0.408509400000 -0.349381730000 -0.192325340000
 -0.010074879000 -0.548783950000 -0.466592230000 -0.247903960000
  0.001187310000 -0.175808050000  0.223843640000  0.193891570000
  0.004426338800 -0.001957548400  0.704696760000  0.635192140000
  0.002518911300 -0.000877968630  0.296267380000  0.102338450000
 -0.001994017900 -0.000167647280  0.023084489000 -0.700718790000
 -0.001173524900 -0.001379756800  0.000631999450 -0.495484140000
 -0.000203016010 -0.000066187224 -0.000335520080 -0.065080681000
   11    3
  280.148910      60.2442210      8.79466120
   1849.000000
   564.3000000
   222.8000000
   98.90000000
   47.03000000
   22.51000000
   11.09000000
   5.446000000
   2.703000000
   1.294000000
  0.5622000000
  0.011255867000  0.006322336000  0.002802659700
  0.071535568000  0.041535364000  0.018586599000
  0.240778590000  0.140947200000  0.063120844000
  0.432668020000  0.249762910000  0.111579630000
  0.355153320000  0.079764936000  0.017525848000
  0.097401047000 -0.402323750000 -0.245567820000
  0.000802027080 -0.531328220000 -0.296553470000
  0.001080928200 -0.182779770000  0.190153500000
  0.000036141001 -0.009893846900  0.578210260000
  0.000735578910 -0.000673382530  0.359743470000
  0.000006931288  0.000346030050  0.059810447000
    6    1
  31.8476750
   235.5000000
   81.71000000
   34.51000000
   15.64000000
   7.232000000
   3.175000000
  0.026392679000
  0.139373500000
  0.340785460000
  0.437783750000
  0.279282600000
  0.060890839000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NpQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Pu.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.16e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on PuQR(7K)
*
 16.000000         4

   14    2
   25132969.80
   1536155.780
   154095.0940
   21572.49420
   3678.660530
   274.6282600
   49.02732400
   11.53639380
   2.930976190
   1.835864760
  0.6282357690
  0.2958076660
  0.6987458110E-01
  0.2769446350E-01
  0.000058562489  0.000016851081
  0.000359861885  0.000103548505
  0.001758292980  0.000505939353
  0.007717973040  0.002220777580
  0.023349683000  0.006717939200
 -0.116579753000 -0.033582262500
  0.368120819000  0.106941431000
 -0.828937375000 -0.248099409000
  1.098062390000  0.365190094000
  0.288387236000  0.097141618900
 -0.947723735000 -0.458604429000
 -0.469712955000 -0.354152830000
 -0.012924128200  0.684699302000
  0.002770511510  0.544702964000
   10    1
   8411.083780
   1735.970970
   499.9277540
   69.61595590
   13.76208210
   3.576053510
   2.452892290
  0.6179462210
  0.2848756800
  0.1164552360
  0.000603933904
  0.013670972015
  0.039307586211
 -0.142785985271
  0.346833460053
 -0.324330947295
 -0.351445513324
  0.625786825131
  0.472479969177
  0.077308696680
   11    1
   1047.112210
   300.9521470
   109.5911540
   20.40317530
   9.837842170
   4.842912080
   2.372447280
  0.5226263350
  0.2335787830
  0.1013772450
  4.1995505300E-02
 -0.002754416878
 -0.015583924132
 -0.036527846618
  0.087891381409
  0.063109907473
 -0.117771988894
 -0.205718256921
  0.308479380850
  0.447124717416
  0.339754224604
  0.107110799760
    9    1
   303.9933350
   102.9215540
   41.87328280
   18.13401720
   3.912495650
   1.887003590
  0.8930858270
  0.3966697850
  0.1552848540
 -0.005159777901
 -0.034745107615
 -0.102149420681
 -0.134986517920
  0.244254649674
  0.382863285876
  0.354751577174
  0.220049812473
  0.071077105481
    3    1
 3.30700000D+00
 1.11800000D+00
 3.46300000D-01
 5.27157085D-01
 5.35233332D-01
 2.38826514D-01
*
* Core AIMP: PuQR(7K)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   620092.7770
   157405.3910
   55548.57790
   21246.61920
   8546.374430
   3456.338080
   1430.988300
   667.1804190
   253.9526890
   126.0100560
   26.05126430
   17.22752360
   5.097623260
   2.826341850
   1.440411390

  0.052158834375
  0.039157827625
  0.059800170875
  0.087151335000
  0.115347977500
  0.149952973125
  0.259757713125
  0.338378790625
  0.272814817500
  0.863778375000
  1.182352656250
  0.393415774375
  0.672737906250
  0.355377386875
  0.032817461625
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  9063.76200      1722.98430      444.399860      118.181640      27.6973490
   10487413.00
   1072261.900
   193227.7600
   47095.93500
   14057.00200
   4854.394000
   1866.836700
   773.9416500
   346.6076100
   165.0400500
   72.03506700
   38.17926300
   17.45442000
   9.616639600
   4.475473300
   2.488019500
   1.219000000
  0.004537816800  0.001930834700  0.000941906280  0.000490924400  0.000245698980
  0.013971199000  0.006031242500  0.002963791300  0.001542299600  0.000771803960
  0.037495218000  0.016654345000  0.008168737300  0.004269763400  0.002138318200
  0.092010285000  0.042121990000  0.020952371000  0.010922486000  0.005469174300
  0.199882050000  0.096591084000  0.048015187000  0.025218823000  0.012644874000
  0.345995550000  0.180612630000  0.092497979000  0.048477562000  0.024314515000
  0.374791200000  0.216767180000  0.110580870000  0.058894554000  0.029628073000
  0.156110880000 -0.037914748000 -0.041287434000 -0.026984684000 -0.014248667000
 -0.015621425000 -0.530514880000 -0.483584730000 -0.292468220000 -0.152642430000
 -0.020544966000 -0.495808520000 -0.523170570000 -0.351092330000 -0.189047470000
  0.006996466700 -0.079364384000  0.530655880000  0.593577840000  0.366001800000
  0.020328930000  0.025643125000  0.759059190000  1.000195400000  0.656504660000
 -0.005027100500 -0.008953888600  0.126771140000 -0.538156760000 -0.549937520000
 -0.009411510400 -0.002377509400 -0.020575844000 -0.937016790000 -1.280244800000
  0.000164961360 -0.001734024400  0.006382337400 -0.125000690000  0.449316190000
  0.003604964900  0.003183926300 -0.001367004800  0.009840312800  1.023955100000
  0.000513794070  0.000147234620  0.000800295950 -0.001213012300  0.177321150000
   14    4
  1430.06910      362.363960      90.9346490      18.9641820
   32190.00000
   7201.000000
   2334.000000
   911.3000000
   398.8000000
   188.2000000
   90.80000000
   46.66000000
   23.85000000
   12.64300000
   6.713000000
   3.566000000
   1.839000000
  0.8579000000
  0.005315266600  0.002904419400  0.001528873900  0.000737191950
  0.029163969000  0.016036738000  0.008482623600  0.004136273200
  0.107040690000  0.060835799000  0.032366737000  0.015676586000
  0.268914320000  0.158717120000  0.085564656000  0.041922885000
  0.411682260000  0.254237130000  0.138139960000  0.067111912000
  0.304830350000  0.091019006000  0.029915895000  0.012805803000
  0.067104172000 -0.410715710000 -0.352961520000 -0.195767260000
 -0.010232762000 -0.547520340000 -0.465994520000 -0.249520990000
  0.001165992800 -0.174509950000  0.228974630000  0.200534180000
  0.004686194400 -0.001458978600  0.705932560000  0.644120680000
  0.002494585600 -0.000916562280  0.292425780000  0.091889485000
 -0.002062171000 -0.000202756740  0.022222259000 -0.707593700000
 -0.001209197200 -0.001413512900  0.000681596070 -0.489012020000
 -0.000202215450 -0.000066050927 -0.000339695990 -0.063212776000
   11    3
  288.971700      62.7619720      9.25183810
   1847.000000
   563.3000000
   222.6000000
   99.00000000
   47.21000000
   22.71000000
   11.25000000
   5.547000000
   2.767000000
   1.329000000
  0.5773000000
  0.011897651000  0.006720628000  0.003014399300
  0.074986681000  0.043769575000  0.019764236000
  0.248357610000  0.146165170000  0.066185021000
  0.436018560000  0.251807070000  0.113313410000
  0.346134240000  0.066999697000  0.010779189000
  0.091476375000 -0.414104050000 -0.256235800000
  0.000543913460 -0.523986910000 -0.292076300000
  0.000954672830 -0.173944700000  0.210573520000
  0.000148534160 -0.008728089000  0.579065910000
  0.000697600580 -0.000683132430  0.347044820000
  0.000014563983  0.000329424770  0.055853827000
    6    1
  33.6820530
   248.6000000
   86.41000000
   36.56000000
   16.60000000
   7.688000000
   3.377000000
  0.025107648000
  0.134344790000
  0.334791910000
  0.439291090000
  0.285747370000
  0.063026668000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PuQR(7K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Am.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.17e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on AmQR(10D)
*
 17.000000         4

   14    2
   27583898.90
   1676237.160
   166397.2070
   22982.61230
   3833.026830
   282.8787570
   50.67171540
   11.91650290
   3.535659810
   2.549887350
  0.6143576350
  0.2787807880
  0.6160426820E-01
  0.2545279160E-01
 -0.000057666065  0.000016169859
 -0.000353206987  0.000099040458
 -0.001719083480  0.000482042358
 -0.007548245680  0.002116349650
 -0.023163744500  0.006492796980
  0.114575423000 -0.032125219400
 -0.362850687000  0.102542604000
  0.825402075000 -0.240270065000
 -0.464903443000  0.153315443000
 -0.863869887000  0.271887070000
  0.943943694000 -0.442351365000
  0.424191861000 -0.305907651000
  0.013985010000  0.696053722000
  0.000568166309  0.506897834000
   10    1
   8706.244720
   1791.485020
   514.7747910
   71.60193660
   14.19966380
   3.933213000
   2.650172480
  0.6361336850
  0.2919899830
  0.1226809620
  0.000533779293
  0.013429164212
  0.038644811779
 -0.140157163043
  0.341285969469
 -0.247191494787
 -0.406783393104
  0.584381830151
  0.487752785157
  0.099617846654
   11    1
   1078.712080
   309.7853430
   112.7517120
   21.05464540
   10.63920300
   4.726648130
   2.401731960
  0.5202968580
  0.2123551050
  8.1762815200E-02
  3.0119674900E-02
 -0.002068132521
 -0.011735905387
 -0.027603024940
  0.065475780185
  0.042988176618
 -0.091879790655
 -0.143579589938
  0.228923416587
  0.387576703537
  0.427100266735
  0.221841992400
    9    1
   314.8954010
   106.7091740
   43.49492160
   18.89595320
   4.091309020
   1.948951740
  0.8959583860
  0.3782810310
  0.1374177350
 -0.005178416390
 -0.034271226532
 -0.101110424439
 -0.134136750800
  0.245574843637
  0.386639924594
  0.356489085694
  0.225640559458
  0.084304141003
    3    1
 3.38700000D+00
 1.09800000D+00
 3.14500000D-01
 5.41088025D-01
 5.35939375D-01
 2.45873310D-01
*
* Core AIMP: AmQR(10D)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   643821.7770
   163193.3910
   57514.27790
   21972.01920
   8831.474430
   3570.938080
   1478.380300
   688.8464190
   262.7716890
   129.9938560
   26.77636430
   17.67882360
   5.270283260
   2.899781850
   1.450607390

  0.049032440588
  0.036850855118
  0.056273833471
  0.081942965294
  0.108390352941
  0.141025551765
  0.244042576471
  0.318704341176
  0.255451724118
  0.815293805882
  1.137133100000
  0.346082747647
  0.643222041176
  0.326255844118
  0.028533119118
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  9303.41210      1775.21860      458.945900      122.365720      28.4529640
   10917413.00
   1104261.900
   198227.7600
   48175.93500
   14347.00200
   4942.394000
   1894.836700
   780.7416500
   352.3076100
   168.4400500
   73.48506700
   38.93926300
   17.73442000
   9.789639600
   4.539473300
   2.505019500
   1.218000000
  0.004735385100  0.002025350300  0.000989017880  0.000516606330  0.000259726690
  0.014496264000  0.006293247200  0.003096087700  0.001614395700  0.000812100900
  0.038562523000  0.017217386000  0.008453088500  0.004428650000  0.002227332000
  0.093870682000  0.043240883000  0.021538978000  0.011250025000  0.005664168200
  0.202458170000  0.098336389000  0.048925565000  0.025760757000  0.012968223000
  0.348204270000  0.182681300000  0.093695971000  0.049189428000  0.024818058000
  0.374021850000  0.214796750000  0.109251360000  0.058330051000  0.029415294000
  0.152016180000 -0.048995879000 -0.049177202000 -0.031808440000 -0.016676371000
 -0.018209472000 -0.533935810000 -0.490222480000 -0.297332270000 -0.156363780000
 -0.020156086000 -0.487086450000 -0.509574770000 -0.343336770000 -0.185316600000
  0.007461281100 -0.076308425000  0.548414880000  0.619266630000  0.383483890000
  0.020828396000  0.025897030000  0.747159820000  0.982742320000  0.652117050000
 -0.005845845100 -0.009433934800  0.120609490000 -0.578465690000 -0.604715470000
 -0.009405130600 -0.002424479800 -0.020719018000 -0.913717310000 -1.262026500000
  0.000513375800 -0.001473364200  0.006423700800 -0.114056870000  0.540564140000
  0.003601939300  0.003165727100 -0.001290868500  0.009338111500  0.981810340000
  0.000444822990  0.000108337120  0.000760637960 -0.001149572500  0.152397470000
   14    4
  1467.71170      373.080880      93.8721270      19.3030840
   32760.00000
   7336.000000
   2373.000000
   924.6000000
   403.7000000
   190.2000000
   91.58000000
   46.95000000
   23.85000000
   12.62800000
   6.656000000
   3.556000000
   1.824000000
  0.8289000000
  0.005449456200  0.002985606700  0.001575574200  0.000764197830
  0.029730300000  0.016384944000  0.008696950200  0.004259664300
  0.108869830000  0.062045053000  0.033100981000  0.016123494000
  0.272666750000  0.161283760000  0.087255649000  0.042946332000
  0.414009420000  0.255812410000  0.139237870000  0.068038285000
  0.300606610000  0.082326530000  0.023992076000  0.009589641900
  0.063084348000 -0.425610860000 -0.368048990000 -0.205138430000
 -0.010616309000 -0.542396410000 -0.457260660000 -0.245742370000
  0.001539406200 -0.163235230000  0.266748790000  0.232306930000
  0.004988115300  0.000967870090  0.708873910000  0.655496830000
  0.002189243400 -0.001270764400  0.265360480000  0.029088611000
 -0.002208996500 -0.000243144190  0.016035769000 -0.729484200000
 -0.001156437200 -0.001393484000  0.000923562890 -0.452055110000
 -0.000171757600 -0.000040173141 -0.000350850080 -0.051220384000
   11    3
  297.437040      64.8276020      9.27344030
   1871.000000
   570.3000000
   225.1000000
   99.90000000
   47.50000000
   22.71000000
   11.21000000
   5.472000000
   2.716000000
   1.291000000
  0.5442000000
  0.012228134000  0.006931351900  0.003134958000
  0.076756924000  0.045068449000  0.020438514000
  0.253306080000  0.149676330000  0.068272280000
  0.440378400000  0.255017990000  0.115061350000
  0.341234140000  0.054678876000  0.004136515200
  0.085608705000 -0.435546870000 -0.272601310000
 -0.000398490530 -0.517437390000 -0.280945710000
  0.001067189300 -0.155724060000  0.258659110000
  0.000178068920 -0.005302886100  0.581991060000
  0.000663599240 -0.000834599540  0.314792870000
  0.000002935208  0.000322132600  0.045640840000
    6    1
  35.0600810
   252.3000000
   87.70000000
   37.13000000
   16.89000000
   7.854000000
   3.464000000
  0.025974507000
  0.138139200000
  0.340410750000
  0.439355880000
  0.277685750000
  0.058709373000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AmQR(10D)-[Xe,4f,5d]
End of Spectral Representation Operator

/Cm.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.18e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on CmQR(9D)
*
 18.000000         4

   14    2
   30403851.40
   1835918.510
   180183.5380
   24520.44850
   3994.029360
   291.2578700
   52.32435550
   12.33898800
   3.695716350
   2.648342920
  0.6592220240
  0.3098016090
  0.7449075320E-01
  0.2924519310E-01
 -0.000058739070  0.000016585099
 -0.000358846228  0.000101320842
 -0.001741449350  0.000491702016
 -0.007655534090  0.002161502230
 -0.023842415300  0.006731164180
  0.116819058000 -0.033019068600
 -0.371766037000  0.105985515000
  0.851026902000 -0.250171050000
 -0.498710975000  0.163142136000
 -0.874107448000  0.283784535000
  0.959267601000 -0.458338337000
  0.428700069000 -0.330746667000
  0.011242024200  0.681602882000
 -0.002312732130  0.546031065000
   10    1
   9011.814070
   1848.948680
   530.0645010
   73.60841990
   14.69461360
   3.957959970
   2.697003520
  0.6736714180
  0.3105129280
  0.1269778570
  0.000493797842
  0.013956028848
  0.040204663608
 -0.145766504723
  0.354359861564
 -0.304785136451
 -0.373455679182
  0.613403730008
  0.479726136547
  0.082758173924
   11    1
   1107.346990
   317.9087470
   115.7823420
   21.77054450
   10.97305780
   5.060250750
   2.564419860
  0.5627115850
  0.2448887710
  0.1028907410
  4.1120702400E-02
 -0.002398606530
 -0.014995779026
 -0.035234227227
  0.083294217431
  0.056673761702
 -0.112659431206
 -0.187052223938
  0.289555453945
  0.438115968806
  0.361252533237
  0.130562940544
    9    1
   329.6182020
   111.7033720
   45.54196450
   19.79883070
   4.277386350
   2.046959660
  0.9644664420
  0.4322320450
  0.1730085770
 -0.005260793417
 -0.035730139339
 -0.106877142673
 -0.143743978747
  0.265387453873
  0.401076937744
  0.344070947576
  0.192922123484
  0.054626104098
    3    1
 3.68600000D+00
 1.27600000D+00
 4.06300000D-01
 5.40341383D-01
 5.24645904D-01
 2.21687147D-01
*
* Core AIMP: CmQR(9D)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   667994.7770
   168993.3910
   59455.47790
   22680.31920
   9108.494430
   3682.898080
   1525.808300
   710.9844190
   272.0846890
   134.1435560
   27.52286430
   18.21432360
   5.460243260
   3.022711850
   1.539354390

  0.046280471056
  0.034838246389
  0.053201062278
  0.077389611667
  0.102257975556
  0.133130827222
  0.230061038889
  0.300975033889
  0.239651223889
  0.772603150000
  1.096484550000
  0.303213406111
  0.615548883333
  0.301852385556
  0.025845467111
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  9549.01720      1829.71230      474.826160      127.615710      30.1812820
   12867413.00
   1291261.900
   230027.7600
   55475.93500
   16357.00200
   5579.394000
   2124.836700
   881.6416500
   385.4076100
   181.2400500
   77.51506800
   41.16926300
   18.61442000
   10.34164000
   4.816473300
   2.677019500
   1.310000000
  0.004562798900  0.001961810600  0.000958985830  0.000501931700  0.000253875150
  0.013839063000  0.006028172100  0.002967591200  0.001550971100  0.000784519890
  0.036384507000  0.016312157000  0.008015349000  0.004207092300  0.002129142700
  0.088029964000  0.040591850000  0.020226122000  0.010588932000  0.005359711000
  0.190782670000  0.092791285000  0.046179884000  0.024353257000  0.012338492000
  0.335726330000  0.174660620000  0.089428169000  0.047047783000  0.023853382000
  0.379709670000  0.218814980000  0.111564850000  0.059601082000  0.030281867000
  0.175970350000 -0.011531006000 -0.024261232000 -0.017375399000 -0.009400683700
 -0.009385961900 -0.512792350000 -0.463171040000 -0.280710340000 -0.148118580000
 -0.024446569000 -0.521002740000 -0.546632820000 -0.366043200000 -0.198839990000
  0.007538644800 -0.089456857000  0.502265120000  0.569575250000  0.355989420000
  0.021292504000  0.029873754000  0.775263750000  1.017882700000  0.677240350000
 -0.004776838500 -0.010793158000  0.133297360000 -0.527648860000 -0.558679440000
 -0.010484508000 -0.001729912400 -0.023832258000 -0.943414960000 -1.303575100000
  0.000506240800 -0.002213073400  0.007414970900 -0.125421140000  0.489093920000
  0.003730761000  0.003623754600 -0.001667248300  0.010220257000  1.013278400000
  0.000537094710  0.000092583061  0.000882644650 -0.001255585700  0.167762700000
   14    4
  1506.86560      384.938820      97.8110890      20.5691370
   34180.00000
   7640.000000
   2470.000000
   962.1000000
   420.6000000
   198.5000000
   95.88000000
   49.31000000
   25.25000000
   13.41700000
   7.137000000
   3.817000000
   1.971000000
  0.9179000000
  0.005421848300  0.002975561900  0.001575895900  0.000769640670
  0.029366111000  0.016224808000  0.008633800000  0.004259052700
  0.107337010000  0.061254595000  0.032787409000  0.016080972000
  0.269024110000  0.159330000000  0.086395645000  0.042827518000
  0.411304930000  0.254258400000  0.138881690000  0.068328246000
  0.305115640000  0.090656016000  0.029442746000  0.012512141000
  0.067321317000 -0.410493150000 -0.355783610000 -0.200010960000
 -0.010749908000 -0.547306190000 -0.468240330000 -0.254497710000
  0.001212207600 -0.174813500000  0.231792710000  0.208138510000
  0.005099295700 -0.001094031100  0.709987240000  0.661607080000
  0.002551898900 -0.000831830070  0.288451500000  0.075963415000
 -0.002236931500 -0.000342946450  0.021019036000 -0.719616140000
 -0.001267691900 -0.001459064700  0.000745087160 -0.478078490000
 -0.000205227610 -0.000071256716 -0.000342280860 -0.060032521000
   11    3
  306.970590      67.8687800      10.1560130
   1855.000000
   565.2000000
   223.5000000
   99.70000000
   47.76000000
   23.19000000
   11.59000000
   5.743000000
   2.879000000
   1.387000000
  0.6022000000
  0.013084163000  0.007474472200  0.003420433900
  0.081338764000  0.047937446000  0.021990075000
  0.262092650000  0.155867310000  0.071940643000
  0.441260170000  0.254686730000  0.115950740000
  0.329801240000  0.043286348000 -0.002215396600
  0.081306648000 -0.434967310000 -0.275873840000
  0.000192540080 -0.510339130000 -0.281598480000
  0.000720817890 -0.157606030000  0.252443260000
  0.000364706230 -0.006574328400  0.579486510000
  0.000622534930 -0.000700796560  0.320509960000
  0.000026312313  0.000300755500  0.047888432000
    6    1
  37.4018380
   264.0000000
   91.85000000
   38.95000000
   17.76000000
   8.280000000
   3.662000000
  0.025139505000
  0.134965980000
  0.336514090000
  0.440026700000
  0.281630070000
  0.060033882000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CmQR(9D)-[Xe,4f,5d]
End of Spectral Representation Operator

/Bk.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.19e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on BkQR(8H)
*
 19.000000         4

   14    2
   33287078.30
   1999748.820
   194358.9730
   26103.36300
   4154.088350
   299.7276850
   53.99930650
   12.77331370
   3.845048270
   2.747016450
  0.6896006810
  0.3238290690
  0.7744973640E-01
  0.3031488540E-01
 -0.000058737368  0.000016515336
 -0.000357671422  0.000100567113
 -0.001728698020  0.000486063536
 -0.007600947940  0.002137073030
 -0.024016935800  0.006751578040
  0.116642877000 -0.032823290700
 -0.373217127000  0.105947226000
  0.858577544000 -0.251395959000
 -0.526322348000  0.171185650000
 -0.853503703000  0.276047055000
  0.956642614000 -0.452997245000
  0.432724226000 -0.334353312000
  0.011469054900  0.680971902000
 -0.002357567650  0.546371339000
   10    1
   9310.603760
   1906.048860
   545.4193460
   75.69270580
   15.16180080
   4.375314460
   2.963021770
  0.6866633470
  0.3117947020
  0.1254148670
  0.000439114600
  0.014127563263
  0.040701639056
 -0.147369481952
  0.359131378896
 -0.221984391087
 -0.454022775651
  0.632449163219
  0.465776587270
  0.072727687131
   11    1
   1135.587450
   325.9772700
   118.8081190
   22.53940900
   11.67890030
   5.171977250
   2.661373470
  0.5776109260
  0.2466677080
  0.1012161090
  3.9368884300E-02
 -0.002209862732
 -0.014309516259
 -0.033570793289
  0.077935086841
  0.052803344807
 -0.106817919138
 -0.172843493306
  0.274177931174
  0.429213571600
  0.377881861576
  0.151038522125
    9    1
   343.2356390
   116.3333220
   47.45698790
   20.65849850
   4.474066770
   2.134953070
   1.001106800
  0.4467918390
  0.1781783340
 -0.005098465701
 -0.035935010076
 -0.108496515533
 -0.147278824050
  0.272549237873
  0.404974892049
  0.340336055226
  0.187357233931
  0.052303125476
    3    1
 3.86500000D+00
 1.33700000D+00
 4.24500000D-01
 5.47018485D-01
 5.20988792D-01
 2.17900104D-01
*
* Core AIMP: BkQR(8H)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   695324.7770
   175486.3910
   61706.37790
   23517.81920
   9432.684430
   3811.738080
   1578.341300
   734.6324190
   281.7676890
   138.3525560
   28.28806430
   18.70322360
   5.652183260
   3.128681850
   1.593268390

  0.043742972632
  0.032991641684
  0.050266123789
  0.073182639474
  0.096698813158
  0.125964983158
  0.217407168421
  0.285525506842
  0.225830692632
  0.734270331579
  1.059136010526
  0.266377754211
  0.589743489474
  0.280781405263
  0.023343628684
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  9799.46390      1885.19210      490.669780      132.548910      31.4980950
   12687413.00
   1268261.900
   224927.7600
   54095.93500
   15957.00200
   5450.394000
   2075.836700
   854.6416500
   382.0076100
   181.7400500
   78.79506800
   41.80926300
   19.09442000
   10.60264000
   4.972473300
   2.753019500
   1.348000000
  0.004916883400  0.002125220600  0.001040000200  0.000545429020  0.000277202110
  0.014818126000  0.006496932400  0.003201485000  0.001676822900  0.000852630260
  0.038792998000  0.017490850000  0.008605914900  0.004526205000  0.002301230900
  0.093049852000  0.043259474000  0.021582208000  0.011324283000  0.005763223800
  0.199073690000  0.097475132000  0.048587996000  0.025678223000  0.013067818000
  0.343445940000  0.180465460000  0.092570447000  0.048813390000  0.024892367000
  0.376178210000  0.214658730000  0.109071120000  0.058356508000  0.029745621000
  0.161128480000 -0.039207977000 -0.043504438000 -0.028624698000 -0.015232726000
 -0.016241546000 -0.525655060000 -0.480777050000 -0.292959240000 -0.155774100000
 -0.022425789000 -0.497136160000 -0.518364130000 -0.348970310000 -0.190394410000
  0.007828007100 -0.080965371000  0.532436810000  0.605824640000  0.380518600000
  0.022099725000  0.028293006000  0.755330620000  0.996739260000  0.670466840000
 -0.005869595700 -0.010386765000  0.125337130000 -0.559011060000 -0.599414840000
 -0.010316711000 -0.002411587200 -0.021907934000 -0.927450820000 -1.296968200000
  0.000539884610 -0.001787541700  0.006695956200 -0.119959040000  0.533975520000
  0.003880792800  0.003514823900 -0.001232579200  0.009321289300  0.996211960000
  0.000503377280  0.000116535010  0.000800985060 -0.001128619200  0.158349340000
   14    4
  1546.22020      396.559360      101.371140      21.4159300
   36110.00000
   8007.000000
   2580.000000
   1003.000000
   437.5000000
   206.0000000
   99.35000000
   51.05000000
   26.14000000
   13.90100000
   7.401000000
   3.965000000
   2.047000000
  0.9520000000
  0.005322688200  0.002927222900  0.001554845100  0.000763697120
  0.028866163000  0.015981190000  0.008528052900  0.004230161400
  0.105476860000  0.060285831000  0.032359391000  0.015960782000
  0.265685880000  0.157480040000  0.085608049000  0.042670082000
  0.410767710000  0.254145790000  0.139207250000  0.068886220000
  0.309518200000  0.096161605000  0.033008001000  0.014375513000
  0.069758322000 -0.404808460000 -0.352289180000 -0.199328020000
 -0.011032828000 -0.550754090000 -0.473620080000 -0.259464750000
  0.001168650500 -0.178516130000  0.224421940000  0.205275500000
  0.005279407400 -0.001191355900  0.712867810000  0.670021240000
  0.002655172900 -0.000806733130  0.291310170000  0.077364452000
 -0.002326406600 -0.000383200010  0.021228425000 -0.723909850000
 -0.001306366500 -0.001501507700  0.000761099950 -0.477117130000
 -0.000210158720 -0.000073665850 -0.000342470980 -0.059406355000
   11    3
  316.199150      70.5081610      10.6410550
   1845.000000
   561.9000000
   222.4000000
   99.40000000
   47.72000000
   23.29000000
   11.71000000
   5.836000000
   2.939000000
   1.422000000
  0.6181000000
  0.013914066000  0.007993020300  0.003691731200
  0.085660619000  0.050725810000  0.023441866000
  0.270911460000  0.161929930000  0.075408962000
  0.444108340000  0.255650170000  0.116891760000
  0.319326040000  0.027200487000 -0.011264566000
  0.074981434000 -0.447424260000 -0.286980510000
  0.000015387534 -0.499550910000 -0.272304750000
  0.000591794190 -0.148497470000  0.273037250000
  0.000479117050 -0.005920879700  0.576006710000
  0.000582113920 -0.000631218350  0.309203970000
  0.000034803133  0.000267688800  0.045232591000
    6    1
  39.3367340
   270.9000000
   94.30000000
   40.02000000
   18.28000000
   8.551000000
   3.796000000
  0.025340190000
  0.136020330000
  0.338527550000
  0.440284380000
  0.278199110000
  0.058103210000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BkQR(8H)-[Xe,4f,5d]
End of Spectral Representation Operator

/Cf.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.20e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on CfQR(7K)
*
 20.000000         4

   14    2
   36580619.00
   2185020.440
   210140.1450
   27819.14910
   4319.891720
   307.9862730
   55.80657030
   13.17079450
   4.212821210
   2.896634610
  0.7233067520
  0.3401872490
  0.7962855340E-01
  0.3111168680E-01
 -0.000058458866  0.000016307342
 -0.000355056895  0.000099044318
 -0.001710600960  0.000477180464
 -0.007529075030  0.002100166050
 -0.024143748100  0.006733772500
  0.116379975000 -0.032492706600
 -0.373258136000  0.105143113000
  0.869022732000 -0.252622859000
 -0.450074491000  0.144818818000
 -0.941144875000  0.302270976000
  0.945958270000 -0.440852955000
  0.444950733000 -0.339918896000
  0.012193101800  0.679574171000
 -0.002599221440  0.544716436000
   10    1
   9664.823560
   1970.372080
   561.8056000
   77.80273920
   15.63592500
   4.818962900
   3.171815340
  0.7051326640
  0.3165054170
  0.1256002470
  0.000368239316
  0.014246880038
  0.041165327753
 -0.148723389863
  0.363425831548
 -0.170461348670
 -0.504829939899
  0.642276444155
  0.458775942791
  0.067221586883
   11    1
   1162.376910
   333.6236970
   121.7315740
   23.41382480
   12.52094390
   5.292181620
   2.766633450
  0.5945431250
  0.2503566930
  0.1012327810
  3.8821564500E-02
 -0.002074368491
 -0.014083741604
 -0.032913672322
  0.074101001360
  0.051677487784
 -0.103551355913
 -0.165500331072
  0.268871983736
  0.426179205598
  0.384342078226
  0.159853574654
    9    1
   354.9504570
   120.4353760
   49.22880970
   21.49455860
   4.672986860
   2.220182780
   1.033832210
  0.4591126650
  0.1829497080
 -0.005082383413
 -0.036345040020
 -0.110069151276
 -0.150144541367
  0.279537418820
  0.410194315048
  0.337115153091
  0.180507878577
  0.048773450726
    3    1
 4.04800000D+00
 1.40300000D+00
 4.45900000D-01
 5.52454114D-01
 5.17218463D-01
 2.14539447D-01
*
* Core AIMP: CfQR(7K)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   642675.7770
   167578.3910
   60459.47790
   23442.01920
   9479.944430
   3851.758080
   1608.352300
   752.7264190
   289.7976890
   142.5095560
   29.02656430
   18.99792360
   5.837583260
   3.226071850
   1.641249390

  0.043638759800
  0.031778967900
  0.047887579600
  0.069502037000
  0.091750352000
  0.119770194500
  0.206664103000
  0.269163508500
  0.213698542500
  0.698062355000
  1.032290275000
  0.227042328000
  0.567453290000
  0.260469842000
  0.020827868250
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  10055.2980      1942.10640      506.907320      137.588770      32.8264190
   14507413.00
   1441261.900
   254127.7600
   60645.93500
   17747.00200
   6019.394000
   2281.836700
   943.9416500
   411.7076100
   193.4400500
   82.79506800
   43.99926300
   19.92442000
   11.12464000
   5.214473300
   2.897019500
   1.418000000
  0.004838367800  0.002102531800  0.001029927500  0.000541163260  0.000276342170
  0.014427905000  0.006351011800  0.003131459200  0.001643515600  0.000839479520
  0.037397069000  0.016936280000  0.008340474100  0.004394365000  0.002245032000
  0.089162936000  0.041544933000  0.020733801000  0.010901533000  0.005572627900
  0.190712140000  0.093611817000  0.046686512000  0.024712717000  0.012638390000
  0.333695170000  0.174463820000  0.089380857000  0.047217639000  0.024179178000
  0.379424700000  0.217002390000  0.110468930000  0.059161837000  0.030320531000
  0.179529300000 -0.012081258000 -0.025681797000 -0.018310954000 -0.009960872700
 -0.009161793900 -0.509263790000 -0.460397030000 -0.280484000000 -0.149632540000
 -0.025983001000 -0.521717710000 -0.544873040000 -0.365447850000 -0.200311630000
  0.007921266700 -0.091033156000  0.494923270000  0.565931180000  0.357923980000
  0.022586507000  0.031240434000  0.778318930000  1.024246800000  0.690941230000
 -0.004977569600 -0.011293698000  0.136061040000 -0.520570020000 -0.567226510000
 -0.011315645000 -0.002044768300 -0.025025189000 -0.949865310000 -1.326989700000
  0.000638019430 -0.002252202100  0.007700381900 -0.127244730000  0.510501770000
  0.003965234700  0.003840351500 -0.001606207600  0.010131358000  1.011292900000
  0.000566930970  0.000105242240  0.000905700700 -0.001235782700  0.165012210000
   14    4
  1586.17720      408.360420      104.970520      22.2538800
   37340.00000
   8254.000000
   2657.000000
   1031.600000
   449.8000000
   211.9000000
   102.2400000
   52.57000000
   26.94000000
   14.35500000
   7.655000000
   4.106000000
   2.118000000
  0.9826000000
  0.005364985100  0.002956927900  0.001575063100  0.000777880610
  0.028933146000  0.016054276000  0.008591436200  0.004283098800
  0.105422920000  0.060376170000  0.032498768000  0.016116052000
  0.265425980000  0.157563880000  0.085886307000  0.043026160000
  0.410170890000  0.253930570000  0.139427420000  0.069366972000
  0.310085220000  0.096789666000  0.033371792000  0.014560663000
  0.070505439000 -0.402930920000 -0.352153040000 -0.200452650000
 -0.011379142000 -0.551300710000 -0.475414940000 -0.262175090000
  0.001213743500 -0.179951200000  0.221958250000  0.205899280000
  0.005436766500 -0.001056756700  0.714262320000  0.677238170000
  0.002747247900 -0.000802531680  0.292231230000  0.074859396000
 -0.002426372700 -0.000429317550  0.021251892000 -0.729029050000
 -0.001337795700 -0.001539155600  0.000742450330 -0.474224640000
 -0.000213058540 -0.000074327735 -0.000336658580 -0.058029853000
   11    3
  325.536160      73.1622360      11.1121710
   1854.000000
   564.0000000
   223.1000000
   99.80000000
   47.99000000
   23.54000000
   11.89000000
   5.943000000
   2.994000000
   1.448000000
  0.6275000000
  0.014496462000  0.008373522800  0.003899403900
  0.088847656000  0.052839547000  0.024589323000
  0.277677050000  0.166803750000  0.078306368000
  0.446077470000  0.256232980000  0.117651480000
  0.311279480000  0.014970930000 -0.018366230000
  0.070427376000 -0.456168250000 -0.295725670000
 -0.000032362340 -0.491823460000 -0.265245880000
  0.000470824980 -0.141586110000  0.292146640000
  0.000589038720 -0.005252028700  0.575143290000
  0.000543681140 -0.000599523140  0.297037150000
  0.000040141719  0.000246194650  0.041590869000
    6    1
  41.2788090
   285.1000000
   99.29000000
   42.17000000
   19.28000000
   9.025000000
   4.006000000
  0.024180896000
  0.131603430000
  0.333324920000
  0.441817390000
  0.283921650000
  0.059908495000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CfQR(7K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Es.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.21e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on EsQR(6L)
*
 21.000000         4

   14    2
   39917068.00
   2373196.130
   226116.9900
   29550.10870
   4480.626210
   315.4357890
   57.58180650
   13.65885230
   4.171224560
   2.959812540
  0.7475597700
  0.3483639570
  0.8211389590E-01
  0.3190449840E-01
 -0.000058272773  0.000016091628
 -0.000352864519  0.000097440756
 -0.001693675220  0.000467698911
 -0.007454007410  0.002058231240
 -0.024224357600  0.006687707700
  0.116268450000 -0.032127361500
 -0.374112489000  0.104312050000
  0.869627273000 -0.250203786000
 -0.564415734000  0.179631728000
 -0.823372787000  0.261549392000
  0.955767615000 -0.439754722000
  0.433875874000 -0.334315458000
  0.011239277700  0.675194690000
 -0.002313941370  0.548423989000
   10    1
   9982.799850
   2029.876890
   577.8711000
   79.91486240
   16.17860930
   4.495506270
   3.070028350
  0.7488843510
  0.3393048390
  0.1363133220
  0.000306731670
  0.014389802138
  0.041548819222
 -0.150089258699
  0.364453031492
 -0.296859763751
 -0.382850932357
  0.619241996180
  0.476897657171
  0.078009353309
   11    1
   1192.013550
   341.9020050
   124.7271740
   24.34054230
   13.07742170
   5.788197870
   2.965038880
  0.6089972260
  0.2557690420
  0.1031967840
  3.9316149500E-02
 -0.001953565556
 -0.014057406747
 -0.032800318004
  0.071587446722
  0.055037570070
 -0.092120764617
 -0.173593836852
  0.268437821562
  0.421669919698
  0.386217353786
  0.165352373465
    9    1
   368.9200910
   125.1970390
   51.19691680
   22.37176540
   4.882739930
   2.325871070
   1.086807980
  0.4846455470
  0.1940392390
 -0.005014436893
 -0.036447560428
 -0.111382355520
 -0.153256578467
  0.283880315590
  0.410226217277
  0.333442505463
  0.178176529139
  0.048497624272
    3    1
 4.23300000D+00
 1.47000000D+00
 4.67900000D-01
 5.57514540D-01
 5.13787405D-01
 2.11003624D-01
*
* Core AIMP: EsQR(6L)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   666868.7770
   173656.3910
   62585.77790
   24246.01920
   9798.884430
   3980.538080
   1661.979300
   777.2104190
   299.8946890
   146.8903560
   29.85306430
   19.54932360
   6.043213260
   3.334051850
   1.691225390

  0.041522749905
  0.030261185000
  0.045574028143
  0.066072364762
  0.087192080476
  0.113920611905
  0.196348665238
  0.256513740476
  0.202533791905
  0.666705480952
  0.996074657143
  0.202640018095
  0.545166552381
  0.244893689048
  0.018866101190
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  10316.7010      2000.51690      523.560400      142.746900      34.1745660
   15037413.00
   1484261.900
   260727.7600
   62015.93500
   18077.00200
   6106.394000
   2306.836700
   949.1416500
   418.0076100
   197.1400500
   85.01506800
   45.10926300
   20.47442000
   11.44864000
   5.386473300
   2.985019500
   1.460000000
  0.005065483600  0.002212950500  0.001085070800  0.000571224360  0.000292955280
  0.014989973000  0.006637203800  0.003275308200  0.001722299200  0.000883747950
  0.038531003000  0.017539701000  0.008646683900  0.004564576600  0.002341816600
  0.091179889000  0.042757188000  0.021358619000  0.011251479000  0.005778598400
  0.193944390000  0.095672926000  0.047767084000  0.025335696000  0.013010108000
  0.336873900000  0.177103140000  0.090806258000  0.048056935000  0.024729654000
  0.378760700000  0.215040580000  0.109221240000  0.058585862000  0.030124036000
  0.174173960000 -0.023686446000 -0.034043990000 -0.023313890000 -0.012591321000
 -0.012439931000 -0.514543080000 -0.467482450000 -0.285666480000 -0.153314090000
 -0.025438351000 -0.511855080000 -0.532927990000 -0.358676230000 -0.197364070000
  0.008131231400 -0.086924690000  0.506710700000  0.581448990000  0.369397680000
  0.023377815000  0.030325530000  0.771247290000  1.016682800000  0.691553390000
 -0.005640889600 -0.010923715000  0.132798450000 -0.537474870000 -0.593953740000
 -0.011404304000 -0.002674931300 -0.024719069000 -0.940930470000 -1.324392900000
  0.000719900270 -0.001904205000  0.007547879300 -0.123996960000  0.543634720000
  0.004091020300  0.003776139800 -0.001431238000  0.009736580200  0.998968640000
  0.000548284380  0.000126950370  0.000877895900 -0.001180179900  0.157610820000
   14    4
  1626.75010      420.351300      108.616990      23.0898030
   38980.00000
   8617.000000
   2768.000000
   1072.500000
   466.5000000
   219.3000000
   105.8200000
   54.41000000
   27.93000000
   14.89400000
   7.960000000
   4.266000000
   2.199000000
   1.018600000
  0.005318677600  0.002937014500  0.001568995000  0.000778626160
  0.028514234000  0.015856773000  0.008507675700  0.004262282800
  0.103910990000  0.059596710000  0.032167502000  0.016028775000
  0.262786200000  0.156167390000  0.085323400000  0.042952559000
  0.409887180000  0.253854670000  0.139757820000  0.069869278000
  0.313445830000  0.101178940000  0.036174469000  0.016072384000
  0.072466560000 -0.397281460000 -0.348389340000 -0.199496780000
 -0.011506233000 -0.553722060000 -0.480296380000 -0.266651970000
  0.001049028900 -0.184008670000  0.212567730000  0.200768790000
  0.005672427800 -0.001548605700  0.716183040000  0.684667910000
  0.002839774100 -0.000643189100  0.297128620000  0.079720809000
 -0.002488264400 -0.000524394750  0.022192934000 -0.732220620000
 -0.001391344300 -0.001566559500  0.000647889670 -0.474910410000
 -0.000217323320 -0.000081972833 -0.000318421860 -0.057872401000
   11    3
  334.988680      75.8379550      11.5754380
   1848.000000
   563.1000000
   223.6000000
   100.5000000
   48.51000000
   23.89000000
   12.13000000
   6.102000000
   3.081000000
   1.492000000
  0.6456000000
  0.015316508000  0.008891609500  0.004169833200
  0.092543666000  0.055293517000  0.025908908000
  0.283234770000  0.170897950000  0.080801781000
  0.445577470000  0.255643960000  0.117899910000
  0.304688520000  0.005251543900 -0.024249805000
  0.067390181000 -0.462183150000 -0.302513480000
 -0.000187578100 -0.484761350000 -0.259986070000
  0.000443854770 -0.137212730000  0.302950110000
  0.000639183830 -0.005288557200  0.573362940000
  0.000536836190 -0.000502870500  0.291321860000
  0.000042825452  0.000211814040  0.040182335000
    6    1
  43.2347610
   296.0000000
   103.2300000
   43.91000000
   20.11000000
   9.430000000
   4.190000000
  0.023708708000
  0.129652630000
  0.330924120000
  0.442531280000
  0.286032610000
  0.060274026000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EsQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Fm.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.22e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on FmQR(5L)
*
 22.000000         4

   14    2
   45422829.40
   2686061.150
   253089.4250
   32487.75200
   4672.175510
   329.5293670
   59.48323560
   14.21201040
   4.318807640
   3.070110380
  0.7833748900
  0.3645063270
  0.8473733120E-01
  0.3279085430E-01
 -0.000058784397  0.000016105259
 -0.000354685556  0.000097173168
 -0.001694464120  0.000464240801
 -0.007490376780  0.002051926110
 -0.025563014400  0.007001559660
  0.116190512000 -0.031842504600
 -0.377887879000  0.104516565000
  0.878634387000 -0.250858738000
 -0.600747583000  0.190146759000
 -0.793093939000  0.249301343000
  0.950727779000 -0.432271968000
  0.439515528000 -0.334920927000
  0.011623902100  0.672331565000
 -0.002443365650  0.548485215000
   10    1
   10324.59050
   2093.528500
   594.5404170
   82.10593490
   16.69238950
   4.776218110
   3.277911740
  0.7672073790
  0.3455860690
  0.1384736000
  0.000240485438
  0.014509271344
  0.041924753406
 -0.151217007521
  0.367083921235
 -0.259011351118
 -0.417354486791
  0.625347039525
  0.469795176387
  0.075697038852
   11    1
   1216.667140
   349.4885440
   127.8199240
   24.97933150
   13.28069680
   6.064756460
   3.084563800
  0.6299281470
  0.2630622120
  0.1054202600
  3.9846969400E-02
 -0.001904903720
 -0.014059735698
 -0.032654532733
  0.072285663747
  0.055148753766
 -0.091959424800
 -0.172200349097
  0.265869490892
  0.420170086874
  0.389074185407
  0.169906088789
    9    1
   383.2537540
   129.9986020
   53.15508170
   23.24629910
   5.097071030
   2.431903770
   1.137383070
  0.5074959600
  0.2033284940
 -0.004980430773
 -0.036536848053
 -0.112611858435
 -0.156004340899
  0.287558302767
  0.410824412420
  0.330799651330
  0.175936797113
  0.047896003407
    3    1
 4.42000000D+00
 1.53700000D+00
 4.89500000D-01
 5.62123228D-01
 5.10708577D-01
 2.07957718D-01
*
* Core AIMP: FmQR(5L)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   692501.7770
   179120.3910
   64027.77790
   24628.21920
   9928.604430
   4043.198080
   1697.598300
   796.8144190
   308.3356890
   151.2136560
   30.64496430
   19.82442360
   6.239123260
   3.434481850
   1.738007390

  0.039629382500
  0.029113308864
  0.044057173136
  0.063704380000
  0.083415106818
  0.108877207273
  0.187630032727
  0.243339475909
  0.192758044545
  0.636712054545
  0.970478763636
  0.173885186818
  0.525758740909
  0.229122600000
  0.016973089182
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  10583.8680      2060.49240      540.655120      148.038460      35.5536390
   16347413.00
   1611261.900
   281427.7600
   66605.93500
   19327.00200
   6501.394000
   2444.836700
   1002.241700
   437.8076100
   205.4400500
   88.26506800
   46.82926300
   21.27442000
   11.92464000
   5.639473300
   3.120019500
   1.524000000
  0.005140834700  0.002258003900  0.001108179000  0.000584415040  0.000300999970
  0.015060639000  0.006701833500  0.003309409100  0.001743610800  0.000898342970
  0.038395367000  0.017561207000  0.008665019600  0.004581869700  0.002360923600
  0.090087212000  0.042426272000  0.021205430000  0.011192976000  0.005771600100
  0.190681730000  0.094401481000  0.047165008000  0.025055354000  0.012923160000
  0.332421780000  0.174784670000  0.089587889000  0.047501818000  0.024537528000
  0.380609420000  0.215515610000  0.109448070000  0.058749882000  0.030351528000
  0.182234060000 -0.014876053000 -0.028747536000 -0.020274646000 -0.011095541000
 -0.010540639000 -0.508610100000 -0.460398610000 -0.281803480000 -0.151787960000
 -0.026812495000 -0.519597800000 -0.540391900000 -0.363348530000 -0.200880840000
  0.008097295100 -0.090270320000  0.494376120000  0.569282500000  0.364011600000
  0.024180952000  0.031626136000  0.778064360000  1.026737200000  0.701409950000
 -0.005563707700 -0.011327529000  0.136218660000 -0.521973680000 -0.582873040000
 -0.011930619000 -0.002736609800 -0.025372933000 -0.950939460000 -1.344597500000
  0.000701564170 -0.002059416400  0.007635557400 -0.127872920000  0.535826150000
  0.004252209700  0.003947807700 -0.001346105500  0.009643455800  1.008723200000
  0.000577616130  0.000136265220  0.000887035110 -0.001169573500  0.159981500000
   14    4
  1667.95540      432.544740      112.321440      23.9329660
   40720.00000
   8954.000000
   2867.000000
   1108.400000
   481.6000000
   226.3000000
   109.1300000
   56.12000000
   28.83000000
   15.39700000
   8.240000000
   4.422000000
   2.279000000
   1.054300000
  0.005292138100  0.002928630900  0.001568762700  0.000782223230
  0.028329450000  0.015786429000  0.008492192200  0.004273613600
  0.103233350000  0.059315375000  0.032100346000  0.016070641000
  0.261433420000  0.155543700000  0.085190032000  0.043077793000
  0.409130880000  0.253568150000  0.139936790000  0.070289538000
  0.315473130000  0.103595960000  0.037725231000  0.016900192000
  0.074001282000 -0.393841830000 -0.346774760000 -0.199652480000
 -0.011873306000 -0.555141850000 -0.483208930000 -0.269922540000
  0.001071496400 -0.186450860000  0.207494760000  0.199119260000
  0.005822115400 -0.001602825300  0.717842960000  0.691402000000
  0.002963348700 -0.000599747660  0.299426950000  0.080329645000
 -0.002587611900 -0.000575367790  0.022444424000 -0.735112600000
 -0.001428803600 -0.001607847100  0.000649550540 -0.474393450000
 -0.000223926910 -0.000085844848 -0.000317822470 -0.057554127000
   11    3
  344.567120      78.5453720      12.0390220
   1901.000000
   579.0000000
   230.0000000
   103.5000000
   50.03000000
   24.67000000
   12.54000000
   6.302000000
   3.181000000
   1.539000000
  0.6643000000
  0.015242372000  0.008886050900  0.004195201900
  0.092055934000  0.055224958000  0.026038414000
  0.281831330000  0.170742380000  0.081266367000
  0.444465420000  0.256221360000  0.118898300000
  0.306321520000  0.008237088700 -0.022934958000
  0.068687032000 -0.460805670000 -0.304891970000
 -0.000241263700 -0.487191110000 -0.262807360000
  0.000474788640 -0.137537570000  0.308428820000
  0.000649700600 -0.005030082200  0.574182240000
  0.000550688480 -0.000572673930  0.287404320000
  0.000040908352  0.000218865370  0.039023533000
    6    1
  45.2143740
   304.3000000
   106.1300000
   45.17000000
   20.72000000
   9.743000000
   4.341000000
  0.023747322000
  0.130097610000
  0.332039610000
  0.442838570000
  0.283869510000
  0.058984333000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FmQR(5L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Md.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.23e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on MdQR(4K)
*
 23.000000         4

   14    2
   50468688.00
   2969624.930
   276997.6040
   35006.82880
   4841.466060
   338.6477980
   61.61269640
   14.69424220
   4.601862230
   3.206480640
  0.8211662790
  0.3817037870
  0.8712316270E-01
  0.3362062400E-01
 -0.000059093676  0.000016063780
 -0.000355555754  0.000096652198
 -0.001692394980  0.000460059575
 -0.007498279070  0.002038085380
 -0.026343141200  0.007159258700
  0.116908806000 -0.031793685400
 -0.379417282000  0.104132807000
  0.888205067000 -0.251603025000
 -0.575457352000  0.179349101000
 -0.828415786000  0.259678012000
  0.942646226000 -0.423028472000
  0.449296632000 -0.337859955000
  0.012143740600  0.670494727000
 -0.002621651430  0.547344278000
   10    1
   10673.44810
   2158.180880
   611.5925360
   84.36180840
   17.19812700
   4.979546770
   3.368351600
  0.8019524480
  0.3612676370
  0.1447024900
  0.000171719107
  0.014630443495
  0.042284868578
 -0.152214902258
  0.370083517443
 -0.265799904796
 -0.413334002186
  0.615040201610
  0.478080454248
  0.079834926293
   11    1
   1253.356650
   359.4188630
   131.3159890
   25.69081470
   13.95697420
   6.006867410
   3.142548140
  0.6514796470
  0.2685067550
  0.1062645520
  3.9804432200E-02
 -0.001800893424
 -0.013907655713
 -0.032425205165
  0.071387892446
  0.052073065884
 -0.096309268174
 -0.161483816126
  0.263164994415
  0.421116648619
  0.392232276316
  0.173424869023
    9    1
   397.3338710
   134.7443640
   55.10801730
   24.12730170
   5.316786650
   2.542631100
   1.191450200
  0.5322461170
  0.2133179630
 -0.004939651044
 -0.036654006850
 -0.113767459481
 -0.158537418447
  0.290598347839
  0.410754191476
  0.328391758435
  0.174489544307
  0.047713974919
    3    1
 4.60600000D+00
 1.60300000D+00
 5.10700000D-01
 5.66806856D-01
 5.07596880D-01
 2.05030089D-01
*
* Core AIMP: MdQR(4K)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   703610.7770
   178911.3910
   63368.77790
   24289.91920
   9746.444430
   3951.598080
   1676.386300
   798.1294190
   310.5526890
   155.1584560
   31.33456430
   19.24452360
   6.377093260
   3.466671850
   1.731077390

  0.038434467609
  0.028679658783
  0.043209498957
  0.062140043478
  0.081173808696
  0.106607227826
  0.182834529565
  0.226307423913
  0.184720423913
  0.604833278261
  0.961721460870
  0.135437044348
  0.515610313043
  0.206454064348
  0.013141106304
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  10857.0010      2122.09870      558.211480      153.472120      36.9687700
   17867413.00
   1732261.900
   300327.7600
   70755.93500
   20377.00200
   6800.394000
   2544.836700
   1042.641700
   453.2076100
   212.4400500
   91.28506700
   48.44926300
   21.91442000
   12.33764000
   5.863473300
   3.241019500
   1.583000000
  0.005237019000  0.002312835200  0.001136110800  0.000600193490  0.000310365060
  0.015294374000  0.006840709100  0.003380078200  0.001784021300  0.000922849180
  0.038569228000  0.017729643000  0.008756135500  0.004638144900  0.002399483800
  0.089861739000  0.042514656000  0.021261033000  0.011242109000  0.005820233200
  0.190084050000  0.094513454000  0.047262284000  0.025150426000  0.013024010000
  0.331652480000  0.174654820000  0.089508946000  0.047535945000  0.024653258000
  0.380754160000  0.215005560000  0.109114560000  0.058648992000  0.030415463000
  0.184949740000 -0.014006129000 -0.028698033000 -0.020345184000 -0.011186558000
 -0.009572513700 -0.506572970000 -0.458578610000 -0.281224700000 -0.152135500000
 -0.028005561000 -0.520515370000 -0.539822590000 -0.363257080000 -0.201618440000
  0.008483754700 -0.091403174000  0.488608840000  0.565532320000  0.363582180000
  0.024692086000  0.032379742000  0.781181000000  1.029348800000  0.706747710000
 -0.005543820800 -0.011632136000  0.138531870000 -0.521201260000 -0.590618660000
 -0.012445196000 -0.002822943700 -0.027209393000 -0.949928030000 -1.349649500000
  0.000840812660 -0.002106867000  0.008260593900 -0.128112970000  0.545150860000
  0.004344539500  0.004076291000 -0.001508698600  0.009356607400  1.008045400000
  0.000601717460  0.000141821420  0.000939026740 -0.001124101600  0.159220290000
   14    4
  1709.80330      444.946420      116.088080      24.7870010
   42760.00000
   9391.000000
   3003.000000
   1159.300000
   503.1000000
   236.1000000
   113.5700000
   58.35000000
   29.99000000
   16.01900000
   8.582000000
   4.607000000
   2.372000000
   1.095700000
  0.005215689000  0.002892487800  0.001553769100  0.000778132970
  0.027733430000  0.015483089000  0.008348799600  0.004219727400
  0.100984720000  0.058109839000  0.031530268000  0.015853420000
  0.256995880000  0.152973450000  0.083952532000  0.042633231000
  0.407046710000  0.252547090000  0.139757560000  0.070512457000
  0.321232480000  0.111337890000  0.042867329000  0.019673695000
  0.078376297000 -0.383920650000 -0.339405100000 -0.196451720000
 -0.012351900000 -0.559815170000 -0.490449460000 -0.275875250000
  0.001083053500 -0.193043190000  0.192296930000  0.189558960000
  0.005871419400 -0.002275313500  0.720615410000  0.698099640000
  0.003226457700 -0.000466265650  0.306966660000  0.091839608000
 -0.002710095100 -0.000634104950  0.023591713000 -0.736442640000
 -0.001470873700 -0.001657165200  0.000646160990 -0.478880750000
 -0.000237332420 -0.000093923589 -0.000317460420 -0.058368384000
   11    3
  354.274820      81.2878470      12.5061940
   1992.000000
   606.1000000
   240.7000000
   108.3000000
   52.37000000
   25.83000000
   13.15000000
   6.630000000
   3.351000000
   1.621000000
  0.6988000000
  0.014647938000  0.008570707400  0.004068230700
  0.088906174000  0.053533897000  0.025401299000
  0.275335600000  0.167424860000  0.080134915000
  0.442322950000  0.257288950000  0.120406170000
  0.313717490000  0.020554045000 -0.016464150000
  0.073392316000 -0.451799180000 -0.301822890000
 -0.000146530490 -0.494549550000 -0.273792500000
  0.000519374300 -0.144278720000  0.297007090000
  0.000628885760 -0.005899709300  0.577131470000
  0.000594528770 -0.000574586350  0.294827180000
  0.000041174715  0.000212929160  0.040955451000
    6    1
  47.2207790
   315.1000000
   109.9200000
   46.81000000
   21.50000000
   10.12800000
   4.518000000
  0.023394647000
  0.128897070000
  0.330894010000
  0.443461920000
  0.284622250000
  0.058845287000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MdQR(4K)-[Xe,4f,5d]
End of Spectral Representation Operator

/No.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.24e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on NoQR(3H)
*
 24.000000         4

   14    2
   55862222.30
   3273682.470
   302677.5110
   37699.73290
   5007.138640
   348.6910240
   63.77703750
   15.22383030
   4.773288250
   3.323958820
  0.8544963750
  0.3959103360
  0.9031440000E-01
  0.3473092770E-01
 -0.000059570885  0.000016124057
 -0.000357262015  0.000096699449
 -0.001693234950  0.000458315416
 -0.007514128210  0.002033598390
 -0.027204564600  0.007361520440
  0.117357997000 -0.031773819100
 -0.380904436000  0.104088442000
  0.894199551000 -0.252299212000
 -0.602492593000  0.187075532000
 -0.805374754000  0.251194171000
  0.943257465000 -0.420547666000
  0.448378613000 -0.337737521000
  0.012088734400  0.669514123000
 -0.002589345610  0.548033586000
   10    1
   11037.74910
   2225.127570
   629.0114530
   86.63142890
   17.72665310
   5.323218090
   3.562379570
  0.8273164280
  0.3723656140
  0.1492180690
  0.000097626594
  0.014747233570
  0.042641307918
 -0.153262668873
  0.372845835031
 -0.230888214108
 -0.447110366866
  0.613078682027
  0.477456984866
  0.080903147525
   11    1
   1285.393120
   368.4395320
   134.6483690
   26.46027310
   14.46948900
   6.236788420
   3.265608450
  0.6661691610
  0.2707153820
  0.1054038220
  3.8788087400E-02
 -0.001726948636
 -0.013468519712
 -0.031395013300
  0.068655823817
  0.050489331089
 -0.091853096765
 -0.155224892326
  0.255634450470
  0.415635943948
  0.400288015225
  0.186856862017
    9    1
   411.1830350
   139.4338300
   57.05562050
   25.01509890
   5.536292020
   2.649612540
   1.241693960
  0.5548382390
  0.2226178300
 -0.004929362210
 -0.036800908335
 -0.114865042082
 -0.160882635349
  0.294053737863
  0.411785217321
  0.326136495175
  0.171902598719
  0.046604336972
    3    1
 4.79900000D+00
 1.67400000D+00
 5.34300000D-01
 5.70379252D-01
 5.04809016D-01
 2.02541846D-01
*
* Core AIMP: NoQR(3H)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   648694.7770
   169338.3910
   61184.87790
   23946.51920
   9784.344430
   4021.098080
   1721.938300
   822.1664190
   320.6326890
   159.7366560
   32.21386430
   19.64162360
   6.601393260
   3.591471850
   1.793290390

  0.038773467750
  0.028172480792
  0.041843167500
  0.059181511250
  0.076783562500
  0.101412220833
  0.174274418333
  0.216292236667
  0.176474048333
  0.580739916667
  0.931020725000
  0.120005236667
  0.495355095833
  0.197151517083
  0.012520394375
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  11136.3130      2185.40130      576.245410      159.052050      38.4211930
   20177413.00
   1943261.900
   333527.7600
   77935.93500
   22297.00200
   7391.394000
   2748.836700
   1124.241600
   480.9076100
   223.5400500
   95.18506800
   50.54926300
   22.85442000
   12.90964000
   6.150473300
   3.408019500
   1.665000000
  0.005214236700  0.002315344400  0.001138296200  0.000602322640  0.000312669600
  0.015118144000  0.006793310100  0.003358325300  0.001775727500  0.000921979520
  0.037872248000  0.017487892000  0.008643463000  0.004585311400  0.002381466700
  0.087512075000  0.041542784000  0.020780921000  0.011008401000  0.005720028600
  0.184460060000  0.091998208000  0.046029191000  0.024527326000  0.012751946000
  0.324720110000  0.170740880000  0.087426840000  0.046510078000  0.024204923000
  0.382534300000  0.215940360000  0.109677320000  0.058988005000  0.030722007000
  0.198115210000  0.002140053600 -0.018525382000 -0.014436950000 -0.008129660800
 -0.004413227600 -0.494691500000 -0.445012480000 -0.273146110000 -0.148216540000
 -0.030662293000 -0.535366870000 -0.554370540000 -0.372095130000 -0.207298930000
  0.008617020900 -0.098314371000  0.465733400000  0.541843490000  0.350491420000
  0.025245050000  0.034823786000  0.793549940000  1.045274400000  0.719956370000
 -0.004886026000 -0.012458528000  0.144899970000 -0.491505390000 -0.564126330000
 -0.013354328000 -0.002569483100 -0.028425751000 -0.967717510000 -1.375543600000
  0.000854351260 -0.002541948200  0.008495969300 -0.135322160000  0.518507640000
  0.004479384500  0.004385506700 -0.001508155400  0.009885776600  1.024307600000
  0.000670388640  0.000146463330  0.000976692550 -0.001201698600  0.167403450000
   14    4
  1752.29900      457.556930      119.916390      25.6519150
   43990.00000
   9621.000000
   3070.000000
   1183.500000
   513.2000000
   240.8000000
   115.9000000
   59.55000000
   30.58000000
   16.36400000
   8.770000000
   4.720000000
   2.432000000
   1.122900000
  0.005293529000  0.002941880000  0.001584067900  0.000796835120
  0.028064002000  0.015703320000  0.008490602500  0.004307841300
  0.101870080000  0.058744448000  0.031952813000  0.016135758000
  0.258485050000  0.154139930000  0.084818200000  0.043240522000
  0.407684150000  0.253001090000  0.140258960000  0.071068275000
  0.319687240000  0.108354350000  0.040782120000  0.018525920000
  0.076961036000 -0.388045010000 -0.344415510000 -0.200251040000
 -0.012633038000 -0.558416620000 -0.488836480000 -0.276190080000
  0.001157456100 -0.190084520000  0.202346120000  0.199703640000
  0.006154561800 -0.001262296000  0.721854490000  0.705089960000
  0.003156399400 -0.000608195720  0.300033530000  0.073201637000
 -0.002799112600 -0.000659783600  0.022161759000 -0.741720560000
 -0.001490973800 -0.001691804900  0.000651739100 -0.469254600000
 -0.000234232640 -0.000088859386 -0.000315896390 -0.056082219000
   11    3
  364.109980      84.0640590      12.9772480
   2025.000000
   615.9000000
   244.6000000
   110.1000000
   53.26000000
   26.30000000
   13.42000000
   6.783000000
   3.432000000
   1.662000000
  0.7162000000
  0.014898790000  0.008754505800  0.004180567200
  0.090117333000  0.054481091000  0.025991192000
  0.277754500000  0.169566400000  0.081644483000
  0.443114800000  0.258061070000  0.121255900000
  0.310934890000  0.015305685000 -0.019854265000
  0.071489128000 -0.457374710000 -0.308243340000
 -0.000304993580 -0.490288450000 -0.269542270000
  0.000507485110 -0.140047970000  0.308970480000
  0.000673388830 -0.005633409200  0.574993970000
  0.000588709210 -0.000536782560  0.288194890000
  0.000042685815  0.000194087070  0.039448352000
    6    1
  49.2524540
   326.1000000
   113.8600000
   48.55000000
   22.33000000
   10.53300000
   4.702000000
  0.023046446000
  0.127459770000
  0.329125300000
  0.444163080000
  0.286015970000
  0.058915331000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NoQR(3H)-[Xe,4f,5d]
End of Spectral Representation Operator

/Lr.ECP.Seijo.14s10p11d9f3g.2s1p1d1f1g.25e-CG-AIMP.
L.Seijo, Z.Barandiaran, E. Harguindey, J.Chem.Phys 114(2001)118. Relativistic.
Spin-orbit corrected according LS, JCP 102(1995)8078. 6s5p5d4f1g recommended
*
* core=[Xe,4f,5d]
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on LrQR(2D)
*
 25.000000         4

   14    2
   62503247.20
   3638942.640
   332360.0370
   40668.36190
   5172.722050
   359.0060540
   66.01698870
   15.76165060
   4.951531910
   3.420573560
  0.8942626120
  0.4142578440
  0.9438274550E-01
  0.3628559810E-01
 -0.000059519294  0.000016138983
 -0.000356622396  0.000096699233
 -0.001687368000  0.000457548999
 -0.007515948410  0.002037661510
 -0.028076839500  0.007610715820
  0.117554432000 -0.031871874500
 -0.381712883000  0.104473537000
  0.899940683000 -0.254431623000
 -0.639790751000  0.198896089000
 -0.774931687000  0.242338584000
  0.936776740000 -0.416369317000
  0.456769766000 -0.345595419000
  0.012621208200  0.671010946000
 -0.002699920840  0.548041755000
   10    1
   11414.14150
   2294.562960
   647.0502530
   88.96062550
   18.25933340
   5.656957010
   3.742222370
  0.8509737670
  0.3817752640
  0.1525372840
  0.000017774217
  0.014859640169
  0.042998676523
 -0.154235383841
  0.375562003263
 -0.207320450547
 -0.469575541315
  0.614219737024
  0.475601321144
  0.079923106079
   11    1
   1316.466770
   377.1631820
   137.8857610
   27.45267890
   15.54370170
   6.281477510
   3.347378980
  0.6789135660
  0.2697670590
  0.1016755620
  3.6040114600E-02
 -0.001570682750
 -0.012458398937
 -0.028987733473
  0.060835730698
  0.046629775199
 -0.085817668910
 -0.138037004558
  0.235546206845
  0.401275857053
  0.418371054873
  0.220039883991
    9    1
   425.0851540
   144.1659280
   59.02646920
   25.91235590
   5.763027210
   2.765390420
   1.299659210
  0.5824924320
  0.2344956760
 -0.004943044835
 -0.036938218645
 -0.115910283064
 -0.163145828834
  0.296589561890
  0.411665840560
  0.324086498032
  0.170232640510
  0.045826719606
    3    1
 4.99300000D+00
 1.74600000D+00
 5.59600000D-01
 5.74096713D-01
 5.01937071D-01
 1.99428325D-01
*
* Core AIMP: LrQR(2D)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   677165.7770
   176992.3910
   64008.17790
   25056.31920
   10232.08440
   4200.448080
   1792.159300
   851.9044190
   332.0006890
   164.4493560
   33.10586430
   19.85012360
   6.815053260
   3.707731850
   1.853445390

  0.037055599840
  0.026864382400
  0.039859081480
  0.056392488000
  0.073320083200
  0.096908870000
  0.166597460000
  0.208928979600
  0.169147366800
  0.559021832000
  0.903544900000
  0.105909255600
  0.477474424000
  0.187134944400
  0.011840330440
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  11422.0360      2250.47880      594.782440      164.790890      39.9198370
   20957413.00
   2013261.900
   344227.7600
   80105.93500
   22887.00200
   7586.394000
   2819.836700
   1151.641700
   494.0076100
   229.8400500
   97.76506800
   51.92926300
   23.44442000
   13.25864000
   6.302473300
   3.484019500
   1.702000000
  0.005460964800  0.002438587800  0.001199808000  0.000635902490  0.000331276930
  0.015671400000  0.007082355100  0.003503825700  0.001855762200  0.000967172480
  0.038980147000  0.018097762000  0.008951717700  0.004756554600  0.002478927900
  0.089268109000  0.042625513000  0.021340982000  0.011324155000  0.005907083400
  0.186144410000  0.093319966000  0.046720208000  0.024936953000  0.013008000000
  0.324992160000  0.171513740000  0.087879059000  0.046822183000  0.024466794000
  0.381348560000  0.214258590000  0.108555480000  0.058447873000  0.030518757000
  0.196896490000 -0.002606199900 -0.022013240000 -0.016558843000 -0.009247415400
 -0.005444860300 -0.495440480000 -0.446915490000 -0.274936110000 -0.149921700000
 -0.031066976000 -0.532376420000 -0.548408610000 -0.368458300000 -0.205803970000
  0.008976586500 -0.097305507000  0.471644400000  0.551513900000  0.358149650000
  0.025907895000  0.035446541000  0.789131440000  1.039105100000  0.720541450000
 -0.005387913300 -0.012875610000  0.142766170000 -0.507997040000 -0.591831540000
 -0.013603116000 -0.002717493400 -0.028848913000 -0.959313770000 -1.369088800000
  0.001101058500 -0.002388635600  0.008648604700 -0.130363430000  0.564177860000
  0.004537461100  0.004441449700 -0.001494333700  0.009909016200  1.002715800000
  0.000641250850  0.000126110560  0.000974703800 -0.001197125000  0.156361740000
   14    4
  1795.45600      470.385110      123.813810      26.5350410
   45550.00000
   9941.000000
   3170.000000
   1221.900000
   529.5000000
   248.2000000
   119.5700000
   61.42000000
   31.56000000
   16.88300000
   9.047000000
   4.878000000
   2.514000000
   1.161100000
  0.005319299900  0.002961522900  0.001598715300  0.000807463870
  0.028038089000  0.015725741000  0.008523294900  0.004340399800
  0.101318190000  0.058520409000  0.031910029000  0.016178035000
  0.256907970000  0.153418380000  0.084608953000  0.043293168000
  0.407065740000  0.252633030000  0.140357250000  0.071400845000
  0.321577690000  0.110887820000  0.042406781000  0.019394642000
  0.078227011000 -0.384102630000 -0.342016170000 -0.199728550000
 -0.012705993000 -0.560157600000 -0.492389310000 -0.279797910000
  0.000973076110 -0.192786970000  0.197550840000  0.198159830000
  0.006463953000 -0.001423692300  0.724798090000  0.712184470000
  0.003183729200 -0.000512051700  0.301077370000  0.071314936000
 -0.002861111000 -0.000737559800  0.022016106000 -0.743819450000
 -0.001541940700 -0.001724797800  0.000686488210 -0.467867880000
 -0.000238075580 -0.000094641707 -0.000321419700 -0.055970334000
   11    3
  374.078970      86.8805860      13.4594200
   2096.000000
   636.8000000
   252.7000000
   113.7000000
   55.01000000
   27.18000000
   13.89000000
   7.036000000
   3.565000000
   1.728000000
  0.7452000000
  0.014643679000  0.008637131100  0.004145928000
  0.088803080000  0.053881462000  0.025839255000
  0.275262490000  0.168663790000  0.081633162000
  0.442413080000  0.259011370000  0.122400880000
  0.313774650000  0.019792145000 -0.017676039000
  0.073265143000 -0.454890300000 -0.309245770000
 -0.000324517670 -0.492620460000 -0.273477900000
  0.000529064080 -0.141763850000  0.308058950000
  0.000679027390 -0.005940716000  0.575078430000
  0.000611980570 -0.000534004640  0.289534810000
  0.000043693132  0.000186095250  0.040046289000
    6    1
  51.3157590
   339.2000000
   118.4600000
   50.53000000
   23.26000000
   10.98500000
   4.907000000
  0.022443963000
  0.125165380000
  0.326472470000
  0.444937350000
  0.288699810000
  0.059689115000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LrQR(2D)-[Xe,4f,5d]
End of Spectral Representation Operator

*
********************************************************************************
*         C.1.3.2.b. Actinide Elements (core [Xe,4f])                          *
********************************************************************************
*
/Th.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.22e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* ThQR5I ThQR5I-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: ThQR5I-[Xe,4f]
* mv+dw from ThQR(5I)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  ThQR5I ThQR5I-[Xe,4f] (14s10p12d9f)
*     BkSOC: 2.5*Bk(3d,4d) rather than so-correct the basis set
*
 22.000000         4

   14    2
   17395501.40
   1089581.360
   114047.0740
   16817.64780
   3106.597480
   243.2112300
   43.04516880
   9.948192310
   2.409017720
   1.544177640
  0.5096120520
  0.2397729330
  0.6272799470E-01
  0.2631612460E-01
  0.000055884385  0.000017397865
  0.000348261114  0.000108420411
  0.001729485540  0.000538420024
  0.007594328000  0.002364302940
  0.021797474200  0.006786131270
 -0.112724112000 -0.035140916000
  0.349283722000  0.109739357000
 -0.774966039000 -0.250621816000
  1.029411960000  0.371807881000
  0.307952345000  0.111944536000
 -0.952354103000 -0.512653557000
 -0.456915841000 -0.372879249000
 -0.012159323400  0.727802933000
  0.004337020430  0.531120351000
   10    1
   7340.286790
   1530.635470
   444.2938840
   62.02119180
   12.02549590
   2.775090960
   1.696262090
  0.5458569810
  0.2605061120
  0.1106376230
  0.001969183550
  0.012782052800
  0.036659100100
 -0.133600274000
  0.322527970000
 -0.453740652000
 -0.223594464000
  0.569812357000
  0.514360821000
  0.109388356000
   12    2
   1976.140930
   569.9631120
   211.2708690
   88.19542330
   19.30437720
   10.00239430
   3.722886580
   1.953838680
  0.9379186230
  0.3756748850
  0.1415796480
  0.4987820920E-01
  0.002056725060 -0.000506884700
  0.015941695400 -0.003912234680
  0.062708796800 -0.015482413400
  0.113541855000 -0.027747157700
 -0.245110924000  0.063809888300
 -0.239452060000  0.056518191500
  0.307910304000 -0.097561657600
  0.539303982000 -0.174851283000
  0.280630960000 -0.006310625530
  0.032110224800  0.348657113000
 -0.001933191320  0.529980568000
  0.000322505184  0.319519877000
    9    1
   258.5646220
   87.39797460
   35.40105140
   15.16264560
   3.021222980
   1.332957960
  0.5599876260
  0.2150523410
  0.7332516850E-01
 -0.004337680780
 -0.027387231900
 -0.078202296000
 -0.101939435000
  0.205953531000
  0.358983476000
  0.373670402000
  0.295249699000
  0.155881533000
    3    1
 2.28200000D+00
 6.34000000D-01
 1.56800000D-01
 5.09850012D-01
 5.61288429D-01
 3.34071114D-01
*
* Core AIMP: ThQR5I ThQR5I-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   604109.7900
   147480.1100
   50471.43100
   18859.53200
   7449.083500
   2962.494600
   1217.828600
   571.0999400
   210.2835900
   108.9870400
   23.14747600
   14.08416200
   5.761694300
   3.511439600
   2.005724000

  0.035471059091
  0.027798079545
  0.043085570455
  0.063531063636
  0.084237704545
  0.109033904545
  0.191100472727
  0.235432322727
  0.202761118182
  0.591668727273
  0.737991636364
  0.340657331818
  0.244384227273
  0.167212336364
  0.016543513636
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  8151.30600      1524.70050      387.736120      100.429020      22.8149940
   9867413.300
   1023261.900
   187427.7600
   46335.93500
   13957.00200
   4843.394000
   1869.836700
   788.4416500
   334.3076100
   155.4400500
   64.92506700
   34.58926300
   15.52442000
   8.500639600
   3.914473300
   2.175019500
   1.065000000
  0.003645194300  0.001520224000  0.000737816040  0.000380924500  0.000185825950
  0.011546807000  0.004867644700  0.002382245500  0.001227762900  0.000597616340
  0.031681346000  0.013782932000  0.006720632600  0.003479121400  0.001699580900
  0.079937147000  0.035582689000  0.017616960000  0.009094335500  0.004426110100
  0.179556230000  0.084755116000  0.041848137000  0.021758561000  0.010647095000
  0.327166570000  0.165610640000  0.084318979000  0.043763562000  0.021313967000
  0.382863400000  0.225309670000  0.115310080000  0.060824089000  0.029942468000
  0.190518690000  0.025978413000  0.002836995800 -0.001391983800 -0.001320750600
  0.000319572890 -0.497480810000 -0.440000990000 -0.261576070000 -0.131900410000
 -0.023774599000 -0.551366720000 -0.585065580000 -0.384710650000 -0.201742990000
  0.006428751200 -0.100207430000  0.470000020000  0.517584420000  0.310878120000
  0.017314803000  0.030897550000  0.795470860000  1.032510800000  0.647718820000
 -0.002655888900 -0.011203758000  0.140254090000 -0.473707850000 -0.451562790000
 -0.009047175700  0.000443758520 -0.022565867000 -0.963754110000 -1.252439100000
 -0.000001397484 -0.003186418500  0.007286545900 -0.137829010000  0.295305250000
  0.003050112200  0.003507428700 -0.002101007300  0.010556303000  1.066322600000
  0.000599828720  0.000045530508  0.000924339790 -0.001376804200  0.218906040000
   14    4
  1283.46380      319.305500      77.6344830      15.6487660
   27220.00000
   6149.000000
   2008.000000
   788.1000000
   346.1000000
   163.7000000
   78.91000000
   40.46000000
   20.54000000
   10.80900000
   5.679000000
   2.984000000
   1.532000000
  0.7140000000
  0.005420158600  0.002936145000  0.001524704000  0.000712238080
  0.030236180000  0.016473503000  0.008604931100  0.004069376500
  0.111320630000  0.062815705000  0.032984099000  0.015481483000
  0.277351880000  0.162850550000  0.086765939000  0.041228318000
  0.414528070000  0.255142630000  0.136866820000  0.064412435000
  0.293574710000  0.075396654000  0.020098137000  0.007802559500
  0.059901820000 -0.431616360000 -0.364761240000 -0.195284770000
 -0.009239179200 -0.537651020000 -0.446369250000 -0.229428930000
  0.001343064600 -0.159381790000  0.264009450000  0.213636120000
  0.004042242000 -0.000408702160  0.696837610000  0.606679110000
  0.002049490000 -0.001154563500  0.274331480000  0.071811334000
 -0.001746514900 -0.000022983782  0.019302759000 -0.688668850000
 -0.001040876100 -0.001256641100  0.000782051730 -0.487317060000
 -0.000175736390 -0.000046092259 -0.000371109820 -0.063277383000
   11    2
  635.730000      131.840000
   1874.000000
   572.8000000
   226.2000000
   100.3000000
   47.55000000
   22.80000000
   11.17000000
   5.505000000
   2.659000000
   1.252000000
  0.5380000000
  0.009311498400  0.005163126400
  0.060753647000  0.034578211000
  0.213727680000  0.123273410000
  0.414071860000  0.237406670000
  0.383431990000  0.126916400000
  0.124565360000 -0.333171410000
  0.004691986300 -0.549652300000
  0.000895246070 -0.239516220000
 -0.000065931272 -0.022265784000
  0.000769001180  0.000025112792
  0.000031893081  0.000248306080
    6    1
  26.3524680
   207.7000000
   71.89000000
   30.24000000
   13.61000000
   6.230000000
   2.706000000
  0.028065035000
  0.144866030000
  0.345646210000
  0.435057000000
  0.276459890000
  0.061991674000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ThQR(5I)-[Xe,4f,5d]
End of Spectral Representation Operator

/Pa.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.23e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* PaQR6L PaQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: PaQR6L-[Xe,4f]
* mv+dw from PaQR(6L)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  PaQR6L PaQR6L-[Xe,4f] (14s10p12d9f)
*     BkSOC: 0.92*Bk(3d,4d),0.68*Bk(4f) rather than so-correct the basis set
*
 23.000000         4

   14    2
   19024992.90
   1184505.760
   122713.4780
   17876.34380
   3241.596130
   250.7917630
   44.48250690
   10.33641410
   2.518135210
   1.542194500
  0.5310909350
  0.2439810840
  0.5515731900E-01
  0.2313570920E-01
  0.000056044370  0.000016047874
  0.000347897646  0.000099617846
  0.001719947080  0.000492492159
  0.007547185930  0.002161080260
  0.021933168200  0.006280039340
 -0.112474490000 -0.032240963900
  0.350072202000  0.101104195000
 -0.778195057000 -0.231037226000
  1.063983170000  0.351184678000
  0.264488182000  0.085373421300
 -0.936084468000 -0.442124837000
 -0.466680373000 -0.346954883000
 -0.012892115000  0.701421696000
  0.002756358000  0.515845158000
   10    1
   7591.018440
   1579.342300
   457.6996330
   63.83845970
   12.46030600
   2.910928350
   1.845970560
  0.5463819690
  0.2533618110
  0.1069211950
  0.001969076000
  0.012754232500
  0.036589934200
 -0.133336140000
  0.321419069000
 -0.438945343000
 -0.216836495000
  0.583813931000
  0.498474398000
  0.099751697000
   12    2
   2024.754380
   583.8746630
   216.6457200
   90.61949590
   20.01578230
   10.50463040
   3.793065690
   2.002782720
  0.9663713390
  0.3899077200
  0.1428506610
  0.4844229910E-01
  0.002118006140 -0.000508531864
  0.016386145700 -0.003922082690
  0.064122298900 -0.015417302500
  0.115945026000 -0.027657370800
 -0.244671407000  0.061750291600
 -0.242865397000  0.055587177700
  0.328426823000 -0.101901652000
  0.528905486000 -0.163620703000
  0.269164711000  0.000639038735
  0.032090676700  0.334888527000
 -0.001375974390  0.524130780000
  0.000162849804  0.349513280000
    9    1
   267.8777720
   90.62024670
   36.80945870
   15.85230300
   3.218149560
   1.434188610
  0.6072357800
  0.2329665840
  0.7715383920E-01
 -0.004591613980
 -0.029071410800
 -0.082985010900
 -0.108200414000
  0.215946432000
  0.370911820000
  0.372917275000
  0.277550823000
  0.144266943000
    3    1
 2.46100000D+00
 6.95000000D-01
 1.70000000D-01
 5.25977024D-01
 5.58331036D-01
 3.12100133D-01
*
* Core AIMP: PaQR6L PaQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   623940.4900
   151431.2500
   51609.14100
   19233.69200
   7587.888500
   3016.338600
   1243.153600
   584.5322400
   215.4351900
   112.3070100
   23.68334600
   13.92971400
   5.492575300
   3.175047700
   1.658673400

  0.034023105652
  0.026807044348
  0.041561107391
  0.061142747826
  0.080805226087
  0.104865452174
  0.183821317391
  0.223686013043
  0.194465743478
  0.564854391304
  0.740436043478
  0.304901926087
  0.279128565217
  0.112031943478
  0.003991117913
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  8372.20870      1572.17930      401.091150      104.421150      23.7113770
   10017413.00
   1032261.900
   188127.7600
   46375.93500
   13947.00200
   4836.394000
   1866.836700
   786.2416500
   339.1076100
   158.6400500
   67.13506800
   35.73926300
   16.19442000
   8.875639600
   4.127473300
   2.279019500
   1.106000000
  0.003853659500  0.001614935000  0.000784919160  0.000406168540  0.000199496310
  0.012148553000  0.005152755500  0.002524040900  0.001304403400  0.000639291480
  0.033144818000  0.014491479000  0.007078610500  0.003672381200  0.001806305100
  0.082988844000  0.037213867000  0.018442600000  0.009548214800  0.004678962400
  0.184811230000  0.087738176000  0.043411094000  0.022620068000  0.011145514000
  0.332270050000  0.169633290000  0.086475778000  0.045022224000  0.022076515000
  0.380749320000  0.223489450000  0.114437460000  0.060464056000  0.029981269000
  0.181295730000  0.011809086000 -0.006770922300 -0.006760138200 -0.004064368800
 -0.003325004400 -0.503536490000 -0.447651800000 -0.267416020000 -0.135827230000
 -0.023202571000 -0.540318490000 -0.574354590000 -0.378982140000 -0.200447380000
  0.006275183900 -0.096859972000  0.473525450000  0.521598320000  0.316087690000
  0.018196946000  0.029624260000  0.792974250000  1.035358400000  0.655251040000
 -0.002903465500 -0.010421234000  0.141380810000 -0.462428220000 -0.445105070000
 -0.009288753400 -0.000383634730 -0.021849011000 -0.973037240000 -1.278607300000
 -0.000119341490 -0.002875523000  0.006879654000 -0.141899620000  0.296419550000
  0.003243941400  0.003402334700 -0.001761752900  0.009859620800  1.077563600000
  0.000602550320  0.000101234890  0.000868478840 -0.001298721700  0.215637260000
   14    4
  1318.95910      329.499480      80.5904950      16.1836630
   27530.00000
   6219.000000
   2029.000000
   795.2000000
   348.8000000
   164.9000000
   79.63000000
   40.82000000
   20.65000000
   10.87600000
   5.692000000
   3.013000000
   1.543000000
  0.7060000000
  0.005618521800  0.003050885800  0.001588686300  0.000748591030
  0.031131828000  0.017008638000  0.008919649400  0.004248210600
  0.114124400000  0.064580905000  0.034016300000  0.016100854000
  0.282513480000  0.166388020000  0.089017466000  0.042606924000
  0.416502490000  0.256281510000  0.137715050000  0.065358360000
  0.287200600000  0.064433326000  0.012786853000  0.003989614800
  0.055341501000 -0.445226450000 -0.378895090000 -0.204484570000
 -0.009232804200 -0.530405810000 -0.435959810000 -0.225393900000
  0.001454653000 -0.149891020000  0.295331450000  0.240244550000
  0.004395616800  0.001315455600  0.696400170000  0.616623130000
  0.001782099400 -0.001386023900  0.253289340000  0.024223836000
 -0.001831697800 -0.000060226157  0.014850584000 -0.709523530000
 -0.001030019000 -0.001253954100  0.000941381760 -0.456924580000
 -0.000152261100 -0.000028850940 -0.000369901370 -0.053557189000
   11    2
  241.490000      50.5100000
   1869.000000
   571.3000000
   225.6000000
   100.0000000
   47.41000000
   22.67000000
   11.12000000
   5.474000000
   2.663000000
   1.251000000
  0.5286000000
  0.009889599800  0.005503370800
  0.063915405000  0.036641010000
  0.222076170000  0.128688180000
  0.420870120000  0.242175770000
  0.375333560000  0.112360510000
  0.115130340000 -0.358043400000
  0.002966889700 -0.545521520000
  0.001026075200 -0.218613740000
 -0.000057681178 -0.017256341000
  0.000763559970 -0.000229032070
  0.000019740353  0.000268311070
    6    1
  18.9000000
   217.3000000
   75.28000000
   31.71000000
   14.30000000
   6.564000000
   2.857000000
  0.027344398000
  0.142439610000
  0.343474710000
  0.436517410000
  0.278033510000
  0.061587542000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PaQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/U.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.24e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* UQR5K UQR5K-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: UQR5K-[Xe,4f]
* mv+dw from UQR(5K)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  UQR5K UQR5K-[Xe,4f] (14s10p12d9f)
*     BkSOC: 2.0*Bk(3d,4d) rather than so-correct the basis set
*
 24.000000         4

   14    2
   20939315.10
   1294673.900
   132564.6360
   19043.07870
   3383.971390
   258.5440650
   45.96595890
   10.72203870
   2.673875640
   1.737706020
  0.5663120640
  0.2690939990
  0.6650714520E-01
  0.2656034300E-01
  0.000057499782  0.000017083332
  0.000355844944  0.000105722525
  0.001753338670  0.000520919871
  0.007699279670  0.002287499310
  0.022682462400  0.006738913200
 -0.115319509000 -0.034308203300
  0.360606271000  0.108154523000
 -0.806346115000 -0.249039075000
  1.048461980000  0.360411391000
  0.315695227000  0.110239027000
 -0.953697047000 -0.485967254000
 -0.456837396000 -0.352411223000
 -0.012837233700  0.694023805000
  0.002607223840  0.545704166000
   10    1
   7869.846670
   1631.964920
   471.6581460
   65.73569380
   12.87210610
   3.229230380
   2.201207980
  0.5631861060
  0.2589407950
  0.1048541440
  0.002051067080
  0.013284145200
  0.038185283900
 -0.138948800000
  0.336932199000
 -0.340937520000
 -0.330575072000
  0.637132711000
  0.467890406000
  0.071014121200
   12    2
   2089.098540
   601.8534460
   223.2020450
   93.35564480
   20.61004950
   10.81226300
   4.039686090
   2.157281860
   1.057719470
  0.4464264270
  0.1749143460
  0.6193629770E-01
  0.002135718820 -0.000586582480
  0.016517981400 -0.004515029510
  0.064878813800 -0.017854730000
  0.117398436000 -0.031940574700
 -0.251822085000  0.073369086900
 -0.245769201000  0.064597318600
  0.317081962000 -0.115488384000
  0.530028589000 -0.190202289000
  0.277090363000 -0.009851570060
  0.035504600900  0.366775412000
 -0.001260547180  0.532678129000
  0.000271465373  0.293300182000
    9    1
   281.7140740
   95.19198950
   38.57643990
   16.59474280
   3.509992340
   1.669313810
  0.7750548700
  0.3365304670
  0.1286120450
 -0.005088624590
 -0.032754605200
 -0.095300575800
 -0.124758053000
  0.227999083000
  0.373783620000
  0.365743459000
  0.240316121000
  0.084323746300
    3    1
 2.94000000D+00
 9.70000000D-01
 2.90000000D-01
 5.05666652D-01
 5.48559007D-01
 2.65006284D-01
*
* Core AIMP: UQR5K UQR5K-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   663359.1900
   159651.8500
   53738.62100
   19865.47200
   7792.300500
   3085.656600
   1271.932900
   599.1485400
   221.2788900
   115.8045700
   24.31089600
   13.99226200
   5.503184300
   3.076137700
   1.247660800

  0.032173711250
  0.025773360417
  0.040044046250
  0.058942279167
  0.077828495833
  0.101162158333
  0.177061958333
  0.213149845833
  0.186099916667
  0.541137958333
  0.731924416667
  0.276823929167
  0.284300612500
  0.086149350000
  0.000761293125
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  8598.24680      1621.45680      415.431530      109.161230      25.2788060
   10227413.00
   1048261.900
   190527.7600
   46825.93500
   14047.00200
   4862.394000
   1873.836700
   785.9416500
   342.8076100
   161.1400500
   68.91506800
   36.58926300
   16.62442000
   9.125639600
   4.241473300
   2.359019500
   1.154000000
  0.004060309600  0.001710120400  0.000832275140  0.000431776090  0.000213577540
  0.012704755000  0.005419872400  0.002657579000  0.001376646700  0.000680042230
  0.034415457000  0.015125581000  0.007399427700  0.003849195200  0.001906125200
  0.085590601000  0.038637655000  0.019169874000  0.009947530500  0.004914607900
  0.189186820000  0.090335778000  0.044772627000  0.023396728000  0.011604042000
  0.336457220000  0.172973900000  0.088294541000  0.046068545000  0.022783024000
  0.379354660000  0.221970560000  0.113629910000  0.060224401000  0.030029792000
  0.173776840000 -0.002300471500 -0.016497706000 -0.012451654000 -0.006878979200
 -0.007013483800 -0.512236020000 -0.458501910000 -0.274920860000 -0.141036730000
 -0.022562110000 -0.527468320000 -0.560588510000 -0.372075280000 -0.198139930000
  0.006483211900 -0.091427328000  0.490157870000  0.542437360000  0.330693760000
  0.018925440000  0.028127979000  0.784183680000  1.027443500000  0.658923530000
 -0.003539934800 -0.009807473300  0.136746180000 -0.485964450000 -0.478064300000
 -0.009368063600 -0.001115367100 -0.021301141000 -0.962656950000 -1.282381300000
 -0.000051722930 -0.002509405800  0.006664836200 -0.136740260000  0.341135550000
  0.003376798000  0.003346782300 -0.001634987300  0.010149549000  1.063104800000
  0.000584884400  0.000122392440  0.000852868730 -0.001287857200  0.205727850000
   14    4
  1355.64930      340.523150      84.2430730      17.3579420
   29900.00000
   6708.000000
   2180.000000
   852.8000000
   373.6000000
   176.4000000
   85.16000000
   43.74000000
   22.32000000
   11.79300000
   6.238000000
   3.296000000
   1.697000000
  0.7940000000
  0.005300549900  0.002883221900  0.001507854500  0.000716524190
  0.029401962000  0.016094734000  0.008460455800  0.004067903400
  0.108316060000  0.061317902000  0.032416035000  0.015475282000
  0.271797560000  0.159984080000  0.085740822000  0.041421424000
  0.413059040000  0.254629150000  0.137524990000  0.065848409000
  0.300815010000  0.086039154000  0.026830506000  0.011203187000
  0.064422132000 -0.417049510000 -0.355206790000 -0.193811800000
 -0.009584347000 -0.544374960000 -0.459347990000 -0.241619700000
  0.001105746700 -0.170032290000  0.237164870000  0.200812500000
  0.004392488200 -0.001468033900  0.701823340000  0.625567710000
  0.002302771100 -0.000960204940  0.289449820000  0.094112445000
 -0.001873623600 -0.000117049390  0.021979209000 -0.695426290000
 -0.001145473000 -0.001340346100  0.000696400950 -0.494368390000
 -0.000193595470 -0.000061558096 -0.000349524620 -0.065596069000
   11    2
  542.890000      115.500000
   1863.000000
   568.8000000
   224.5000000
   99.50000000
   47.19000000
   22.53000000
   11.05000000
   5.412000000
   2.661000000
   1.265000000
  0.5482000000
  0.010514627000  0.005876841700
  0.067457344000  0.038928705000
  0.231145730000  0.134614850000
  0.427491280000  0.246544650000
  0.365964610000  0.096270624000
  0.105678450000 -0.383243060000
  0.001606367300 -0.540231510000
  0.001095562700 -0.197420500000
 -0.000025615921 -0.012193954000
  0.000757241600 -0.000588634260
  0.000005932262  0.000349589680
    6    1
  30.0303550
   226.7000000
   78.62000000
   33.17000000
   15.00000000
   6.912000000
   3.023000000
  0.026753150000
  0.140410060000
  0.341432410000
  0.437106540000
  0.279505740000
  0.061653028000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
UQR(5K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Np.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.25e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* NpQR6L NpQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: NpQR6L-[Xe,4f]
* mv+dw from NpQR(6L)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  NpQR6L NpQR6L-[Xe,4f] (14s10p12d9f)
*     BkSOC: 1.7*Bk(3d,4d) rather than so-correct the basis set
*
 25.000000         4

   14    2
   22892794.40
   1407683.520
   142738.1370
   20254.35420
   3528.561040
   266.5347010
   47.47959480
   11.12518380
   2.795761420
   1.764888800
  0.5989720650
  0.2832455670
  0.6811815540E-01
  0.2710225850E-01
  0.000058129431  0.000016974458
  0.000358345731  0.000104641062
  0.001757443990  0.000513192316
  0.007712571970  0.002252153900
  0.023019776200  0.006721559610
 -0.115998306000 -0.033914057000
  0.364495646000  0.107448871000
 -0.817813442000 -0.248312829000
  1.083638980000  0.365968226000
  0.294419119000  0.100850584000
 -0.949320451000 -0.469678101000
 -0.467172354000 -0.355120029000
 -0.013085814100  0.687616069000
  0.002764458910  0.546065812000
   10    1
   8121.011690
   1680.753380
   485.2780040
   67.66906000
   13.30202560
   3.519387030
   2.416225880
  0.5862469570
  0.2696208060
  0.1097453200
  0.002090341250
  0.013495517600
  0.038730292100
 -0.140850974000
  0.342452728000
 -0.274612545000
 -0.397210149000
  0.636535084000
  0.464600787000
  0.072217254200
   12    2
   2160.698030
   621.6508810
   230.2759360
   96.22831490
   21.19114780
   11.12405270
   4.234839850
   2.257464330
   1.106017280
  0.4669217910
  0.1830404930
  0.6482699600E-01
  0.002147292450 -0.000597414822
  0.016645064500 -0.004607705090
  0.065665295500 -0.018306347500
  0.119466014000 -0.032914201500
 -0.258115999000  0.076240810200
 -0.247351920000  0.065726338700
  0.320264127000 -0.118590823000
  0.533382433000 -0.194618752000
  0.273789002000 -0.004306707300
  0.034613454000  0.373901672000
 -0.001205489010  0.529694217000
  0.000217200200  0.287273342000
    9    1
   292.7725600
   99.01686020
   40.20015640
   17.35033360
   3.720000740
   1.792933940
  0.8460876180
  0.3728386720
  0.1442317150
 -0.005229919930
 -0.033825413100
 -0.098957402000
 -0.130121944000
  0.234379424000
  0.375067349000
  0.360097821000
  0.232757951000
  0.079196026400
    3    1
 3.11400000D+00
 1.03700000D+00
 3.16600000D-01
 5.20328179D-01
 5.41046199D-01
 2.47958041D-01
*
* Core AIMP: NpQR6L NpQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   691908.4900
   166661.6600
   56099.34100
   20706.38200
   8091.106500
   3197.206600
   1317.845400
   620.0957400
   229.4512900
   119.5844000
   25.03340600
   14.29442000
   5.663636300
   3.145617700
   1.126472400

  0.030761370800
  0.024617997200
  0.038254016000
  0.056456080000
  0.074802140000
  0.096953484000
  0.169309648000
  0.205289740000
  0.177184580000
  0.521795640000
  0.714230720000
  0.256638836000
  0.276697640000
  0.076594040000
  0.000414030560
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  8828.60690      1671.59210      429.739200      113.621660      26.4809280
   10427413.00
   1066261.900
   193227.7600
   47285.93500
   14147.00200
   4888.394000
   1880.836700
   783.7416500
   346.8076100
   163.9400500
   70.67506700
   37.52926300
   17.16442000
   9.438639600
   4.411473300
   2.450019500
   1.198000000
  0.004277451200  0.001810647600  0.000882245830  0.000458736380  0.000228318190
  0.013261585000  0.005690880300  0.002793552400  0.001450662400  0.000721299270
  0.035731234000  0.015783586000  0.007731285300  0.004030788000  0.002008159100
  0.088285030000  0.040129576000  0.019935731000  0.010371534000  0.005158325000
  0.193624240000  0.092964025000  0.046140354000  0.024166028000  0.012057444000
  0.340462280000  0.176308290000  0.090137851000  0.047154886000  0.023479935000
  0.377941000000  0.219904950000  0.112409010000  0.059679753000  0.029922429000
  0.166520060000 -0.016700582000 -0.026485752000 -0.018214666000 -0.009832500400
 -0.011100523000 -0.518852350000 -0.467747040000 -0.281728940000 -0.145668010000
 -0.021611416000 -0.515358120000 -0.546346630000 -0.364017500000 -0.195144970000
  0.006417491100 -0.087189063000  0.504005160000  0.559886380000  0.343774310000
  0.019831060000  0.027445476000  0.774696510000  1.019545300000  0.660548460000
 -0.004173047600 -0.009541326800  0.134097110000 -0.496106080000 -0.495049940000
 -0.009419089000 -0.001624509800 -0.020747216000 -0.959256600000 -1.293401700000
 -0.000106433530 -0.002291390500  0.006405634200 -0.135592310000  0.366463720000
  0.003557758400  0.003329695500 -0.001422244500  0.009780731400  1.059543400000
  0.000569997860  0.000144148740  0.000822409670 -0.001230716300  0.198805710000
   14    4
  1392.56490      351.352750      87.5662040      18.1617800
   31280.00000
   7021.000000
   2281.000000
   890.6000000
   389.5000000
   183.8000000
   88.61000000
   45.51000000
   23.25000000
   12.29800000
   6.520000000
   3.446000000
   1.774000000
  0.8281000000
  0.005244216300  0.002859115400  0.001500477800  0.000718263760
  0.028828677000  0.015813643000  0.008337336500  0.004039029100
  0.106175120000  0.060203984000  0.031931432000  0.015355950000
  0.268204600000  0.157985460000  0.084895066000  0.041319589000
  0.411781790000  0.254159250000  0.137746710000  0.066447270000
  0.305582630000  0.092783333000  0.031170033000  0.013466912000
  0.067898401000 -0.408509400000 -0.349381730000 -0.192325340000
 -0.010074879000 -0.548783950000 -0.466592230000 -0.247903960000
  0.001187310000 -0.175808050000  0.223843640000  0.193891570000
  0.004426338800 -0.001957548400  0.704696760000  0.635192140000
  0.002518911300 -0.000877968630  0.296267380000  0.102338450000
 -0.001994017900 -0.000167647280  0.023084489000 -0.700718790000
 -0.001173524900 -0.001379756800  0.000631999450 -0.495484140000
 -0.000203016010 -0.000066187224 -0.000335520080 -0.065080681000
   11    2
  476.250000      102.410000
   1849.000000
   564.3000000
   222.8000000
   98.90000000
   47.03000000
   22.51000000
   11.09000000
   5.446000000
   2.703000000
   1.294000000
  0.5622000000
  0.011255867000  0.006322336000
  0.071535568000  0.041535364000
  0.240778590000  0.140947200000
  0.432668020000  0.249762910000
  0.355153320000  0.079764936000
  0.097401047000 -0.402323750000
  0.000802027080 -0.531328220000
  0.001080928200 -0.182779770000
  0.000036141001 -0.009893846900
  0.000735578910 -0.000673382530
  0.000006931288  0.000346030050
    6    1
  31.8476750
   235.5000000
   81.71000000
   34.51000000
   15.64000000
   7.232000000
   3.175000000
  0.026392679000
  0.139373500000
  0.340785460000
  0.437783750000
  0.279282600000
  0.060890839000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NpQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Pu.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.26e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* PuQR7K PuQR7K-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: PuQR7K-[Xe,4f]
* mv+dw from PuQR(7K)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  PuQR7K PuQR7K-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),2.0*Bk(4f) rather than so-correct the basis set
*
 26.000000         4

   14    2
   25132969.80
   1536155.780
   154095.0940
   21572.49420
   3678.660530
   274.6282600
   49.02732400
   11.53639380
   2.930976190
   1.835864760
  0.6282357690
  0.2958076660
  0.6987458110E-01
  0.2769446350E-01
  0.000058573502  0.000016766869
  0.000359923434  0.000103029701
  0.001758610390  0.000503406140
  0.007719240090  0.002209799530
  0.023352207300  0.006685955080
 -0.116546259000 -0.033450757400
  0.367992726000  0.106565035000
 -0.828597409000 -0.247349179000
  1.096654910000  0.364194486000
  0.289537377000  0.097514167600
 -0.947355921000 -0.458044731000
 -0.470212395000 -0.354509238000
 -0.012924025400  0.683624446000
  0.002768174740  0.545716150000
   10    1
   8411.083780
   1735.970970
   499.9277540
   69.61595590
   13.76208210
   3.576053510
   2.452892290
  0.6179462210
  0.2848756800
  0.1164552360
  0.002117071730
  0.013654643600
  0.039260056100
 -0.142616538000
  0.346407755000
 -0.323000357000
 -0.352542594000
  0.625814005000
  0.472490164000
  0.077449621100
   12    2
   2224.018280
   639.3755880
   236.7742110
   98.97154750
   21.85695840
   11.54521070
   4.363910900
   2.323680570
   1.138080570
  0.4778394220
  0.1866981660
  0.6592896840E-01
  0.002170362070 -0.000599506934
  0.016814789700 -0.004620213700
  0.066425458400 -0.018388379900
  0.120892420000 -0.033052285300
 -0.261337989000  0.076943313000
 -0.248766215000  0.065444045700
  0.333624805000 -0.123193441000
  0.532163220000 -0.193408843000
  0.263997534000  0.006114925100
  0.032144302800  0.379783665000
 -0.001105551140  0.524917926000
  0.000239757304  0.283683786000
    9    1
   303.9933350
   102.9215540
   41.87328280
   18.13401720
   3.912495650
   1.887003590
  0.8930858270
  0.3966697850
  0.1552848540
 -0.005344221230
 -0.034699687300
 -0.102013428000
 -0.134880312000
  0.243946884000
  0.382787959000
  0.354804862000
  0.220325096000
  0.071292506800
    3    1
 3.30700000D+00
 1.11800000D+00
 3.46300000D-01
 5.27157085D-01
 5.35233332D-01
 2.38826514D-01
*
* Core AIMP: PuQR7K PuQR7K-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   606441.6900
   149004.5600
   51336.20100
   19246.25200
   7595.737500
   3024.848600
   1276.587400
   614.5686400
   230.3618900
   122.8435900
   25.72453600
   14.54593100
   5.898070300
   3.349945600
   1.584798100

  0.032072411538
  0.024928883077
  0.038284911923
  0.055886311538
  0.072882388462
  0.095805676923
  0.166638730769
  0.187908584615
  0.171518876923
  0.496342461538
  0.700316923077
  0.234268300000
  0.261774357692
  0.075595100000
  0.001160688077
M2
    0
COREREP
   1.0
PROJOP
    3
   18    5
  9063.76200      1722.98430      444.399860      118.181640      27.6973490
   10657413.00
   1083261.900
   195727.7600
   47865.93500
   14287.00200
   4922.394000
   1887.836700
   780.6416500
   350.8076100
   167.1400500
   72.26506800
   38.49926300
   17.48442000
   9.753639600
   4.435473300
   2.654019500
   1.422000000
  0.6020000000
  0.004504518100  0.001916427500  0.000934776490  0.000487238670  0.000243797330
  0.013879186000  0.005991485600  0.002944693900  0.001532186800  0.000767026670
  0.037041381000  0.016446410000  0.008064367500  0.004215836300  0.002110263200
  0.090738977000  0.041526987000  0.020660736000  0.010768181000  0.005395124100
  0.197817740000  0.095484246000  0.047441226000  0.024921423000  0.012486496000
  0.344640850000  0.179717420000  0.092047235000  0.048226188000  0.024211347000
  0.376772490000  0.217656650000  0.110953190000  0.059114612000  0.029682725000
  0.159198150000 -0.032086020000 -0.037110426000 -0.024673036000 -0.012938145000
 -0.015030383000 -0.522957370000 -0.475499130000 -0.287089250000 -0.150038510000
 -0.020685731000 -0.503656890000 -0.530252840000 -0.355380760000 -0.190796100000
  0.006374957500 -0.084749136000  0.515951620000  0.579874030000  0.356818570000
  0.020676803000  0.028177362000  0.765210290000  1.002036600000  0.658265260000
 -0.004938365500 -0.010519129000  0.134077690000 -0.508966110000 -0.527527980000
 -0.009212801100 -0.000827389990 -0.024653281000 -0.947499520000 -1.268987100000
 -0.000574978150 -0.003652745900  0.009699839400 -0.145365570000  0.356883480000
  0.003904155400  0.004732904000 -0.004612247100  0.023979388000  0.989158040000
  0.000644303070 -0.000328223290  0.002174614100 -0.005395516700  0.269647360000
  0.000058963164  0.000157355510 -0.000246423960  0.000763808800  0.006908054600
   14    4
  1430.06910      362.363960      90.9346490      18.9641820
   32190.00000
   7201.000000
   2334.000000
   911.3000000
   398.8000000
   188.2000000
   90.80000000
   46.66000000
   23.85000000
   12.64300000
   6.713000000
   3.566000000
   1.839000000
  0.8579000000
  0.005315266600  0.002904419400  0.001528873900  0.000737191950
  0.029163969000  0.016036738000  0.008482623600  0.004136273200
  0.107040690000  0.060835799000  0.032366737000  0.015676586000
  0.268914320000  0.158717120000  0.085564656000  0.041922885000
  0.411682260000  0.254237130000  0.138139960000  0.067111912000
  0.304830350000  0.091019006000  0.029915895000  0.012805803000
  0.067104172000 -0.410715710000 -0.352961520000 -0.195767260000
 -0.010232762000 -0.547520340000 -0.465994520000 -0.249520990000
  0.001165992800 -0.174509950000  0.228974630000  0.200534180000
  0.004686194400 -0.001458978600  0.705932560000  0.644120680000
  0.002494585600 -0.000916562280  0.292425780000  0.091889485000
 -0.002062171000 -0.000202756740  0.022222259000 -0.707593700000
 -0.001209197200 -0.001413512900  0.000681596070 -0.489012020000
 -0.000202215450 -0.000066050927 -0.000339695990 -0.063212776000
   12    2
  866.920000      188.290000
   3510.000000
   1064.000000
   418.0000000
   185.5000000
   88.00000000
   43.63000000
   21.68000000
   10.98000000
   5.518000000
   2.772000000
   1.339000000
  0.5835000000
  0.003351952400  0.001929291900
  0.024378117000  0.013880259000
  0.102990480000  0.060488386000
  0.275159240000  0.162215860000
  0.423134350000  0.238169250000
  0.304470900000  0.021466410000
  0.075756367000 -0.425790650000
  0.000738137990 -0.501302890000
  0.000524800570 -0.166844580000
  0.000379507530 -0.009532871900
  0.000599954800 -0.000429466680
  0.000044410103  0.000268591580
    8    1
  67.3600000
   458.0000000
   162.0000000
   70.28000000
   33.58000000
   16.76000000
   8.588000000
   4.383000000
   2.095000000
  0.006311306600
  0.043659451000
  0.152887290000
  0.313033320000
  0.386457050000
  0.274715720000
  0.095877738000
  0.010390862000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PuQR(7K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Am.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.27e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* AmQR10D AmQR10D-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: AmQR10D-[Xe,4f]
* mv+dw from AmQR(10D)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  AmQR10D AmQR10D-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d) rather than so-correct the basis set
*
 27.000000         4

   14    2
   27583898.90
   1676237.160
   166397.2070
   22982.61230
   3833.026830
   282.8787570
   50.67171540
   11.91650290
   3.535659810
   2.549887350
  0.6143576350
  0.2787807880
  0.6160426820E-01
  0.2545279160E-01
 -0.000057620163  0.000016143670
 -0.000352919994  0.000098878413
 -0.001717687780  0.000481254003
 -0.007542246750  0.002112923770
 -0.023146297400  0.006482549020
  0.114488672000 -0.032074259600
 -0.362589555000  0.102383947000
  0.824779722000 -0.239891826000
 -0.463149096000  0.152675186000
 -0.865233826000  0.272041797000
  0.943821025000 -0.441801755000
  0.424418521000 -0.305708813000
  0.014012815600  0.693563176000
  0.000551304147  0.509093498000
   10    1
   8706.244720
   1791.485020
   514.7747910
   71.60193660
   14.19966380
   3.933213000
   2.650172480
  0.6361336850
  0.2919899830
  0.1226809620
  0.002082529070
  0.013415094600
  0.038605294400
 -0.140017225000
  0.340944637000
 -0.246362426000
 -0.407358946000
  0.584288520000
  0.487751241000
  0.099817595600
   12    2
   2286.850630
   656.9146560
   243.2411660
   101.7146350
   22.58635940
   12.09431200
   4.354004680
   2.268704960
   1.077915890
  0.4068925350
  0.1392318010
  0.4377104360E-01
  0.002191202100 -0.000453962972
  0.016965144200 -0.003500175730
  0.067036821300 -0.013916733900
  0.122042280000 -0.025066788200
 -0.260672872000  0.057751862300
 -0.248454891000  0.048376316500
  0.376112114000 -0.101684216000
  0.530485488000 -0.144187864000
  0.231981039000  0.037078668100
  0.021880017700  0.329747782000
 -0.001109597020  0.501632011000
  0.000209841460  0.393309494000
    9    1
   314.8954010
   106.7091740
   43.49492160
   18.89595320
   4.091309020
   1.948951740
  0.8959583860
  0.3782810310
  0.1374177350
 -0.005254358150
 -0.034221356900
 -0.100966898000
 -0.133998817000
  0.245311778000
  0.386563432000
  0.356526174000
  0.225862577000
  0.084638264600
    3    1
 3.38700000D+00
 1.09800000D+00
 3.14500000D-01
 5.41088025D-01
 5.35939375D-01
 2.45873310D-01
*
* Core AIMP: AmQR10D AmQR10D-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   620629.1900
   150462.6900
   51267.45100
   19008.19200
   7423.154500
   2941.508600
   1255.972800
   613.3183400
   232.4952900
   126.2271400
   26.44025600
   14.71639400
   6.038793300
   3.407104600
   1.606916800

  0.031163237778
  0.024548892222
  0.037857107407
  0.055338174074
  0.071669903704
  0.094973933333
  0.163846518519
  0.173600292593
  0.166290507407
  0.473645481481
  0.686476185185
  0.217214622222
  0.254072022222
  0.066859533333
  0.000962088963
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  9303.41210      1775.21860      458.945900      122.365720      28.4529640
   10917413.00
   1104261.900
   198227.7600
   48175.93500
   14347.00200
   4942.394000
   1894.836700
   780.7416500
   352.3076100
   168.4400500
   73.48506700
   38.93926300
   17.73442000
   9.789639600
   4.539473300
   2.505019500
   1.218000000
  0.004735385100  0.002025350300  0.000989017880  0.000516606330  0.000259726690
  0.014496264000  0.006293247200  0.003096087700  0.001614395700  0.000812100900
  0.038562523000  0.017217386000  0.008453088500  0.004428650000  0.002227332000
  0.093870682000  0.043240883000  0.021538978000  0.011250025000  0.005664168200
  0.202458170000  0.098336389000  0.048925565000  0.025760757000  0.012968223000
  0.348204270000  0.182681300000  0.093695971000  0.049189428000  0.024818058000
  0.374021850000  0.214796750000  0.109251360000  0.058330051000  0.029415294000
  0.152016180000 -0.048995879000 -0.049177202000 -0.031808440000 -0.016676371000
 -0.018209472000 -0.533935810000 -0.490222480000 -0.297332270000 -0.156363780000
 -0.020156086000 -0.487086450000 -0.509574770000 -0.343336770000 -0.185316600000
  0.007461281100 -0.076308425000  0.548414880000  0.619266630000  0.383483890000
  0.020828396000  0.025897030000  0.747159820000  0.982742320000  0.652117050000
 -0.005845845100 -0.009433934800  0.120609490000 -0.578465690000 -0.604715470000
 -0.009405130600 -0.002424479800 -0.020719018000 -0.913717310000 -1.262026500000
  0.000513375800 -0.001473364200  0.006423700800 -0.114056870000  0.540564140000
  0.003601939300  0.003165727100 -0.001290868500  0.009338111500  0.981810340000
  0.000444822990  0.000108337120  0.000760637960 -0.001149572500  0.152397470000
   14    4
  1467.71170      373.080880      93.8721270      19.3030840
   32760.00000
   7336.000000
   2373.000000
   924.6000000
   403.7000000
   190.2000000
   91.58000000
   46.95000000
   23.85000000
   12.62800000
   6.656000000
   3.556000000
   1.824000000
  0.8289000000
  0.005449456200  0.002985606700  0.001575574200  0.000764197830
  0.029730300000  0.016384944000  0.008696950200  0.004259664300
  0.108869830000  0.062045053000  0.033100981000  0.016123494000
  0.272666750000  0.161283760000  0.087255649000  0.042946332000
  0.414009420000  0.255812410000  0.139237870000  0.068038285000
  0.300606610000  0.082326530000  0.023992076000  0.009589641900
  0.063084348000 -0.425610860000 -0.368048990000 -0.205138430000
 -0.010616309000 -0.542396410000 -0.457260660000 -0.245742370000
  0.001539406200 -0.163235230000  0.266748790000  0.232306930000
  0.004988115300  0.000967870090  0.708873910000  0.655496830000
  0.002189243400 -0.001270764400  0.265360480000  0.029088611000
 -0.002208996500 -0.000243144190  0.016035769000 -0.729484200000
 -0.001156437200 -0.001393484000  0.000923562890 -0.452055110000
 -0.000171757600 -0.000040173141 -0.000350850080 -0.051220384000
   11    2
  892.310000      194.480000
   1871.000000
   570.3000000
   225.1000000
   99.90000000
   47.50000000
   22.71000000
   11.21000000
   5.472000000
   2.716000000
   1.291000000
  0.5442000000
  0.012228134000  0.006931351900
  0.076756924000  0.045068449000
  0.253306080000  0.149676330000
  0.440378400000  0.255017990000
  0.341234140000  0.054678876000
  0.085608705000 -0.435546870000
 -0.000398490530 -0.517437390000
  0.001067189300 -0.155724060000
  0.000178068920 -0.005302886100
  0.000663599240 -0.000834599540
  0.000002935208  0.000322132600
    6    1
  35.0600810
   252.3000000
   87.70000000
   37.13000000
   16.89000000
   7.854000000
   3.464000000
  0.025974507000
  0.138139200000
  0.340410750000
  0.439355880000
  0.277685750000
  0.058709373000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AmQR(10D)-[Xe,4f,5d]
End of Spectral Representation Operator

/Cm.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.28e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* CmQR9D CmQR9D-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: CmQR9D-[Xe,4f]
* mv+dw from CmQR(9D)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  CmQR9D CmQR9D-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d) rather than so-correct the basis set
*
 28.000000         4

   14    2
   30403851.40
   1835918.510
   180183.5380
   24520.44850
   3994.029360
   291.2578700
   52.32435550
   12.33898800
   3.695716350
   2.648342920
  0.6592220240
  0.3098016090
  0.7449075320E-01
  0.2924519310E-01
 -0.000058616190  0.000016544863
 -0.000358082946  0.000101071475
 -0.001737543390  0.000490434935
 -0.007639492210  0.002156249200
 -0.023801689300  0.006717400140
  0.116640925000 -0.032957392700
 -0.371262743000  0.105805983000
  0.849845208000 -0.249740224000
 -0.495379918000  0.162068370000
 -0.876698857000  0.284460657000
  0.958978310000 -0.457795054000
  0.429181630000 -0.331019361000
  0.011286637400  0.680247610000
 -0.002326801090  0.547269792000
   10    1
   9011.814070
   1848.948680
   530.0645010
   73.60841990
   14.69461360
   3.957959970
   2.697003520
  0.6736714180
  0.3105129280
  0.1269778570
  0.002166977700
  0.013940969000
  0.040162082000
 -0.145616083000
  0.353995285000
 -0.303815813000
 -0.374178551000
  0.613322243000
  0.479806172000
  0.082865286200
   12    2
   2356.340610
   676.3038200
   250.2826300
   104.6522270
   23.17838430
   12.35075080
   4.661909210
   2.465371780
   1.196945410
  0.4866963360
  0.1837585280
  0.6272650840E-01
  0.002214664550 -0.000571626496
  0.017151184600 -0.004403616260
  0.067911494000 -0.017568364500
  0.123962675000 -0.031666083500
 -0.268601953000  0.074167125900
 -0.251050064000  0.061237547800
  0.354777221000 -0.122484336000
  0.533465285000 -0.180323674000
  0.248230309000  0.023193466600
  0.026818745200  0.376086070000
 -0.001103748020  0.518187333000
  0.000267255068  0.299884786000
    9    1
   329.6182020
   111.7033720
   45.54196450
   19.79883070
   4.277386350
   2.046959660
  0.9644664420
  0.4322320450
  0.1730085770
 -0.005419449630
 -0.035680163800
 -0.106727022000
 -0.143610623000
  0.265114885000
  0.401045821000
  0.344144398000
  0.193149697000
  0.054779883600
    3    1
 3.68600000D+00
 1.27600000D+00
 4.06300000D-01
 5.40341383D-01
 5.24645904D-01
 2.21687147D-01
*
* Core AIMP: CmQR9D CmQR9D-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   642779.9900
   155229.3800
   52642.55100
   19417.44200
   7551.964500
   2981.809600
   1275.631800
   625.4140400
   238.6308900
   130.0763200
   27.21939600
   15.05183700
   6.317239300
   3.751761700
   2.288355500

  0.030068182143
  0.023776111071
  0.036789271429
  0.053724846429
  0.069538600000
  0.092637621429
  0.159119153571
  0.164943439286
  0.159522550000
  0.456719321429
  0.670063678571
  0.201690021429
  0.238103346429
  0.067557892857
  0.004317377143
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  9549.01720      1829.71230      474.826160      127.615710      30.1812820
   12867413.00
   1291261.900
   230027.7600
   55475.93500
   16357.00200
   5579.394000
   2124.836700
   881.6416500
   385.4076100
   181.2400500
   77.51506800
   41.16926300
   18.61442000
   10.34164000
   4.816473300
   2.677019500
   1.310000000
  0.004562798900  0.001961810600  0.000958985830  0.000501931700  0.000253875150
  0.013839063000  0.006028172100  0.002967591200  0.001550971100  0.000784519890
  0.036384507000  0.016312157000  0.008015349000  0.004207092300  0.002129142700
  0.088029964000  0.040591850000  0.020226122000  0.010588932000  0.005359711000
  0.190782670000  0.092791285000  0.046179884000  0.024353257000  0.012338492000
  0.335726330000  0.174660620000  0.089428169000  0.047047783000  0.023853382000
  0.379709670000  0.218814980000  0.111564850000  0.059601082000  0.030281867000
  0.175970350000 -0.011531006000 -0.024261232000 -0.017375399000 -0.009400683700
 -0.009385961900 -0.512792350000 -0.463171040000 -0.280710340000 -0.148118580000
 -0.024446569000 -0.521002740000 -0.546632820000 -0.366043200000 -0.198839990000
  0.007538644800 -0.089456857000  0.502265120000  0.569575250000  0.355989420000
  0.021292504000  0.029873754000  0.775263750000  1.017882700000  0.677240350000
 -0.004776838500 -0.010793158000  0.133297360000 -0.527648860000 -0.558679440000
 -0.010484508000 -0.001729912400 -0.023832258000 -0.943414960000 -1.303575100000
  0.000506240800 -0.002213073400  0.007414970900 -0.125421140000  0.489093920000
  0.003730761000  0.003623754600 -0.001667248300  0.010220257000  1.013278400000
  0.000537094710  0.000092583061  0.000882644650 -0.001255585700  0.167762700000
   14    4
  1506.86560      384.938820      97.8110890      20.5691370
   34180.00000
   7640.000000
   2470.000000
   962.1000000
   420.6000000
   198.5000000
   95.88000000
   49.31000000
   25.25000000
   13.41700000
   7.137000000
   3.817000000
   1.971000000
  0.9179000000
  0.005421848300  0.002975561900  0.001575895900  0.000769640670
  0.029366111000  0.016224808000  0.008633800000  0.004259052700
  0.107337010000  0.061254595000  0.032787409000  0.016080972000
  0.269024110000  0.159330000000  0.086395645000  0.042827518000
  0.411304930000  0.254258400000  0.138881690000  0.068328246000
  0.305115640000  0.090656016000  0.029442746000  0.012512141000
  0.067321317000 -0.410493150000 -0.355783610000 -0.200010960000
 -0.010749908000 -0.547306190000 -0.468240330000 -0.254497710000
  0.001212207600 -0.174813500000  0.231792710000  0.208138510000
  0.005099295700 -0.001094031100  0.709987240000  0.661607080000
  0.002551898900 -0.000831830070  0.288451500000  0.075963415000
 -0.002236931500 -0.000342946450  0.021019036000 -0.719616140000
 -0.001267691900 -0.001459064700  0.000745087160 -0.478078490000
 -0.000205227610 -0.000071256716 -0.000342280860 -0.060032521000
   11    2
  920.910000      203.610000
   1855.000000
   565.2000000
   223.5000000
   99.70000000
   47.76000000
   23.19000000
   11.59000000
   5.743000000
   2.879000000
   1.387000000
  0.6022000000
  0.013084163000  0.007474472200
  0.081338764000  0.047937446000
  0.262092650000  0.155867310000
  0.441260170000  0.254686730000
  0.329801240000  0.043286348000
  0.081306648000 -0.434967310000
  0.000192540080 -0.510339130000
  0.000720817890 -0.157606030000
  0.000364706230 -0.006574328400
  0.000622534930 -0.000700796560
  0.000026312313  0.000300755500
    6    1
  37.4018380
   264.0000000
   91.85000000
   38.95000000
   17.76000000
   8.280000000
   3.662000000
  0.025139505000
  0.134965980000
  0.336514090000
  0.440026700000
  0.281630070000
  0.060033882000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CmQR(9D)-[Xe,4f,5d]
End of Spectral Representation Operator

/Bk.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.29e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* BkQR8H BkQR8H-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: BkQR8H-[Xe,4f]
* mv+dw from BkQR(8H)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  BkQR8H BkQR8H-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
*
 29.000000         4

   14    2
   33287078.30
   1999748.820
   194358.9730
   26103.36300
   4154.088350
   299.7276850
   53.99930650
   12.77331370
   3.845048270
   2.747016450
  0.6896006810
  0.3238290690
  0.7744973640E-01
  0.3031488540E-01
 -0.000058640149  0.000016480961
 -0.000357069006  0.000100354858
 -0.001725641850  0.000484997064
 -0.007588362950  0.002132622270
 -0.023984107300  0.006739456610
  0.116500016000 -0.032768846900
 -0.372810785000  0.105786160000
  0.857618997000 -0.251008420000
 -0.523644204000  0.170305940000
 -0.855574058000  0.276526646000
  0.956384498000 -0.452469175000
  0.433129848000 -0.334484261000
  0.011509487300  0.679415574000
 -0.002369921440  0.547754851000
   10    1
   9310.603760
   1906.048860
   545.4193460
   75.69270580
   15.16180080
   4.375314460
   2.963021770
  0.6866633470
  0.3117947020
  0.1254148670
  0.002199326430
  0.014113277300
  0.040661238000
 -0.147226390000
  0.358770652000
 -0.221065004000
 -0.454693178000
  0.632371689000
  0.465846864000
  0.072827441900
   12    2
   2425.030750
   695.4329460
   257.2578980
   107.5748820
   23.84682040
   12.75403410
   4.817397250
   2.535855420
   1.222667610
  0.4837928670
  0.1776997710
  0.5906120660E-01
  0.002234783830 -0.000542478010
  0.017303972100 -0.004178717630
  0.068606249600 -0.016692023100
  0.125441504000 -0.030137807800
 -0.272424912000  0.070889937400
 -0.251861844000  0.057449323600
  0.364849422000 -0.118314009000
  0.535014189000 -0.169061803000
  0.240348631000  0.030138678100
  0.023858405100  0.368362612000
 -0.001139341540  0.515665129000
  0.000275606119  0.317439697000
    9    1
   343.2356390
   116.3333220
   47.45698790
   20.65849850
   4.474066770
   2.134953070
   1.001106800
  0.4467918390
  0.1781783340
 -0.005400086620
 -0.035819334600
 -0.108187604000
 -0.146781314000
  0.272562459000
  0.404765230000
  0.340535933000
  0.187484236000
  0.052482598300
    3    1
 3.86500000D+00
 1.33700000D+00
 4.24500000D-01
 5.47018485D-01
 5.20988792D-01
 2.17900104D-01
*
* Core AIMP: BkQR8H BkQR8H-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   690612.3900
   170864.2500
   58946.10100
   22028.37200
   8656.140500
   3443.860600
   1443.125800
   687.7562400
   258.1793900
   135.0371600
   28.12000600
   15.58313500
   6.440727300
   3.559352700
   1.108055800

  0.028313031379
  0.021848010000
  0.033642490345
  0.049287317241
  0.064589317241
  0.084479944828
  0.146765293103
  0.172592041379
  0.149688827586
  0.452137000000
  0.647709758621
  0.195506327586
  0.242483082759
  0.055617865517
  0.000167270724
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  9799.46390      1885.19210      490.669780      132.548910      31.4980950
   12687413.00
   1268261.900
   224927.7600
   54095.93500
   15957.00200
   5450.394000
   2075.836700
   854.6416500
   382.0076100
   181.7400500
   78.79506800
   41.80926300
   19.09442000
   10.60264000
   4.972473300
   2.753019500
   1.348000000
  0.004916883400  0.002125220600  0.001040000200  0.000545429020  0.000277202110
  0.014818126000  0.006496932400  0.003201485000  0.001676822900  0.000852630260
  0.038792998000  0.017490850000  0.008605914900  0.004526205000  0.002301230900
  0.093049852000  0.043259474000  0.021582208000  0.011324283000  0.005763223800
  0.199073690000  0.097475132000  0.048587996000  0.025678223000  0.013067818000
  0.343445940000  0.180465460000  0.092570447000  0.048813390000  0.024892367000
  0.376178210000  0.214658730000  0.109071120000  0.058356508000  0.029745621000
  0.161128480000 -0.039207977000 -0.043504438000 -0.028624698000 -0.015232726000
 -0.016241546000 -0.525655060000 -0.480777050000 -0.292959240000 -0.155774100000
 -0.022425789000 -0.497136160000 -0.518364130000 -0.348970310000 -0.190394410000
  0.007828007100 -0.080965371000  0.532436810000  0.605824640000  0.380518600000
  0.022099725000  0.028293006000  0.755330620000  0.996739260000  0.670466840000
 -0.005869595700 -0.010386765000  0.125337130000 -0.559011060000 -0.599414840000
 -0.010316711000 -0.002411587200 -0.021907934000 -0.927450820000 -1.296968200000
  0.000539884610 -0.001787541700  0.006695956200 -0.119959040000  0.533975520000
  0.003880792800  0.003514823900 -0.001232579200  0.009321289300  0.996211960000
  0.000503377280  0.000116535010  0.000800985060 -0.001128619200  0.158349340000
   14    4
  1546.22020      396.559360      101.371140      21.4159300
   36110.00000
   8007.000000
   2580.000000
   1003.000000
   437.5000000
   206.0000000
   99.35000000
   51.05000000
   26.14000000
   13.90100000
   7.401000000
   3.965000000
   2.047000000
  0.9520000000
  0.005322688200  0.002927222900  0.001554845100  0.000763697120
  0.028866163000  0.015981190000  0.008528052900  0.004230161400
  0.105476860000  0.060285831000  0.032359391000  0.015960782000
  0.265685880000  0.157480040000  0.085608049000  0.042670082000
  0.410767710000  0.254145790000  0.139207250000  0.068886220000
  0.309518200000  0.096161605000  0.033008001000  0.014375513000
  0.069758322000 -0.404808460000 -0.352289180000 -0.199328020000
 -0.011032828000 -0.550754090000 -0.473620080000 -0.259464750000
  0.001168650500 -0.178516130000  0.224421940000  0.205275500000
  0.005279407400 -0.001191355900  0.712867810000  0.670021240000
  0.002655172900 -0.000806733130  0.291310170000  0.077364452000
 -0.002326406600 -0.000383200010  0.021228425000 -0.723909850000
 -0.001306366500 -0.001501507700  0.000761099950 -0.477117130000
 -0.000210158720 -0.000073665850 -0.000342470980 -0.059406355000
   11    2
  948.600000      211.520000
   1845.000000
   561.9000000
   222.4000000
   99.40000000
   47.72000000
   23.29000000
   11.71000000
   5.836000000
   2.939000000
   1.422000000
  0.6181000000
  0.013914066000  0.007993020300
  0.085660619000  0.050725810000
  0.270911460000  0.161929930000
  0.444108340000  0.255650170000
  0.319326040000  0.027200487000
  0.074981434000 -0.447424260000
  0.000015387534 -0.499550910000
  0.000591794190 -0.148497470000
  0.000479117050 -0.005920879700
  0.000582113920 -0.000631218350
  0.000034803133  0.000267688800
    6    1
  118.010000
   270.9000000
   94.30000000
   40.02000000
   18.28000000
   8.551000000
   3.796000000
  0.025340190000
  0.136020330000
  0.338527550000
  0.440284380000
  0.278199110000
  0.058103210000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BkQR(8H)-[Xe,4f,5d]
End of Spectral Representation Operator

/Cf.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.30e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* CfQR7K CfQR7K-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: CfQR7K-[Xe,4f]
* mv+dw from CfQR(7K)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  CfQR7K CfQR7K-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
*
 30.000000         4

   14    2
   36580619.00
   2185020.440
   210140.1450
   27819.14910
   4319.891720
   307.9862730
   55.80657030
   13.17079450
   4.212821210
   2.896634610
  0.7233067520
  0.3401872490
  0.7962855340E-01
  0.3111168680E-01
 -0.000058396804  0.000016282551
 -0.000354674347  0.000098892186
 -0.001708697010  0.000476430565
 -0.007521077750  0.002096971230
 -0.024121295600  0.006724412290
  0.116278153000 -0.032449190100
 -0.372959498000  0.105010331000
  0.868292779000 -0.252295159000
 -0.448302766000  0.144227836000
 -0.942424850000  0.302488616000
  0.945734647000 -0.440407282000
  0.445260969000 -0.339899054000
  0.012226431700  0.677985804000
 -0.002609231430  0.546099365000
   10    1
   9664.823560
   1970.372080
   561.8056000
   77.80273920
   15.63592500
   4.818962900
   3.171815340
  0.7051326640
  0.3165054170
  0.1256002470
  0.002216052880
  0.014232683800
  0.041126734500
 -0.148585939000
  0.363076187000
 -0.169699188000
 -0.505327131000
  0.642153802000
  0.458879166000
  0.067307207800
   12    2
   2494.592560
   714.7663290
   264.3079810
   110.5322770
   24.52969270
   13.16833210
   4.979451120
   2.613967940
   1.255922900
  0.4896142110
  0.1772725860
  0.5810065000E-01
  0.002254486260 -0.000529591194
  0.017451518400 -0.004078454810
  0.069267679900 -0.016309336000
  0.126830069000 -0.029488154100
 -0.275915747000  0.069594675100
 -0.252629806000  0.055535099600
  0.372990277000 -0.116982213000
  0.535151508000 -0.163273581000
  0.234422955000  0.034933255900
  0.022206074900  0.365258922000
 -0.001105195490  0.513848155000
  0.000288523733  0.325852249000
    9    1
   354.9504570
   120.4353760
   49.22880970
   21.49455860
   4.672986860
   2.220182780
   1.033832210
  0.4591126650
  0.1829497080
 -0.005449644190
 -0.036220938200
 -0.109739794000
 -0.149597688000
  0.279587216000
  0.409968155000
  0.337331316000
  0.180621004000
  0.048952785500
    3    1
 4.04800000D+00
 1.40300000D+00
 4.45900000D-01
 5.52454114D-01
 5.17218463D-01
 2.14539447D-01
*
* Core AIMP: CfQR7K CfQR7K-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   624002.2900
   159405.6600
   56633.93100
   21725.12200
   8705.433500
   3511.189600
   1484.949800
   709.3318400
   266.7453900
   139.1405000
   28.92882600
   15.81100900
   6.599575300
   3.611396700
  0.7665985200

  0.029083303000
  0.021647713000
  0.032719168667
  0.047250623333
  0.061611620000
  0.081016543333
  0.141039586667
  0.166669060000
  0.144062616667
  0.438139366667
  0.633730233333
  0.184386633333
  0.236215970000
  0.049036516667
  0.000057713427
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  10055.2980      1942.10640      506.907320      137.588770      32.8264190
   14507413.00
   1441261.900
   254127.7600
   60645.93500
   17747.00200
   6019.394000
   2281.836700
   943.9416500
   411.7076100
   193.4400500
   82.79506800
   43.99926300
   19.92442000
   11.12464000
   5.214473300
   2.897019500
   1.418000000
  0.004838367800  0.002102531800  0.001029927500  0.000541163260  0.000276342170
  0.014427905000  0.006351011800  0.003131459200  0.001643515600  0.000839479520
  0.037397069000  0.016936280000  0.008340474100  0.004394365000  0.002245032000
  0.089162936000  0.041544933000  0.020733801000  0.010901533000  0.005572627900
  0.190712140000  0.093611817000  0.046686512000  0.024712717000  0.012638390000
  0.333695170000  0.174463820000  0.089380857000  0.047217639000  0.024179178000
  0.379424700000  0.217002390000  0.110468930000  0.059161837000  0.030320531000
  0.179529300000 -0.012081258000 -0.025681797000 -0.018310954000 -0.009960872700
 -0.009161793900 -0.509263790000 -0.460397030000 -0.280484000000 -0.149632540000
 -0.025983001000 -0.521717710000 -0.544873040000 -0.365447850000 -0.200311630000
  0.007921266700 -0.091033156000  0.494923270000  0.565931180000  0.357923980000
  0.022586507000  0.031240434000  0.778318930000  1.024246800000  0.690941230000
 -0.004977569600 -0.011293698000  0.136061040000 -0.520570020000 -0.567226510000
 -0.011315645000 -0.002044768300 -0.025025189000 -0.949865310000 -1.326989700000
  0.000638019430 -0.002252202100  0.007700381900 -0.127244730000  0.510501770000
  0.003965234700  0.003840351500 -0.001606207600  0.010131358000  1.011292900000
  0.000566930970  0.000105242240  0.000905700700 -0.001235782700  0.165012210000
   14    4
  1586.17720      408.360420      104.970520      22.2538800
   37340.00000
   8254.000000
   2657.000000
   1031.600000
   449.8000000
   211.9000000
   102.2400000
   52.57000000
   26.94000000
   14.35500000
   7.655000000
   4.106000000
   2.118000000
  0.9826000000
  0.005364985100  0.002956927900  0.001575063100  0.000777880610
  0.028933146000  0.016054276000  0.008591436200  0.004283098800
  0.105422920000  0.060376170000  0.032498768000  0.016116052000
  0.265425980000  0.157563880000  0.085886307000  0.043026160000
  0.410170890000  0.253930570000  0.139427420000  0.069366972000
  0.310085220000  0.096789666000  0.033371792000  0.014560663000
  0.070505439000 -0.402930920000 -0.352153040000 -0.200452650000
 -0.011379142000 -0.551300710000 -0.475414940000 -0.262175090000
  0.001213743500 -0.179951200000  0.221958250000  0.205899280000
  0.005436766500 -0.001056756700  0.714262320000  0.677238170000
  0.002747247900 -0.000802531680  0.292231230000  0.074859396000
 -0.002426372700 -0.000429317550  0.021251892000 -0.729029050000
 -0.001337795700 -0.001539155600  0.000742450330 -0.474224640000
 -0.000213058540 -0.000074327735 -0.000336658580 -0.058029853000
   11    2
  976.610000      219.490000
   1854.000000
   564.0000000
   223.1000000
   99.80000000
   47.99000000
   23.54000000
   11.89000000
   5.943000000
   2.994000000
   1.448000000
  0.6275000000
  0.014496462000  0.008373522800
  0.088847656000  0.052839547000
  0.277677050000  0.166803750000
  0.446077470000  0.256232980000
  0.311279480000  0.014970930000
  0.070427376000 -0.456168250000
 -0.000032362340 -0.491823460000
  0.000470824980 -0.141586110000
  0.000589038720 -0.005252028700
  0.000543681140 -0.000599523140
  0.000040141719  0.000246194650
    6    1
  123.840000
   285.1000000
   99.29000000
   42.17000000
   19.28000000
   9.025000000
   4.006000000
  0.024180896000
  0.131603430000
  0.333324920000
  0.441817390000
  0.283921650000
  0.059908495000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CfQR(7K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Es.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.31e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* EsQR6L EsQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: EsQR6L-[Xe,4f]
* mv+dw from EsQR(6L)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  EsQR6L EsQR6L-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
*
 31.000000         4

   14    2
   39917068.00
   2373196.130
   226116.9900
   29550.10870
   4480.626210
   315.4357890
   57.58180650
   13.65885230
   4.171224560
   2.959812540
  0.7475597700
  0.3483639570
  0.8211389590E-01
  0.3190449840E-01
 -0.000058203261  0.000016063881
 -0.000352438423  0.000097271309
 -0.001691542750  0.000466861534
 -0.007445104080  0.002054677960
 -0.024199578600  0.006677302100
  0.116159634000 -0.032080021600
 -0.373798707000  0.104168631000
  0.868876959000 -0.249854793000
 -0.562356645000  0.178928216000
 -0.824954274000  0.261854184000
  0.955574834000 -0.439277635000
  0.434177687000 -0.334263596000
  0.011282407300  0.673404775000
 -0.002327474400  0.549975102000
   10    1
   9982.799850
   2029.876890
   577.8711000
   79.91486240
   16.17860930
   4.495506270
   3.070028350
  0.7488843510
  0.3393048390
  0.1363133220
  0.002244290710
  0.014376556900
  0.041510760600
 -0.149956578000
  0.364131072000
 -0.296019045000
 -0.383469683000
  0.619163112000
  0.476951272000
  0.078120992900
   12    2
   2569.426060
   735.5381160
   271.8490710
   113.6585240
   25.11593290
   13.38439930
   5.289189950
   2.773099410
   1.327119580
  0.5123536550
  0.1837248160
  0.5945958660E-01
  0.002266389420 -0.000523413823
  0.017545153300 -0.004029546040
  0.069782456000 -0.016154584000
  0.128205992000 -0.029288773800
 -0.283795971000  0.070289338500
 -0.253640736000  0.054879320200
  0.360184473000 -0.110656707000
  0.544151238000 -0.164282629000
  0.242963100000  0.029609575400
  0.023277459900  0.358577552000
 -0.001175618230  0.515662057000
  0.000344959123  0.336577575000
    9    1
   368.9200910
   125.1970390
   51.19691680
   22.37176540
   4.882739930
   2.325871070
   1.086807980
  0.4846455470
  0.1940392390
 -0.005427574210
 -0.036320445900
 -0.111043552000
 -0.152683212000
  0.283956653000
  0.409990798000
  0.333664561000
  0.178275266000
  0.048678439200
    3    1
 4.23300000D+00
 1.47000000D+00
 4.67900000D-01
 5.57514540D-01
 5.13787405D-01
 2.11003624D-01
*
* Core AIMP: EsQR6L EsQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   647204.4900
   164809.8000
   58440.89100
   22444.88200
   8997.664500
   3628.671600
   1533.822700
   731.8804400
   275.5343900
   143.3393700
   29.77829600
   16.13823400
   6.799181300
   3.704502600
  0.5471818200

  0.028133093548
  0.021007643871
  0.031648544839
  0.045561729032
  0.059461232258
  0.078312170968
  0.136237409677
  0.161495835484
  0.138796451613
  0.425003709677
  0.618489064516
  0.174982161290
  0.229242322581
  0.045147551613
  0.000029469423
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  10316.7010      2000.51690      523.560400      142.746900      34.1745660
   15037413.00
   1484261.900
   260727.7600
   62015.93500
   18077.00200
   6106.394000
   2306.836700
   949.1416500
   418.0076100
   197.1400500
   85.01506800
   45.10926300
   20.47442000
   11.44864000
   5.386473300
   2.985019500
   1.460000000
  0.005065483600  0.002212950500  0.001085070800  0.000571224360  0.000292955280
  0.014989973000  0.006637203800  0.003275308200  0.001722299200  0.000883747950
  0.038531003000  0.017539701000  0.008646683900  0.004564576600  0.002341816600
  0.091179889000  0.042757188000  0.021358619000  0.011251479000  0.005778598400
  0.193944390000  0.095672926000  0.047767084000  0.025335696000  0.013010108000
  0.336873900000  0.177103140000  0.090806258000  0.048056935000  0.024729654000
  0.378760700000  0.215040580000  0.109221240000  0.058585862000  0.030124036000
  0.174173960000 -0.023686446000 -0.034043990000 -0.023313890000 -0.012591321000
 -0.012439931000 -0.514543080000 -0.467482450000 -0.285666480000 -0.153314090000
 -0.025438351000 -0.511855080000 -0.532927990000 -0.358676230000 -0.197364070000
  0.008131231400 -0.086924690000  0.506710700000  0.581448990000  0.369397680000
  0.023377815000  0.030325530000  0.771247290000  1.016682800000  0.691553390000
 -0.005640889600 -0.010923715000  0.132798450000 -0.537474870000 -0.593953740000
 -0.011404304000 -0.002674931300 -0.024719069000 -0.940930470000 -1.324392900000
  0.000719900270 -0.001904205000  0.007547879300 -0.123996960000  0.543634720000
  0.004091020300  0.003776139800 -0.001431238000  0.009736580200  0.998968640000
  0.000548284380  0.000126950370  0.000877895900 -0.001180179900  0.157610820000
   14    4
  1626.75010      420.351300      108.616990      23.0898030
   38980.00000
   8617.000000
   2768.000000
   1072.500000
   466.5000000
   219.3000000
   105.8200000
   54.41000000
   27.93000000
   14.89400000
   7.960000000
   4.266000000
   2.199000000
   1.018600000
  0.005318677600  0.002937014500  0.001568995000  0.000778626160
  0.028514234000  0.015856773000  0.008507675700  0.004262282800
  0.103910990000  0.059596710000  0.032167502000  0.016028775000
  0.262786200000  0.156167390000  0.085323400000  0.042952559000
  0.409887180000  0.253854670000  0.139757820000  0.069869278000
  0.313445830000  0.101178940000  0.036174469000  0.016072384000
  0.072466560000 -0.397281460000 -0.348389340000 -0.199496780000
 -0.011506233000 -0.553722060000 -0.480296380000 -0.266651970000
  0.001049028900 -0.184008670000  0.212567730000  0.200768790000
  0.005672427800 -0.001548605700  0.716183040000  0.684667910000
  0.002839774100 -0.000643189100  0.297128620000  0.079720809000
 -0.002488264400 -0.000524394750  0.022192934000 -0.732220620000
 -0.001391344300 -0.001566559500  0.000647889670 -0.474910410000
 -0.000217323320 -0.000081972833 -0.000318421860 -0.057872401000
   11    2
  1004.97000      227.520000
   1848.000000
   563.1000000
   223.6000000
   100.5000000
   48.51000000
   23.89000000
   12.13000000
   6.102000000
   3.081000000
   1.492000000
  0.6456000000
  0.015316508000  0.008891609500
  0.092543666000  0.055293517000
  0.283234770000  0.170897950000
  0.445577470000  0.255643960000
  0.304688520000  0.005251543900
  0.067390181000 -0.462183150000
 -0.000187578100 -0.484761350000
  0.000443854770 -0.137212730000
  0.000639183830 -0.005288557200
  0.000536836190 -0.000502870500
  0.000042825452  0.000211814040
    6    1
  129.690000
   296.0000000
   103.2300000
   43.91000000
   20.11000000
   9.430000000
   4.190000000
  0.023708708000
  0.129652630000
  0.330924120000
  0.442531280000
  0.286032610000
  0.060274026000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EsQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Fm.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.32e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* FmQR5L FmQR5L-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: FmQR5L-[Xe,4f]
* mv+dw from FmQR(5L)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  FmQR5L FmQR5L-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
*
 32.000000         4

   14    2
   45422829.40
   2686061.150
   253089.4250
   32487.75200
   4672.175510
   329.5293670
   59.48323560
   14.21201040
   4.318807640
   3.070110380
  0.7833748900
  0.3645063270
  0.8473733120E-01
  0.3279085430E-01
 -0.000058707698  0.000016074367
 -0.000354218840  0.000096985690
 -0.001692118940  0.000463313558
 -0.007480569520  0.002047979520
 -0.025534863900  0.006989543020
  0.116076211000 -0.031791435200
 -0.377557042000  0.104360429000
  0.877848419000 -0.250480427000
 -0.598554315000  0.189393718000
 -0.794798441000  0.249611639000
  0.950542746000 -0.431730065000
  0.439819370000 -0.334879183000
  0.011674257900  0.670389805000
 -0.002459185190  0.550173872000
   10    1
   10324.59050
   2093.528500
   594.5404170
   82.10593490
   16.69238950
   4.776218110
   3.277911740
  0.7672073790
  0.3455860690
  0.1384736000
  0.002266656230
  0.014495036200
  0.041882156200
 -0.151067437000
  0.366693654000
 -0.257793090000
 -0.418389914000
  0.625511627000
  0.469639623000
  0.075855001700
   12    2
   2643.745650
   756.1083180
   279.3078500
   116.7615550
   25.77653610
   13.72416850
   5.518187910
   2.887784280
   1.378960250
  0.5288172940
  0.1883329140
  0.6043877710E-01
  0.002280691390 -0.000519309846
  0.017654198600 -0.003996946340
  0.070324397800 -0.016051726800
  0.129484933000 -0.029158565800
 -0.288745323000  0.070523556700
 -0.254402379000  0.054214093700
  0.359859012000 -0.108856297000
  0.547057402000 -0.163096182000
  0.243304379000  0.029711555700
  0.023123109900  0.355931340000
 -0.001153139430  0.515472300000
  0.000372937706  0.342147978000
    9    1
   383.2537540
   129.9986020
   53.15508170
   23.24629910
   5.097071030
   2.431903770
   1.137383070
  0.5074959600
  0.2033284940
 -0.005397595540
 -0.036409227600
 -0.112273538000
 -0.155413316000
  0.287678392000
  0.410585550000
  0.331016718000
  0.176009856000
  0.048070423300
    3    1
 4.42000000D+00
 1.53700000D+00
 4.89500000D-01
 5.62123228D-01
 5.10708577D-01
 2.07957718D-01
*
* Core AIMP: FmQR5L FmQR5L-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   668910.6900
   168584.8200
   59185.38100
   22590.37200
   9081.496500
   3681.173600
   1565.130200
   749.4351400
   282.7978900
   147.4673700
   30.62287600
   16.36136800
   6.977765300
   3.782461700
  0.2209278200

  0.027338736563
  0.020644418438
  0.031216423750
  0.044552356250
  0.057443159375
  0.076008600000
  0.132183940625
  0.155249487500
  0.134380934375
  0.411470812500
  0.605321843750
  0.166070115625
  0.222302643750
  0.040804843750
  0.000011706780
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  10583.8680      2060.49240      540.655120      148.038460      35.5536390
   16347413.00
   1611261.900
   281427.7600
   66605.93500
   19327.00200
   6501.394000
   2444.836700
   1002.241700
   437.8076100
   205.4400500
   88.26506800
   46.82926300
   21.27442000
   11.92464000
   5.639473300
   3.120019500
   1.524000000
  0.005140834700  0.002258003900  0.001108179000  0.000584415040  0.000300999970
  0.015060639000  0.006701833500  0.003309409100  0.001743610800  0.000898342970
  0.038395367000  0.017561207000  0.008665019600  0.004581869700  0.002360923600
  0.090087212000  0.042426272000  0.021205430000  0.011192976000  0.005771600100
  0.190681730000  0.094401481000  0.047165008000  0.025055354000  0.012923160000
  0.332421780000  0.174784670000  0.089587889000  0.047501818000  0.024537528000
  0.380609420000  0.215515610000  0.109448070000  0.058749882000  0.030351528000
  0.182234060000 -0.014876053000 -0.028747536000 -0.020274646000 -0.011095541000
 -0.010540639000 -0.508610100000 -0.460398610000 -0.281803480000 -0.151787960000
 -0.026812495000 -0.519597800000 -0.540391900000 -0.363348530000 -0.200880840000
  0.008097295100 -0.090270320000  0.494376120000  0.569282500000  0.364011600000
  0.024180952000  0.031626136000  0.778064360000  1.026737200000  0.701409950000
 -0.005563707700 -0.011327529000  0.136218660000 -0.521973680000 -0.582873040000
 -0.011930619000 -0.002736609800 -0.025372933000 -0.950939460000 -1.344597500000
  0.000701564170 -0.002059416400  0.007635557400 -0.127872920000  0.535826150000
  0.004252209700  0.003947807700 -0.001346105500  0.009643455800  1.008723200000
  0.000577616130  0.000136265220  0.000887035110 -0.001169573500  0.159981500000
   14    4
  1667.95540      432.544740      112.321440      23.9329660
   40720.00000
   8954.000000
   2867.000000
   1108.400000
   481.6000000
   226.3000000
   109.1300000
   56.12000000
   28.83000000
   15.39700000
   8.240000000
   4.422000000
   2.279000000
   1.054300000
  0.005292138100  0.002928630900  0.001568762700  0.000782223230
  0.028329450000  0.015786429000  0.008492192200  0.004273613600
  0.103233350000  0.059315375000  0.032100346000  0.016070641000
  0.261433420000  0.155543700000  0.085190032000  0.043077793000
  0.409130880000  0.253568150000  0.139936790000  0.070289538000
  0.315473130000  0.103595960000  0.037725231000  0.016900192000
  0.074001282000 -0.393841830000 -0.346774760000 -0.199652480000
 -0.011873306000 -0.555141850000 -0.483208930000 -0.269922540000
  0.001071496400 -0.186450860000  0.207494760000  0.199119260000
  0.005822115400 -0.001602825300  0.717842960000  0.691402000000
  0.002963348700 -0.000599747660  0.299426950000  0.080329645000
 -0.002587611900 -0.000575367790  0.022444424000 -0.735112600000
 -0.001428803600 -0.001607847100  0.000649550540 -0.474393450000
 -0.000223926910 -0.000085844848 -0.000317822470 -0.057554127000
   11    2
  1033.70000      235.640000
   1901.000000
   579.0000000
   230.0000000
   103.5000000
   50.03000000
   24.67000000
   12.54000000
   6.302000000
   3.181000000
   1.539000000
  0.6643000000
  0.015242372000  0.008886050900
  0.092055934000  0.055224958000
  0.281831330000  0.170742380000
  0.444465420000  0.256221360000
  0.306321520000  0.008237088700
  0.068687032000 -0.460805670000
 -0.000241263700 -0.487191110000
  0.000474788640 -0.137537570000
  0.000649700600 -0.005030082200
  0.000550688480 -0.000572673930
  0.000040908352  0.000218865370
    6    1
  135.650000
   304.3000000
   106.1300000
   45.17000000
   20.72000000
   9.743000000
   4.341000000
  0.023747322000
  0.130097610000
  0.332039610000
  0.442838570000
  0.283869510000
  0.058984333000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FmQR(5L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Md.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.33e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* MdQR4K MdQR4K-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: MdQR4K-[Xe,4f]
* mv+dw from MdQR(4K)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                   MdQR4K MdQR4K-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
*
 33.000000         4

   14    2
   50468688.00
   2969624.930
   276997.6040
   35006.82880
   4841.466060
   338.6477980
   61.61269640
   14.69424220
   4.601862230
   3.206480640
  0.8211662790
  0.3817037870
  0.8712316270E-01
  0.3362062400E-01
 -0.000059004439  0.000016030014
 -0.000355016014  0.000096448268
 -0.001689673160  0.000459047441
 -0.007486902480  0.002033785430
 -0.026310014800  0.007146006250
  0.116781484000 -0.031740008600
 -0.379054829000  0.103971060000
  0.887335107000 -0.251206621000
 -0.573166160000  0.178570278000
 -0.830161728000  0.260012272000
  0.942454473000 -0.422509359000
  0.449613831000 -0.337819561000
  0.012202436000  0.668568159000
 -0.002640789160  0.549023836000
   10    1
   10673.44810
   2158.180880
   611.5925360
   84.36180840
   17.19812700
   4.979546770
   3.368351600
  0.8019524480
  0.3612676370
  0.1447024900
  0.002290730810
  0.014617315800
  0.042250564100
 -0.152094217000
  0.369791450000
 -0.265096934000
 -0.413826884000
  0.614959549000
  0.478118399000
  0.079943232500
   12    2
   2716.640090
   776.2373200
   286.6071260
   119.8197250
   26.53091370
   14.24560570
   5.621410780
   2.937748340
   1.401377380
  0.5328395950
  0.1883647620
  0.6010445060E-01
  0.002299127910 -0.000513506799
  0.017790307700 -0.003951658440
  0.070925144200 -0.015879761000
  0.130679554000 -0.028873207400
 -0.290029897000  0.069649410400
 -0.254184331000  0.052839377900
  0.375132571000 -0.111445439000
  0.542138811000 -0.157931956000
  0.233034988000  0.036939181400
  0.021183484600  0.357650889000
 -0.001047896720  0.512964987000
  0.000364892614  0.342872723000
    9    1
   397.3338710
   134.7443640
   55.10801730
   24.12730170
   5.316786650
   2.542631100
   1.191450200
  0.5322461170
  0.2133179630
 -0.005379937000
 -0.036524478400
 -0.113423991000
 -0.157926029000
  0.290746863000
  0.410511578000
  0.328614304000
  0.174540095000
  0.047880048400
    3    1
 4.60600000D+00
 1.60300000D+00
 5.10700000D-01
 5.66806856D-01
 5.07596880D-01
 2.05030089D-01
*
* Core AIMP: MdQR4K MdQR4K-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   693883.5900
   174402.0800
   61067.89100
   23257.31200
   9332.523500
   3779.374600
   1608.009300
   770.3045400
   291.0569900
   151.7482600
   31.51037600
   16.68608500
   7.188342300
   3.887046600
  0.1356610000

  0.026497441515
  0.020056831515
  0.030329042424
  0.043240800000
  0.055709618182
  0.073843900000
  0.128239333333
  0.150136233333
  0.130076421212
  0.399242696970
  0.591085484848
  0.158611724242
  0.215506760606
  0.038021775758
  0.000008000685
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  10857.0010      2122.09870      558.211480      153.472120      36.9687700
   17867413.00
   1732261.900
   300327.7600
   70755.93500
   20377.00200
   6800.394000
   2544.836700
   1042.641700
   453.2076100
   212.4400500
   91.28506700
   48.44926300
   21.91442000
   12.33764000
   5.863473300
   3.241019500
   1.583000000
  0.005237019000  0.002312835200  0.001136110800  0.000600193490  0.000310365060
  0.015294374000  0.006840709100  0.003380078200  0.001784021300  0.000922849180
  0.038569228000  0.017729643000  0.008756135500  0.004638144900  0.002399483800
  0.089861739000  0.042514656000  0.021261033000  0.011242109000  0.005820233200
  0.190084050000  0.094513454000  0.047262284000  0.025150426000  0.013024010000
  0.331652480000  0.174654820000  0.089508946000  0.047535945000  0.024653258000
  0.380754160000  0.215005560000  0.109114560000  0.058648992000  0.030415463000
  0.184949740000 -0.014006129000 -0.028698033000 -0.020345184000 -0.011186558000
 -0.009572513700 -0.506572970000 -0.458578610000 -0.281224700000 -0.152135500000
 -0.028005561000 -0.520515370000 -0.539822590000 -0.363257080000 -0.201618440000
  0.008483754700 -0.091403174000  0.488608840000  0.565532320000  0.363582180000
  0.024692086000  0.032379742000  0.781181000000  1.029348800000  0.706747710000
 -0.005543820800 -0.011632136000  0.138531870000 -0.521201260000 -0.590618660000
 -0.012445196000 -0.002822943700 -0.027209393000 -0.949928030000 -1.349649500000
  0.000840812660 -0.002106867000  0.008260593900 -0.128112970000  0.545150860000
  0.004344539500  0.004076291000 -0.001508698600  0.009356607400  1.008045400000
  0.000601717460  0.000141821420  0.000939026740 -0.001124101600  0.159220290000
   14    4
  1709.80330      444.946420      116.088080      24.7870010
   42760.00000
   9391.000000
   3003.000000
   1159.300000
   503.1000000
   236.1000000
   113.5700000
   58.35000000
   29.99000000
   16.01900000
   8.582000000
   4.607000000
   2.372000000
   1.095700000
  0.005215689000  0.002892487800  0.001553769100  0.000778132970
  0.027733430000  0.015483089000  0.008348799600  0.004219727400
  0.100984720000  0.058109839000  0.031530268000  0.015853420000
  0.256995880000  0.152973450000  0.083952532000  0.042633231000
  0.407046710000  0.252547090000  0.139757560000  0.070512457000
  0.321232480000  0.111337890000  0.042867329000  0.019673695000
  0.078376297000 -0.383920650000 -0.339405100000 -0.196451720000
 -0.012351900000 -0.559815170000 -0.490449460000 -0.275875250000
  0.001083053500 -0.193043190000  0.192296930000  0.189558960000
  0.005871419400 -0.002275313500  0.720615410000  0.698099640000
  0.003226457700 -0.000466265650  0.306966660000  0.091839608000
 -0.002710095100 -0.000634104950  0.023591713000 -0.736442640000
 -0.001470873700 -0.001657165200  0.000646160990 -0.478880750000
 -0.000237332420 -0.000093923589 -0.000317460420 -0.058368384000
   11    2
  1062.80000      243.860000
   1992.000000
   606.1000000
   240.7000000
   108.3000000
   52.37000000
   25.83000000
   13.15000000
   6.630000000
   3.351000000
   1.621000000
  0.6988000000
  0.014647938000  0.008570707400
  0.088906174000  0.053533897000
  0.275335600000  0.167424860000
  0.442322950000  0.257288950000
  0.313717490000  0.020554045000
  0.073392316000 -0.451799180000
 -0.000146530490 -0.494549550000
  0.000519374300 -0.144278720000
  0.000628885760 -0.005899709300
  0.000594528770 -0.000574586350
  0.000041174715  0.000212929160
    6    1
  141.660000
   315.1000000
   109.9200000
   46.81000000
   21.50000000
   10.12800000
   4.518000000
  0.023394647000
  0.128897070000
  0.330894010000
  0.443461920000
  0.284622250000
  0.058845287000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MdQR(4K)-[Xe,4f,5d]
End of Spectral Representation Operator

/No.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.34e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* NoQR3H NoQR3H-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: NoQR3H-[Xe,4f]
* mv+dw from NoQR(3H)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  NoQR3H NoQR3H-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
*
 34.000000         4

   14    2
   55862222.30
   3273682.470
   302677.5110
   37699.73290
   5007.138640
   348.6910240
   63.77703750
   15.22383030
   4.773288250
   3.323958820
  0.8544963750
  0.3959103360
  0.9031440000E-01
  0.3473092770E-01
 -0.000059512333  0.000016097399
 -0.000356909011  0.000096539072
 -0.001691491100  0.000457536186
 -0.007506698450  0.002030223230
 -0.027181188700  0.007350251050
  0.117266094000 -0.031727459600
 -0.380637215000  0.103945137000
  0.893554639000 -0.251947507000
 -0.600800926000  0.186464770000
 -0.806661786000  0.251367068000
  0.943121125000 -0.420049140000
  0.448602476000 -0.337590840000
  0.012143943100  0.667489784000
 -0.002607042580  0.549777094000
   10    1
   11037.74910
   2225.127570
   629.0114530
   86.63142890
   17.72665310
   5.323218090
   3.562379570
  0.8273164280
  0.3723656140
  0.1492180690
  0.002313029110
  0.014735454600
  0.042606329700
 -0.153143264000
  0.372556693000
 -0.230242870000
 -0.447540407000
  0.612994221000
  0.477482392000
  0.081021290600
   12    2
   2792.291950
   797.1047880
   294.1785520
   122.9820230
   27.23934360
   14.65877360
   5.803508680
   3.023448870
   1.435950180
  0.5365918290
  0.1862733250
  0.5836236160E-01
  0.002314575690 -0.000495709758
  0.017903197400 -0.003813531530
  0.071446534500 -0.015339324300
  0.131835055000 -0.027933116300
 -0.293589652000  0.067683058100
 -0.254240221000  0.050454128700
  0.381227697000 -0.108308763000
  0.542757029000 -0.151379878000
  0.228692070000  0.039561952000
  0.019839053600  0.352047643000
 -0.001039221460  0.511563316000
  0.000368789535  0.355700660000
    9    1
   411.1830350
   139.4338300
   57.05562050
   25.01509890
   5.536292020
   2.649612540
   1.241693960
  0.5548382390
  0.2226178300
 -0.005374032340
 -0.036671129600
 -0.114520910000
 -0.160263083000
  0.294212164000
  0.411536439000
  0.326363582000
  0.171947767000
  0.046777298400
    3    1
 4.79900000D+00
 1.67400000D+00
 5.34300000D-01
 5.70379252D-01
 5.04809016D-01
 2.02541846D-01
*
* Core AIMP: NoQR3H NoQR3H-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   640573.7900
   165523.7500
   59118.20100
   22838.46200
   9255.468500
   3782.425600
   1628.037100
   785.4358400
   297.8764900
   155.9787000
   32.40929600
   17.01585600
   7.419530300
   4.014518700
  0.3645210000E-01

  0.027047632353
  0.019899088824
  0.029804550000
  0.042144617647
  0.053928697059
  0.071906894118
  0.124678761765
  0.143711358824
  0.126360058824
  0.386759617647
  0.577581264706
  0.151334735294
  0.208541058824
  0.036294779412
  0.000006863691
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  11136.3130      2185.40130      576.245410      159.052050      38.4211930
   20177413.00
   1943261.900
   333527.7600
   77935.93500
   22297.00200
   7391.394000
   2748.836700
   1124.241600
   480.9076100
   223.5400500
   95.18506800
   50.54926300
   22.85442000
   12.90964000
   6.150473300
   3.408019500
   1.665000000
  0.005214236700  0.002315344400  0.001138296200  0.000602322640  0.000312669600
  0.015118144000  0.006793310100  0.003358325300  0.001775727500  0.000921979520
  0.037872248000  0.017487892000  0.008643463000  0.004585311400  0.002381466700
  0.087512075000  0.041542784000  0.020780921000  0.011008401000  0.005720028600
  0.184460060000  0.091998208000  0.046029191000  0.024527326000  0.012751946000
  0.324720110000  0.170740880000  0.087426840000  0.046510078000  0.024204923000
  0.382534300000  0.215940360000  0.109677320000  0.058988005000  0.030722007000
  0.198115210000  0.002140053600 -0.018525382000 -0.014436950000 -0.008129660800
 -0.004413227600 -0.494691500000 -0.445012480000 -0.273146110000 -0.148216540000
 -0.030662293000 -0.535366870000 -0.554370540000 -0.372095130000 -0.207298930000
  0.008617020900 -0.098314371000  0.465733400000  0.541843490000  0.350491420000
  0.025245050000  0.034823786000  0.793549940000  1.045274400000  0.719956370000
 -0.004886026000 -0.012458528000  0.144899970000 -0.491505390000 -0.564126330000
 -0.013354328000 -0.002569483100 -0.028425751000 -0.967717510000 -1.375543600000
  0.000854351260 -0.002541948200  0.008495969300 -0.135322160000  0.518507640000
  0.004479384500  0.004385506700 -0.001508155400  0.009885776600  1.024307600000
  0.000670388640  0.000146463330  0.000976692550 -0.001201698600  0.167403450000
   14    4
  1752.29900      457.556930      119.916390      25.6519150
   43990.00000
   9621.000000
   3070.000000
   1183.500000
   513.2000000
   240.8000000
   115.9000000
   59.55000000
   30.58000000
   16.36400000
   8.770000000
   4.720000000
   2.432000000
   1.122900000
  0.005293529000  0.002941880000  0.001584067900  0.000796835120
  0.028064002000  0.015703320000  0.008490602500  0.004307841300
  0.101870080000  0.058744448000  0.031952813000  0.016135758000
  0.258485050000  0.154139930000  0.084818200000  0.043240522000
  0.407684150000  0.253001090000  0.140258960000  0.071068275000
  0.319687240000  0.108354350000  0.040782120000  0.018525920000
  0.076961036000 -0.388045010000 -0.344415510000 -0.200251040000
 -0.012633038000 -0.558416620000 -0.488836480000 -0.276190080000
  0.001157456100 -0.190084520000  0.202346120000  0.199703640000
  0.006154561800 -0.001262296000  0.721854490000  0.705089960000
  0.003156399400 -0.000608195720  0.300033530000  0.073201637000
 -0.002799112600 -0.000659783600  0.022161759000 -0.741720560000
 -0.001490973800 -0.001691804900  0.000651739100 -0.469254600000
 -0.000234232640 -0.000088859386 -0.000315896390 -0.056082219000
   11    2
  1092.33000      252.180000
   2025.000000
   615.9000000
   244.6000000
   110.1000000
   53.26000000
   26.30000000
   13.42000000
   6.783000000
   3.432000000
   1.662000000
  0.7162000000
  0.014898790000  0.008754505800
  0.090117333000  0.054481091000
  0.277754500000  0.169566400000
  0.443114800000  0.258061070000
  0.310934890000  0.015305685000
  0.071489128000 -0.457374710000
 -0.000304993580 -0.490288450000
  0.000507485110 -0.140047970000
  0.000673388830 -0.005633409200
  0.000588709210 -0.000536782560
  0.000042685815  0.000194087070
    6    1
  147.750000
   326.1000000
   113.8600000
   48.55000000
   22.33000000
   10.53300000
   4.702000000
  0.023046446000
  0.127459770000
  0.329125300000
  0.444163080000
  0.286015970000
  0.058915331000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NoQR(3H)-[Xe,4f,5d]
End of Spectral Representation Operator

/Lr.ECP.Seijo.14s10p12d9f3g.2s1p2d1f1g.35e-CG-AIMP.
L.Seijo, Z.Barandiaran, B.Ordejon, Mol.Phys. 101(2003)73. Relativistic.
core=[Xe,4f], [6s5p6d4f1g] recommended
*
* LrQR2D LrQR2D-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: LrQR2D-[Xe,4f]
* mv+dw from LrQR(2D)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  LrQR2D LrQR2D-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
*
 35.000000         4

   14    2
   62503247.20
   3638942.640
   332360.0370
   40668.36190
   5172.722050
   359.0060540
   66.01698870
   15.76165060
   4.951531910
   3.420573560
  0.8942626120
  0.4142578440
  0.9438274550E-01
  0.3628559810E-01
 -0.000059478870  0.000016114300
 -0.000356378023  0.000096550752
 -0.001686186270  0.000456839572
 -0.007510823530  0.002034538730
 -0.028059280800  0.007599478360
  0.117483028000 -0.031825261900
 -0.381500498000  0.104326094000
  0.899425205000 -0.254068773000
 -0.638455336000  0.198344899000
 -0.775949688000  0.242397405000
  0.936690908000 -0.415856962000
  0.456923461000 -0.345262108000
  0.012680400400  0.668532281000
 -0.002718535310  0.550144720000
   10    1
   11414.14150
   2294.562960
   647.0502530
   88.96062550
   18.25933340
   5.656957010
   3.742222370
  0.8509737670
  0.3817752640
  0.1525372840
  0.002335149850
  0.014845814400
  0.042961488400
 -0.154104956000
  0.375233897000
 -0.206572281000
 -0.470094271000
  0.614176598000
  0.475574956000
  0.080075414700
   12    2
   2867.515060
   817.9281240
   301.7344000
   126.1449570
   28.00433300
   15.18227350
   5.911721640
   3.062898030
   1.443634410
  0.5193230170
  0.1740100230
  0.5279403280E-01
  0.002331914150 -0.000457686734
  0.018024099100 -0.003520032160
  0.071980358400 -0.014162254400
  0.132920188000 -0.025824260600
 -0.295057204000  0.062531791300
 -0.253730374000  0.045659743100
  0.397054911000 -0.102729292000
  0.539758380000 -0.137586225000
  0.217317025000  0.046143803600
  0.016919100100  0.342512588000
 -0.001056737770  0.507416502000
  0.000350838156  0.379774711000
    9    1
   425.0851540
   144.1659280
   59.02646920
   25.91235590
   5.763027210
   2.765390420
   1.299659210
  0.5824924320
  0.2344956760
 -0.005371148150
 -0.036811263500
 -0.115571519000
 -0.162538003000
  0.296741612000
  0.411425140000
  0.324312426000
  0.170271710000
  0.046003328300
    3    1
 4.99300000D+00
 1.74600000D+00
 5.59600000D-01
 5.74096713D-01
 5.01937071D-01
 1.99428325D-01
*
* Core AIMP: LrQR2D LrQR2D-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
M1
   15
   664800.8900
   171357.5500
   61045.42100
   23498.19200
   9480.956500
   3864.021600
   1665.030600
   804.5177400
   305.5822900
   160.3386200
   33.33475600
   17.32610500
   7.633071300
   4.122577700
  0.7611000000E-02

  0.026257276571
  0.019353377429
  0.029007945714
  0.041072311429
  0.052574700000
  0.070231051429
  0.121442360000
  0.138718471429
  0.122848142857
  0.375334771429
  0.564407028571
  0.145561311429
  0.202095285714
  0.033947528571
  0.000005596064
M2
    0
COREREP
   1.0
PROJOP
    3
   17    5
  11422.0360      2250.47880      594.782440      164.790890      39.9198370
   20957413.00
   2013261.900
   344227.7600
   80105.93500
   22887.00200
   7586.394000
   2819.836700
   1151.641700
   494.0076100
   229.8400500
   97.76506800
   51.92926300
   23.44442000
   13.25864000
   6.302473300
   3.484019500
   1.702000000
  0.005460964800  0.002438587800  0.001199808000  0.000635902490  0.000331276930
  0.015671400000  0.007082355100  0.003503825700  0.001855762200  0.000967172480
  0.038980147000  0.018097762000  0.008951717700  0.004756554600  0.002478927900
  0.089268109000  0.042625513000  0.021340982000  0.011324155000  0.005907083400
  0.186144410000  0.093319966000  0.046720208000  0.024936953000  0.013008000000
  0.324992160000  0.171513740000  0.087879059000  0.046822183000  0.024466794000
  0.381348560000  0.214258590000  0.108555480000  0.058447873000  0.030518757000
  0.196896490000 -0.002606199900 -0.022013240000 -0.016558843000 -0.009247415400
 -0.005444860300 -0.495440480000 -0.446915490000 -0.274936110000 -0.149921700000
 -0.031066976000 -0.532376420000 -0.548408610000 -0.368458300000 -0.205803970000
  0.008976586500 -0.097305507000  0.471644400000  0.551513900000  0.358149650000
  0.025907895000  0.035446541000  0.789131440000  1.039105100000  0.720541450000
 -0.005387913300 -0.012875610000  0.142766170000 -0.507997040000 -0.591831540000
 -0.013603116000 -0.002717493400 -0.028848913000 -0.959313770000 -1.369088800000
  0.001101058500 -0.002388635600  0.008648604700 -0.130363430000  0.564177860000
  0.004537461100  0.004441449700 -0.001494333700  0.009909016200  1.002715800000
  0.000641250850  0.000126110560  0.000974703800 -0.001197125000  0.156361740000
   14    4
  1795.45600      470.385110      123.813810      26.5350410
   45550.00000
   9941.000000
   3170.000000
   1221.900000
   529.5000000
   248.2000000
   119.5700000
   61.42000000
   31.56000000
   16.88300000
   9.047000000
   4.878000000
   2.514000000
   1.161100000
  0.005319299900  0.002961522900  0.001598715300  0.000807463870
  0.028038089000  0.015725741000  0.008523294900  0.004340399800
  0.101318190000  0.058520409000  0.031910029000  0.016178035000
  0.256907970000  0.153418380000  0.084608953000  0.043293168000
  0.407065740000  0.252633030000  0.140357250000  0.071400845000
  0.321577690000  0.110887820000  0.042406781000  0.019394642000
  0.078227011000 -0.384102630000 -0.342016170000 -0.199728550000
 -0.012705993000 -0.560157600000 -0.492389310000 -0.279797910000
  0.000973076110 -0.192786970000  0.197550840000  0.198159830000
  0.006463953000 -0.001423692300  0.724798090000  0.712184470000
  0.003183729200 -0.000512051700  0.301077370000  0.071314936000
 -0.002861111000 -0.000737559800  0.022016106000 -0.743819450000
 -0.001541940700 -0.001724797800  0.000686488210 -0.467867880000
 -0.000238075580 -0.000094641707 -0.000321419700 -0.055970334000
   11    2
  1122.24000      260.640000
   2096.000000
   636.8000000
   252.7000000
   113.7000000
   55.01000000
   27.18000000
   13.89000000
   7.036000000
   3.565000000
   1.728000000
  0.7452000000
  0.014643679000  0.008637131100
  0.088803080000  0.053881462000
  0.275262490000  0.168663790000
  0.442413080000  0.259011370000
  0.313774650000  0.019792145000
  0.073265143000 -0.454890300000
 -0.000324517670 -0.492620460000
  0.000529064080 -0.141763850000
  0.000679027390 -0.005940716000
  0.000611980570 -0.000534004640
  0.000043693132  0.000186095250
    6    1
  154.960000
   339.2000000
   118.4600000
   50.53000000
   23.26000000
   10.98500000
   4.907000000
  0.022443963000
  0.125165380000
  0.326472470000
  0.444937350000
  0.288699810000
  0.059689115000
*
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LrQR(2D)-[Xe,4f,5d]
End of Spectral Representation Operator

*
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
* C.2. Non-relativistic core AIMPs: NR-AIMP                                    *
********************************************************************************
********************************************************************************
*                                                               recommended    *
*                                                               contraction    *
*       C.2.1. Main Group Elements                                             *
*         C.2.1.1. Alkaline Elements                                           *
*           /Li.ECP.Huzinaga.5s1p.1s1p.1e-NR-AIMP.                  2s1p       *
*           /Na.ECP.Seijo.7s6p.1s2p.7e-NR-AIMP.                     2s3p       *
*           /K.ECP.Seijo.9s7p.1s2p.7e-NR-AIMP.                      2s3p       *
*           /Rb.ECP.Seijo.11s9p6d.1s2p1d.7e-NR-AIMP.                2s3p1d     *
*           /Cs.ECP.Seijo.13s11p8d.1s2p1d.7e-NR-AIMP.               3s3p1d     *
*         C.2.1.2. Alkaline Earth Elements                                     *
*           /Be.ECP.Huzinaga.5s1p.1s1p.2e-NR-AIMP.                  2s1p       *
*           /Mg.ECP.Seijo.7s6p1d.1s2p1d.8e-NR-AIMP.                 2s3p1d     *
*           /Ca.ECP.Seijo.9s7p5d.1s2p3d.8e-NR-AIMP.                 2s3p3d     *
*           /Sr.ECP.Seijo.11s9p7d.1s2p1d.8e-NR-AIMP.                3s3p3d     *
*           /Ba.ECP.Seijo.13s11p8d.1s2p1d.8e-NR-AIMP.               3s3p3d     *
*         C.2.1.3. Group IIIA Elements                                         *
*           /B.ECP.Huzinaga.5s5p1d.1s1p1d.3e-NR-AIMP.               2s3p1d     *
*           /Al.ECP.Huzinaga.7s6p1d.1s1p1d.3e-NR-AIMP.              2s3p1d     *
*           /Ga.ECP.Huzinaga.9s8p4d.1s1p2d.3e-NR-AIMP.              3s3p2d     *
*           /In.ECP.Barandiaran.11s10p7d.1s1p2d.13e-NR-AIMP.        3s3p3d     *
*           /Tl.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.13e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.4. Group IVA Elements                                          *
*           /C.ECP.Huzinaga.5s5p1d.1s1p1d.4e-NR-AIMP.               2s3p1d     *
*           /Si.ECP.Huzinaga.7s6p1d.1s1p1d.4e-NR-AIMP.              2s3p1d     *
*           /Ge.ECP.Huzinaga.9s8p4d.1s1p2d.4e-NR-AIMP.              3s3p2d     *
*           /Sn.ECP.Barandiaran.11s10p7d.1s1p2d.14e-NR-AIMP.        3s3p3d     *
*           /Pb.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.14e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.5. Group VA Elements                                           *
*           /N.ECP.Huzinaga.5s5p1d.1s1p1d.5e-NR-AIMP.               2s3p1d     *
*           /P.ECP.Huzinaga.7s6p1d.1s1p1d.5e-NR-AIMP.               2s3p1d     *
*           /As.ECP.Huzinaga.9s8p4d.1s1p2d.5e-NR-AIMP.              3s3p2d     *
*           /Sb.ECP.Barandiaran.11s10p7d.1s1p2d.15e-NR-AIMP.        3s3p3d     *
*           /Bi.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.15e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.6. Group VIA Elements (Calcogens)                              *
*           /O.ECP.Huzinaga.5s6p1d.1s2p1d.6e-NR-AIMP.               2s4p1d     *
*           /S.ECP.Huzinaga.7s6p1d.1s1p1d.6e-NR-AIMP.               2s3p1d     *
*           /Se.ECP.Huzinaga.9s8p4d.1s1p2d.6e-NR-AIMP.              3s3p2d     *
*           /Te.ECP.Barandiaran.11s10p7d.1s1p2d.16e-NR-AIMP.        3s3p3d     *
*           /Po.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.16e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.7. Group VIIA Elements (Halogens)                              *
*           /F.ECP.Huzinaga.5s6p1d.1s2p1d.7e-NR-AIMP.               2s4p1d     *
*           /Cl.ECP.Huzinaga.7s7p1d.1s2p1d.7e-NR-AIMP.              2s4p1d     *
*           /Br.ECP.Huzinaga.9s8p4d.1s1p2d.7e-NR-AIMP.              3s4p2d     *
*           /I.ECP.Barandiaran.11s10p7d.1s1p2d.17e-NR-AIMP.         3s4p3d     *
*           /At.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.17e-NR-AIMP.    3s4p3d2f   *
*         C.2.1.8. Group 0 Elements (Noble Gases)                              *
*           /Ne.ECP.Huzinaga.5s5p1d.1s1p1d.8e-NR-AIMP.              2s3p1d     *
*           /Ar.ECP.Huzinaga.7s6p1d.1s1p1d.8e-NR-AIMP.              2s3p1d     *
*           /Kr.ECP.Huzinaga.9s8p4d.1s1p2d.8e-NR-AIMP.              3s3p2d     *
*           /Xe.ECP.Barandiaran.11s10p7d.1s1p2d.18e-NR-AIMP.        3s3p3d     *
*           /Rn.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.18e-NR-AIMP.    3s4p3d2f   *
*       C.2.2. Transition Metal Elements                                       *
*         C.2.2.1. First Series Transition Metal Elements                      *
*           /Sc.ECP.Seijo.9s6p6d.1s2p2d.9e-NR-AIMP.                 3s3p4d     *
*           /Ti.ECP.Seijo.9s6p6d.1s2p2d.10e-NR-AIMP.                3s3p4d     *
*           /V.ECP.Seijo.9s6p6d.1s2p2d.11e-NR-AIMP.                 3s3p4d     *
*           /Cr.ECP.Seijo.9s6p6d.1s2p2d.12e-NR-AIMP.                3s3p4d     *
*           /Mn.ECP.Seijo.9s6p6d.1s2p2d.13e-NR-AIMP.                3s3p4d     *
*           /Fe.ECP.Seijo.9s6p6d.1s2p2d.14e-NR-AIMP.                3s3p4d     *
*           /Co.ECP.Seijo.9s6p6d.1s2p2d.15e-NR-AIMP.                3s3p4d     *
*           /Ni.ECP.Seijo.9s6p6d.1s2p2d.16e-NR-AIMP.                3s3p4d     *
*           /Cu.ECP.Seijo.9s6p6d.1s2p2d.17e-NR-AIMP.                3s3p4d     *
*           /Zn.ECP.Seijo.9s6p5d.1s2p1d.18e-NR-AIMP.                3s3p3d     *
*         C.2.2.2. Second Series Transition Metal Elements                     *
*           /Y.ECP.Barandiaran.11s8p7d.1s2p2d.9e-NR-AIMP.           3s3p4d     *
*           /Zr.ECP.Barandiaran.11s8p7d.1s2p2d.10e-NR-AIMP.         3s3p4d     *
*           /Nb.ECP.Barandiaran.11s8p7d.1s2p2d.11e-NR-AIMP.         3s3p4d     *
*           /Mo.ECP.Barandiaran.11s8p7d.1s2p2d.12e-NR-AIMP.         3s3p4d     *
*           /Tc.ECP.Barandiaran.11s8p7d.1s2p2d.13e-NR-AIMP.         3s3p4d     *
*           /Ru.ECP.Barandiaran.11s8p7d.1s2p2d.14e-NR-AIMP.         3s3p4d     *
*           /Rh.ECP.Barandiaran.11s8p7d.1s2p2d.15e-NR-AIMP.         3s3p4d     *
*           /Pd.ECP.Barandiaran.11s8p7d.1s2p2d.16e-NR-AIMP.         3s3p4d     *
*           /Ag.ECP.Barandiaran.11s8p7d.1s2p2d.17e-NR-AIMP.         3s3p4d     *
*           /Cd.ECP.Barandiaran.11s8p6d.1s2p1d.18e-NR-AIMP.         3s3p3d     *
*         C.2.2.3 Lanthanum and Third Series Transition Metal Elements         *
*           /La.ECP.Casarrubios.13s10p8d.1s2p2d.9e-NR-AIMP.         3s3p3d     *
*           /Hf.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.10e-NR-AIMP.    3s3p4d2f   *
*           /Ta.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.11e-NR-AIMP.    3s3p4d2f   *
*           /W.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.12e-NR-AIMP.     3s3p4d2f   *
*           /Re.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.13e-NR-AIMP.    3s3p4d2f   *
*           /Os.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.14e-NR-AIMP.    3s3p4d2f   *
*           /Ir.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.15e-NR-AIMP.    3s3p4d2f   *
*           /Pt.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.16e-NR-AIMP.    3s3p4d2f   *
*           /Au.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.17e-NR-AIMP.    3s3p4d2f   *
*           /Hg.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.18e-NR-AIMP.    3s3p4d2f   *
********************************************************************************
*
* - Except when indicated otherwise, polarization functions are taken from
*   S.Huzinaga (Editor), J.Andzelm, M.Klobukowski, E.Radzio, Y.Sakai,
*   and H.Tatewaki, "Gaussian Basis Sets for Molecular Calculations"
*   (Elsevier, Amsterdam, 1984).
*
********************************************************************************
*    C.2.1. Main Group Elements
********************************************************************************
*
********************************************************************************
*         C.2.1.1. Alkaline Elements
********************************************************************************
*
/Li.ECP.Huzinaga.5s1p.1s1p.1e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[He] val[2s]     (41/1*)=2s1p recommended
*LI-S(5/1)                     (41/1) recommended
  1.000000         1

    5    1
   30.38141270
   4.490149250
   .8668380020
   .6301465740E-01
   .2432363190E-01
  -.013572912500
  -.076451127700
  -.191717144000
   .684843845000
   .389591682000
    1    1
   .7600000000E-01
  1.000000000000
*
* Core AIMP: LI-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    8
   197775.8700
   17359.37600
   2589.814200
   479.8584000
   100.9923800
   23.34418900
   6.031374800
   1.824793300

   .012836590000
   .023658825000
   .052932288000
   .113405280000
   .243128080000
   .524191860000
   .766184490000
   .263662590000
M2
    0
COREREP
   1.0
PROJOP
    0
   14    1
  4.95547040
   22419.73600
   3411.920600
   791.5679800
   230.1993000
   77.24497200
   28.21535300
   10.94532000
   4.455509900
   1.891234900
   .8416808800
   .3824588400
   .1071271700
   .4948945700E-01
   .2209723200E-01
   .000025371339
   .000192293190
   .000980069990
   .003938982200
   .013645109000
   .042188668000
   .111024210000
   .231957520000
   .348555930000
   .307358130000
   .100608800000
   .002648971200
  -.000296084850
   .000314285710
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.7s6p.1s2p.7e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132;
L.S. and Z.B., unpublished.     core[Be] val[2p,3s]   (61/411*)=2s3p recommended
*NA-PS(7/51)                   (61/411)
  7.000000         1

    7    1
   630.9042460
   94.88866070
   20.91960790
   1.713753730
   .5085229060
   .5852402520E-01
   .2329278000E-01
   .002083493300
   .013809422300
   .039910299200
  -.126419321000
  -.195880672000
   .638329841000
   .460086346000
    6    2
   75.99705940
   17.39750200
   5.213510890
   1.667097730
   .5137245180
   .6100000000E-01
   .015253770600   .000000000000
   .098947654000   .000000000000
   .311271401000   .000000000000
   .493616484000   .000000000000
   .325234288000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: NA-2S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   278669.0000
   33464.30000
   6352.280000
   1494.370000
   419.3420000
   134.2940000
   46.72100000
   10.17760000
   3.676900000
   1.481600000

   .006677747286
   .009851848714
   .019858291429
   .037290198571
   .068187808571
   .105697198571
   .085167694286
   .068416807143
   .129828790000
   .040452185714
M2
    0
COREREP
   1.0
PROJOP
    0
   16    2
  80.9566000      5.59374200
   415780.4300
   62811.13100
   14035.58500
   3975.697900
   1265.433800
   431.8954200
   155.1400800
   58.74279400
   23.33614200
   9.664021400
   4.017416700
   1.669831700
   .6932795900
   .2776661000
   .6904023300E-01
   .2651721600E-01
   .000018211947  -.000004448299
   .000143837470  -.000035114292
   .000763566660  -.000186707730
   .003233215600  -.000791255480
   .012308099000  -.003035642700
   .042705574000  -.010701747000
   .127230980000  -.033447901000
   .292007470000  -.085698088000
   .415839130000  -.161321420000
   .234262660000  -.143651390000
   .022707886000   .148323160000
   .002963215800   .515492150000
  -.000555255170   .438286610000
   .000439850920   .064288864000
  -.000137933910  -.001582442300
   .000052767263   .000755024680
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/K.ECP.Seijo.9s7p.1s2p.7e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
L.S. and Z.B., unpublished.   core[Mg] val[3p,4s]     (81/511*)=2s3p recommended
*K-PS(9/61)                    (81/511)
  7.000000         1

    9    1
   1950.332240
   293.8766700
   65.84539890
   6.471938780
   3.323358380
   .6962357940
   .2481927420
   .3849457170E-01
   .1661280840E-01
  -.001015597440
  -.006899194030
  -.020721481900
   .068016233500
   .062447272800
  -.197389404000
  -.269372455000
   .688769833000
   .446922353000
    7    2
   125.0645310
   28.65704550
   8.309088200
   1.025350920
   .4011662660
   .1580261650
   .3900000000E-01
  -.017050229300   .000000000000
  -.096385117100   .000000000000
  -.208744350000   .000000000000
   .468647697000   .000000000000
   .499527513000   .000000000000
   .146916817000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: K-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   299115.0000
   38393.50000
   7976.610000
   2074.710000
   626.8170000
   210.7690000
   66.48420000
   22.95640000
   9.723750000
   1.947320000
   .8194490000

   .017585765714
   .024492154286
   .045965665714
   .083124381429
   .140924278571
   .181042771429
   .202410200000
   .439370142857
   .337459242857
   .160859100000
   .081052002857
M2
    0
COREREP
   1.0
PROJOP
    1
   19    3
  267.065560      28.9794860      3.49716760
   1219069.700
   217894.5000
   54252.06000
   14848.54300
   4370.440000
   1414.404800
   499.8955000
   191.6146000
   77.06294700
   32.23450500
   13.53878800
   5.749909200
   2.492404100
   1.044382300
   .4512485100
   .1845359400
   .1135069600
   .3444661800E-01
   .1491592300E-01
   .000017776155  -.000005104288   .000001683947
   .000108448340  -.000031175663   .000010253767
   .000547513180  -.000157265450   .000051942280
   .002636181800  -.000759745910   .000249840590
   .011077250000  -.003207141400   .001060439300
   .040159291000  -.011860645000   .003907467600
   .119225330000  -.036858442000   .012283698000
   .274884200000  -.095560140000   .031948492000
   .412288610000  -.186296650000   .064957089000
   .257743990000  -.181111120000   .064729932000
   .031201105000   .182381920000  -.069638876000
   .002024906400   .652322080000  -.377580080000
  -.000887451420   .328612650000  -.314556810000
   .000668952330   .006859149200   .435165280000
  -.000542691220   .008516125300   .683230170000
   .000456114030  -.005967116000   .194426460000
  -.000286070430   .003836057100  -.023918309000
   .000059896026  -.000810617070   .004225901800
  -.000020237478   .000272523670  -.001011644600
   11    1
  23.0380220
   1414.404800
   499.8955000
   191.6146000
   77.06294700
   32.23450500
   13.53878800
   5.749909200
   2.492404100
   1.044382300
   .4512485100
   .1845359400
   .000804898890
   .003257830400
   .015932073000
   .058627737000
   .175327980000
   .364253960000
   .413069310000
   .160743750000
   .009477740900
   .001022626300
  -.000220678530
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Rb.ECP.Seijo.11s9p6d.1s2p1d.7e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
L.S. and Z.B., unpublished. core[Zn] val[4p,5s]  (10,1/711*/6o)=2s3p1d recomm.
*
* - (6o) d orthogonality function is the 3d core orbital
*
*RB-PS(A1/81/6)                (A01/711/6)
  7.000000         2

   11    1
   7977.100690
   1190.958390
   266.6192370
   28.55993000
   14.38542250
   6.059453270
   2.793637500
   .5060493850
   .1944750240
   .3405981850E-01
   .1503893100E-01
   .000466665503
   .003300613170
   .010596962800
  -.040522243400
  -.027498780700
   .038321466100
   .146173093000
  -.239569373000
  -.288606487000
   .698381011000
   .456426803000
    9    2
   642.5554980
   150.4002830
   46.51113500
   6.708949860
   3.037114530
   .8218800530
   .3577993880
   .1434597610
   .3400000000E-01
   .005368702360   .000000000000
   .034248837200   .000000000000
   .084812388700   .000000000000
  -.204667452000   .000000000000
  -.198419142000   .000000000000
   .369683819000   .000000000000
   .563540488000   .000000000000
   .218231050000   .000000000000
   .000000000000  1.000000000000
    6    1
   111.5950000
   34.28250000
   13.31510000
   5.597050000
   2.389710000
   .9474200000
   .026656085200
   .133884528000
   .319212406000
   .422376305000
   .302249848000
   .074456183800
*
* Core AIMP: RB-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   360544.0000
   53412.90000
   12225.62000
   3396.000000
   1083.486000
   354.5360000
   121.5466000
   52.18970000
   14.24520000
   6.511370000
   1.965520000
   .7115290000

   .041561692857
   .051886792857
   .096033642857
   .167497700000
   .247090185714
   .296728100000
   .580275214286
   .551984985714
   .828553685714
  1.058155585714
   .244668957143
   .121277730000
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1102.91380      150.098340      24.2658230      3.04672690
   9160644.800
   1418114.300
   347654.2200
   94658.06800
   28524.90200
   9094.212700
   3164.149000
   1201.900900
   489.7624000
   210.5022900
   93.03847700
   41.75079400
   18.97761200
   8.555894000
   3.900354300
   1.810783700
   .7828716600
   .3456916700
   .1478712100
   25.18405700
   .3351759900E-01
   .1508291100E-01
   .000008311993  -.000002620864   .000001061915  -.000000358646
   .000057227440  -.000018072453   .000007312039  -.000002470963
   .000293759660  -.000092610522   .000037548012  -.000012678389
   .001361712700  -.000430827470   .000174291060  -.000058907570
   .005740266300  -.001818446000   .000737883050  -.000249160180
   .021914991000  -.007043067800   .002854398300  -.000965128580
   .069818185000  -.023086181000   .009425157200  -.003184870900
   .179801720000  -.064506189000   .026494354000  -.008982144700
   .340617400000  -.144642740000   .061199976000  -.020778643000
   .372776360000  -.226553170000   .099746888000  -.034293902000
   .150383270000  -.092404515000   .047536068000  -.016199936000
   .000169455300   .418991210000  -.271246670000   .095618773000
  -.008498122500   .552768390000  -.565409610000   .205091250000
   .001397503400   .147661440000   .060967105000  -.019196349000
  -.000651164110  -.004782391100   .817157020000  -.487995230000
   .000305660200   .005132819200   .368285210000  -.416450960000
  -.000151066360  -.002377422300   .011492548000   .464025690000
   .000076473742   .001092724100   .003391395400   .737413770000
  -.000027179151  -.000412101210  -.000667127150   .155001000000
   .013274129000   .067091237000  -.010499394000   .016024017000
   .000008204003   .000123043510   .000242861210  -.002348339400
  -.000003693013  -.000055263477  -.000113510080   .001460301100
   14    2
  135.811900      18.9747950
   9094.212700
   3164.149000
   1201.900900
   489.7624000
   210.5022900
   93.03847700
   41.75079400
   18.97761200
   8.555894000
   3.900354300
   1.810783700
   .7828716600
   .3456916700
   .1478712100
   .000391914710  -.000162123130
   .001706944800  -.000701390330
   .008634404500  -.003605233500
   .033590934000  -.014123681000
   .109794500000  -.048017831000
   .271742950000  -.124315990000
   .423936730000  -.210048920000
   .285655080000  -.074704014000
   .048037994000   .366048560000
   .002739073300   .546072100000
  -.000379707750   .215995980000
   .000392700160   .014560568000
  -.000204903760   .000566580580
   .000061660853  -.000064755618
    9    1
  9.46402270
   489.7624000
   210.5022900
   93.03847700
   41.75079400
   18.97761200
   8.555894000
   3.900354300
   1.810783700
   .7828716600
   .001047786400
   .004264839100
   .021894271000
   .077153586000
   .210645210000
   .361881520000
   .365446790000
   .196579750000
   .041089989000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cs.ECP.Seijo.13s11p8d.1s2p1d.7e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
L.S. and Z.B., unpublished. core[Cd] val[5p,6s]  (11,1,1/911*/8o)=3s3p1d recomm.
*
* - (8o) d orthogonality function is the 4d core orbital
*
*CS-PS(A3/A01/8)               (A21/911/8)
  7.000000         2

   13    1
   18247.18990
   2715.546000
   607.1150670
   77.63931450
   51.90406130
   10.96039880
   7.630938770
   3.508398640
   1.584918080
   .4363179990
   .1666154510
   .2568723640E-01
   .1180396430E-01
  -.000278875481
  -.002005271780
  -.006686169730
   .010712785100
   .029105351100
  -.070196686700
  -.058765086200
   .061153034600
   .219675287000
  -.210787337000
  -.399840852000
   .791154452000
   .371657577000
   11    2
   1581.573940
   372.3565190
   117.3232480
   17.48693350
   6.849056040
   4.124353000
   1.675028330
   .8165937750
   .3185432660
   .1248554740
   .2600000000E-01
  -.002793717910   .000000000000
  -.018662767100   .000000000000
  -.049346633000   .000000000000
   .163156893000   .000000000000
   .134458714000   .000000000000
  -.302929117000   .000000000000
  -.388331119000   .000000000000
   .239114021000   .000000000000
   .686765850000   .000000000000
   .312684720000   .000000000000
   .000000000000  1.000000000000
    8    1
   295.0710000
   91.71190000
   35.95070000
   15.47320000
   6.948780000
   3.145980000
   1.400900000
   .5714900000
   .012776464000
   .070921517000
   .172825750000
   .176003850000
  -.152488230000
  -.516053600000
  -.410344020000
  -.090445954000
*
* Core AIMP: CS-4D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   412347.0000
   65357.90000
   15767.62000
   4575.390000
   1490.913000
   476.8710000
   185.9144000
   62.21500000
   27.35705000
   5.256090000
   3.065010000
   1.102969000
   .4690600000

   .066442394286
   .079280785714
   .143672700000
   .239564371429
   .319712514286
   .485330842857
   .821438814286
   .575718400000
  1.692870571429
  1.055656971429
   .997898414286
   .279244328571
   .100311777143
M2
    0
COREREP
   1.0
PROJOP
    2
   15    5
  2545.53760      396.287550      85.3860520      17.3909680      2.46320530
   71400.00000
   13000.00000
   3601.000000
   1223.000000
   472.2000000
   197.6000000
   83.48000000
   38.47000000
   14.39000000
   7.468000000
   2.923000000
   1.458000000
   .2509000000
   .4812000000
   .1168000000
   .008846084200   .002944251900   .001285013500   .000608127870   .000228031300
   .048338572000   .015939328000   .007354918000   .003322521300   .001226436600
   .166871710000   .060617935000   .027010843000   .012729248000   .004764965900
   .370230160000   .156457440000   .074786618000   .034120895000   .012624731000
   .410922450000   .263625550000   .126939710000   .061415435000   .023135840000
   .138646530000   .053153609000   .038373209000   .015346306000   .005354146800
   .002484541700  -.560746220000  -.458078470000  -.231330300000  -.087320822000
   .001383734700  -.540786300000  -.564432750000  -.338352820000  -.133740560000
  -.000904664470  -.076256460000   .606078800000   .542631900000   .234561770000
   .000585134830   .017837838000   .699476790000   .834032830000   .377450000000
  -.000307140770  -.006596962500   .080853820000  -.698089340000  -.426900090000
   .000184412920   .003689483800  -.012064552000  -.757502080000  -.723262600000
   .000062991026   .001162551100  -.002972798100   .013388214000   .738334830000
  -.000094582630  -.001773263700   .004657301200  -.055824313000   .442072750000
  -.000016644472  -.000305558050   .000725344460  -.002852105300   .178026980000
   12    3
  372.632330      75.1918540      13.5370540
   2932.000000
   764.6000000
   273.8000000
   114.3700000
   52.18000000
   23.87800000
   11.77200000
   5.832000000
   2.952000000
   1.477400000
   .6790000000
   .9420000000E-01
   .013653427000   .006432687800   .002884790900
   .081203417000   .039949121000   .018135217000
   .256204010000   .132764480000   .060774689000
   .431510570000   .246668640000   .115832350000
   .323251770000   .123795840000   .049382014000
   .073103046000  -.364120660000  -.240216410000
  -.001456015700  -.571544010000  -.428044280000
   .001945663400  -.199269640000   .067638584000
  -.001113850100  -.011766669000   .622392990000
   .000389911680  -.002067575800   .431514740000
  -.000108893570   .000294410720   .060345976000
   .000009255439  -.000017129430   .000321282600
    8    2
  56.4524270      6.75906880
   295.0710000
   91.71190000
   35.95070000
   15.47320000
   6.948780000
   3.145980000
   1.400900000
   .5714900000
   .029351188000   .012776464000
   .157462880000   .070921517000
   .385316040000   .172825750000
   .450336140000   .176003850000
   .187237470000  -.152488230000
   .015699272000  -.516053600000
   .000883940690  -.410344020000
  -.000268137670  -.090445954000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         C.2.1.2. Alkaline Earth Elements
********************************************************************************
*
/Be.ECP.Huzinaga.5s1p.1s1p.2e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[He] val[2s]     (41/1*)=2s1p recommended
*BE-S(5/1)                     (41/1)
  2.000000         1

    5    1
   65.23184480
   9.745076960
   2.004642880
   .1508481900
   .5132907430E-01
  -.013123519300
  -.078926576900
  -.209520426000
   .623612626000
   .462626019000
    1    1
   .1640000000
  1.000000000000
*
* Core AIMP: BE-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    8
   220020.6800
   20793.90600
   3317.972300
   665.2053400
   156.8030000
   40.27650200
   11.36574900
   3.651855200

   .008196736500
   .014339920500
   .030891991500
   .062359775000
   .124491390000
   .257297895000
   .364005525000
   .138416765000
M2
    0
COREREP
   1.0
PROJOP
    0
   14    1
  9.46532080
   39869.44400
   5843.784900
   1353.874800
   390.7620800
   128.9135500
   46.83576500
   18.23844500
   7.465300700
   3.188507200
   1.424216800
   .6537828900
   .2354653600
   .9607738900E-01
   .3997916500E-01
   .000026638308
   .000208945210
   .001057815900
   .004352750100
   .015368737000
   .047076888000
   .122472060000
   .252443180000
   .365696450000
   .281142610000
   .067230540000
   .000982971940
  -.000055594615
   .000008445224
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Mg.ECP.Seijo.7s6p1d.1s2p1d.8e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S.Huzinaga,  J.Chem.Phys. 94(1991)3762.
core[Be] val[2p,3s]     (61/411*/1*)=2s3p1d recommended
*
* - d polarization function for Mg(++) included
*
*MG-PS(7/51/1)                 (61/411/1)
  8.000000         2

    7    1
   741.3117270
   111.9881020
   24.88971880
   2.206016230
   .7878249010
   .1081504060
   .3931857560E-01
   .002809920040
   .018549038100
   .053244713200
  -.156727027000
  -.232454586000
   .616247232000
   .506402417000
    6    2
   97.28158910
   22.42789270
   6.795547410
   2.220332430
   .7131260830
   .1010000000
   .014661720300   .000000000000
   .096358878000   .000000000000
   .309392193000   .000000000000
   .499458373000   .000000000000
   .312380449000   .000000000000
   .000000000000  1.000000000000
    1    1
   3.444000000
  1.000000000000
*
* Core AIMP: MG-2S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    8
   178524.9800
   14932.79100
   2282.422600
   491.8095900
   132.5337800
   37.57949700
   6.808404600
   2.428000000

   .008741599000
   .016556165000
   .035920283750
   .070999386250
   .110491642500
   .065799897500
   .122456451250
   .069034573750
M2
    0
COREREP
   1.0
PROJOP
    0
   16    2
  98.0633940      7.53537600
   392037.1800
   61881.24700
   14148.41100
   3962.546400
   1265.042600
   433.2316700
   155.6685200
   58.88964000
   23.38982500
   9.533469500
   3.924812800
   1.635769900
   .6939290200
   .2720124400
   .9930834800E-01
   .3730264400E-01
   .000024084660  -.000006090507
   .000177429970  -.000044785728
   .000945630100  -.000239557970
   .004054039800  -.001025926000
   .015196278000  -.003891689100
   .052191888000  -.013585306000
   .152176340000  -.042087001000
   .330257430000  -.103925750000
   .412878540000  -.182155620000
   .176380330000  -.109503270000
   .005978373100   .267592230000
   .004389195000   .576443880000
  -.001706902300   .309804430000
   .000915748190   .013097782000
  -.000385585650   .001191217000
   .000114078590  -.000465438840
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ca.ECP.Seijo.9s7p5d.1s2p3d.8e-NR-AIMP.
L.Seijo, Z.Barandiaran, S.Huzinaga, JCP 94(1991)3762. (d set: L.G.M.Pettersson,
et al., Chem.Phys.82(1983)355. core[Mg] val[3p,4s] (81/511*/311)=2s3p3d recomm.
*
* - d set from
*   L.G.M.Pettersson, P.E.M.Siegbahn, and S.Ismail, Chem.Phys. 82(1983)355.
*
*CA-PS(9/61/311)               (81/511/311)
  8.000000         2

    9    1
   2143.021400
   324.2029870
   73.07714470
   7.092082470
   3.308246530
   .9683387210
   .3992296180
   .6242602550E-01
   .2506162110E-01
  -.001336828200
  -.009033866620
  -.027054028100
   .101840640000
   .079609387700
  -.202609473000
  -.356057799000
   .701817157000
   .455814734000
    7    2
   142.6178730
   32.79998340
   9.595815830
   1.215917920
   .4877978250
   .1930830980
   .5900000000E-01
  -.017864090800   .000000000000
  -.101927294000   .000000000000
  -.223296538000   .000000000000
   .496308735000   .000000000000
   .494201258000   .000000000000
   .115336531000   .000000000000
   .000000000000  1.000000000000
    5    3
   7.455000000
   1.866000000
   .5450000000
   .1677000000
   .5890000000E-01
   .062760000000   .000000000000   .000000000000
   .241760000000   .000000000000   .000000000000
   .410790000000   .000000000000   .000000000000
   .000000000000  1.000000000000   .000000000000
   .000000000000   .000000000000  1.000000000000
*
* Core AIMP: CA-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   293637.0500
   37148.55400
   7605.220200
   1958.489800
   594.6649200
   200.3398200
   62.16233000
   22.89654900
   10.07970500
   2.164655100
   .9777000000

   .016530513750
   .023295347500
   .044341583750
   .080087902500
   .132488425000
   .159871000000
   .195270725000
   .402383087500
   .239699862500
   .144544362500
   .061487182500
M2
    0
COREREP
   1.0
PROJOP
    1
   19    3
  298.727400      33.6454500      4.49063660
   1253429.200
   220930.3700
   50650.30200
   15029.95800
   4798.041700
   1656.551800
   608.3855800
   233.8971100
   94.30561500
   39.25740300
   16.29578700
   6.936828400
   3.046243200
   1.288805600
   .5427939600
   .2178128400
   .9840637100E-01
   .4124021000E-01
   .1870773000E-01
   .000018922595  -.000005490902   .000001894777
   .000131051810  -.000038067541   .000013115377
   .000670802490  -.000194741670   .000067248889
   .002719006900  -.000792174810   .000272829910
   .010575733000  -.003094323900   .001069896200
   .035575420000  -.010605420000   .003659923800
   .106492540000  -.033070146000   .011512247000
   .254623240000  -.088054740000   .030844307000
   .405524970000  -.178410480000   .064686309000
   .290613580000  -.198358340000   .074854310000
   .042835889000   .136667460000  -.055205654000
   .001842971600   .640894730000  -.375085570000
  -.000829760740   .369012600000  -.371271110000
   .000646951880   .017686156000   .432500680000
  -.000490734380   .005945382000   .745975790000
   .000305425390  -.002862920700   .137691780000
  -.000193261050   .001914554300  -.008642811400
   .000090020294  -.000900327930   .002135095700
  -.000027222704   .000273615890  -.000443134690
   11    1
  27.2583820
   1656.551800
   608.3855800
   233.8971100
   94.30561500
   39.25740300
   16.29578700
   6.936828400
   3.046243200
   1.288805600
   .5427939600
   .2178128400
   .000734614810
   .002756655700
   .014042226000
   .051852622000
   .164280920000
   .356624000000
   .418242790000
   .177621190000
   .013199547000
   .000696702660
  -.000177149340
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Sr.ECP.Seijo.11s9p7d.1s2p1d.8e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S.Huzinaga,  J.Chem.Phys. 94(1991)3762.
core[Zn] val[4p,5s]     (9,1,1/711*/411)=3s3p3d recommended
*
* - d function optimized in  Sr(+) (4d1-2D), from
*   L.Seijo, Z.Barandiaran, and S.Huzinaga,  J.Chem.Phys. 94(1991)3762.
*
*SR-PSD(A1/81/7)               (A01/711/421)
  8.000000         2

   11    1
   7955.451130
   1209.995380
   276.6866760
   30.45062670
   15.11130900
   5.823967480
   2.866764450
   .6469719310
   .3014326860
   .5188387950E-01
   .2145641790E-01
   .000645538248
   .004420243500
   .013725933300
  -.052931313000
  -.035830851100
   .067306778000
   .181788969000
  -.249804523000
  -.377701896000
   .735841829000
   .442328465000
    9    2
   675.7353920
   158.5252170
   49.22504170
   7.338456630
   3.482829630
   .8718102510
   .3865059390
   .1583839030
   .4800000000E-01
   .005900167910   .000000000000
   .037514416400   .000000000000
   .092294226100   .000000000000
  -.211908806000   .000000000000
  -.216496885000   .000000000000
   .445125293000   .000000000000
   .547438705000   .000000000000
   .149737445000   .000000000000
   .000000000000  1.000000000000
    7    1
   81.91937370
   23.07403470
   7.649957990
   2.494336290
   1.167686310
   .3573032770
   .1013309700
  -.009074461000
  -.045180040000
  -.089893360000
  -.064644420000
   .182027700000
   .465535380000
   .600373840000
*
* Core AIMP: SR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   325199.2800
   44991.53200
   9837.981700
   2640.372400
   814.4972400
   245.5292100
   89.21440900
   31.95465200
   11.02340800
   4.976020600
   1.394026500
   .6627600000

   .040209438750
   .053051818750
   .100448078750
   .176081250000
   .241889500000
   .336567512500
   .636588625000
   .361929850000
  1.064520162500
   .517036150000
   .179075925000
   .042601673750
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  1167.37640      160.782340      26.9499980      3.79325690
   16198.26500
   3000.988400
   851.6367300
   300.0535500
   120.8678000
   41.39026300
   18.09334100
   5.633462500
   2.716616900
   1.032422100
   .5080003500
   .2250000000
   .021985036000  -.006855398400   .002892526400  -.001044086100
   .110091220000  -.037559807000   .015048243000  -.005286963000
   .314092820000  -.116760520000   .050286832000  -.018192392000
   .451583060000  -.245261670000   .103638950000  -.036662041000
   .233756980000  -.147319790000   .078077396000  -.029700605000
   .018402742000   .501377870000  -.345066190000   .135223480000
  -.002844538700   .610210760000  -.545670880000   .221794010000
   .001103822100   .085608360000   .546819200000  -.285647220000
  -.000816624810  -.026703324000   .683030200000  -.628240830000
   .000437111380   .012358890000   .076305446000   .161763490000
  -.000239561890  -.006759177800  -.008622462600   .843877290000
   .000059683133   .001658770600   .002041102400   .286651410000
   10    2
  145.992800      21.3998880
   814.0568700
   209.7019100
   72.70780000
   28.94139200
   11.74831900
   5.177415700
   2.347788500
   .9518337400
   .4276000100
   .1830000000
   .031219786000  -.013262935000
   .167610890000  -.073889245000
   .419538520000  -.201684790000
   .441235780000  -.204589850000
   .124150520000   .226794170000
  -.002168924300   .585397180000
   .003900106400   .314570380000
  -.001669798000   .029243055000
   .000825653860  -.001347253000
  -.000241344490   .000322430460
    6    1
  11.3887700
   167.1432200
   51.05797300
   19.35444300
   7.869060400
   3.227000000
   1.247900000
   .014236818000
   .085452347000
   .260597960000
   .432761570000
   .372524750000
   .107018290000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ba.ECP.Seijo.13s11p8d.1s2p1d.8e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S.Huzinaga,  J.Chem.Phys. 94(1991)3762.
core[Cd] val[5p,6s]     (A111/911*/611)=3s3p3d recommended
*
* - d function optimized in  Ba(+) (5d1-2D), from
*   L.Seijo, Z.Barandiaran, and S.Huzinaga,  J.Chem.Phys. 94(1991)3762.
*
*BA-PSD(A3/A01/8)              (A111/911/611)
  8.000000         2

   13    1
   17626.90010
   2684.444720
   615.6971700
   78.44596350
   52.33208180
   15.86735060
   9.581307930
   3.486952360
   1.657140530
   .6229023190
   .2505628100
   .3805855810E-01
   .1630910870E-01
  -.000389738933
  -.002691551660
  -.008609323060
   .017477136200
   .034766993300
  -.015060801500
  -.147474890000
   .080519729600
   .300802030000
  -.180123475000
  -.560637929000
   .825018805000
   .363208809000
   11    2
   1628.640540
   384.7179410
   121.7014050
   18.57209220
   8.889091280
   3.930873300
   1.929830940
   .6106577310
   .2940633590
   .1245086440
   .3700000000E-01
  -.003076076190   .000000000000
  -.020413085500   .000000000000
  -.053651970100   .000000000000
   .169201451000   .000000000000
   .091533150200   .000000000000
  -.278466445000   .000000000000
  -.338819142000   .000000000000
   .400920831000   .000000000000
   .605336451000   .000000000000
   .175830113000   .000000000000
   .000000000000  1.000000000000
    8    1
   242.1144350
   70.74839360
   25.27568310
   4.627965320
   2.282007730
   .4385050180
   .1617953960
   .5903555430E-01
   .004592554130
   .025801059400
   .052226658300
  -.099268247200
  -.121876242000
   .315319120000
   .525354768000
   .351280478000
*
* Core AIMP: BA-4D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   417700.0000
   66950.00000
   15970.00000
   4433.000000
   1365.000000
   415.9000000
   163.8400000
   47.46700000
   26.18900000
   4.742800000
   1.971400000
   .6506800000

   .058866837500
   .069911237500
   .130582425000
   .227062587500
   .301400750000
   .507831987500
   .697817850000
   .734911712500
  1.174472112500
  1.485609750000
   .455594537500
   .155938162500
M2
    0
COREREP
   1.0
PROJOP
    2
   15    5
  2644.18100      414.308180      90.5613420      19.1124360      3.02515400
   49809.29400
   9725.338600
   2561.986100
   848.5508800
   328.6003100
   139.9498800
   62.78087300
   28.89307200
   13.44938100
   6.288898800
   2.945291300
   1.380004000
   .6466628200
   .3030280100
   .1420000000
   .013366288000  -.004404810900   .001979259500  -.000939374170   .000366903200
   .072282072000  -.024394832000   .011080178000  -.005096172400   .001988486600
   .252216370000  -.094755850000   .043460853000  -.020578639000   .008043044400
   .453647620000  -.220653670000   .105934230000  -.049282937000   .019278667000
   .313744920000  -.242419330000   .125728110000  -.062460836000   .024586297000
   .039638384000   .198914430000  -.125995870000   .068050596000  -.027104798000
   .003467794000   .682830360000  -.638953690000   .338972990000  -.136690930000
  -.002568411400   .304798070000  -.306894070000   .215542330000  -.091217417000
   .001823617900   .008028793600   .888169170000  -.857107980000   .391823270000
  -.001297133500   .004623513300   .512191210000  -.662750590000   .327851890000
   .000865062630  -.002989425200   .001822802600   .963719350000  -.633329820000
  -.000537896990   .001595616200   .015712426000   .611495630000  -.745442380000
   .000303781190  -.000885272320  -.007865530600   .015624351000   .462673830000
  -.000137528360   .000403619870   .003315596100   .008641392500   .854548950000
   .000036120669  -.000104019840  -.000889824020  -.001536015500   .171097690000
   12    3
  390.111760      80.0793380      15.0983320
   1942.173100
   502.2461000
   175.5012700
   71.79634900
   31.41293100
   14.07917100
   6.356776200
   2.875481200
   1.301217400
   .5888627100
   .2664898200
   .1206000000
   .028571772000  -.013607605000   .006308078300
   .158777370000  -.080244394000   .036564469000
   .409162570000  -.223158280000   .106173860000
   .437475450000  -.242087320000   .110019210000
   .139166220000   .227533810000  -.149379590000
   .003818596400   .664357510000  -.506224170000
   .001406799800   .256553830000   .047036781000
  -.000955674260   .004118013900   .752069420000
   .000474595120   .005043365200   .337977310000
  -.000273679130  -.002534443300   .012534979000
   .000129997690   .001179158600   .004391880800
  -.000038860264  -.000354469510  -.001233619200
    8    2
  60.8044460      8.00272800
   291.9224800
   90.42461300
   35.43989500
   15.35965600
   6.879231200
   3.106226000
   1.404561700
   .6352000000
   .032601652000  -.014592158000
   .172251840000  -.079264602000
   .401657810000  -.184809530000
   .440074830000  -.166843730000
   .166919850000   .196873010000
   .010140035000   .542291350000
   .001304346100   .354675610000
  -.000460582540   .074481737000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         C.2.1.3. Group IIIA Elements
********************************************************************************
*
/B.ECP.Huzinaga.5s5p1d.1s1p1d.3e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[He] val[2s,2p]     (41/311/1*)=2s3p1d recommended
*B-SP(5/5/1)                   (41/41/1)
  3.000000         2

    5    1
   111.5709980
   16.70882770
   3.522517440
   .2743428200
   .9031821850E-01
  -.013349831200
  -.083049251500
  -.225942929000
   .627975668000
   .462945691000
    5    1
   12.66875560
   2.752602560
   .7823775400
   .2478008560
   .7910665190E-01
   .012212356900
   .075256697700
   .268305708000
   .504885495000
   .366736008000
    1    1
   .3880000000
  1.000000000000
*
* Core AIMP: B-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   215139.2300
   19835.80000
   3054.838900
   575.0522600
   120.7903800
   27.81736200
   7.428552400

   .007050323000
   .012605634667
   .028059625333
   .061026773333
   .138448956667
   .266952373333
   .152522983333
M2
    0
COREREP
   1.0
PROJOP
    0
   14    1
  15.3906130
   52671.04700
   7957.452000
   1821.485800
   525.0274800
   174.9047400
   63.72072500
   24.67219700
   10.01800800
   4.234344000
   1.844206800
   .7647404200
   .3142257200
   .1284422800
   .5256145800E-01
   .000032735824
   .000252282610
   .001306466800
   .005299620300
   .018404924000
   .056343646000
   .145627140000
   .291305760000
   .384660940000
   .227251140000
   .025938077000
  -.000343089320
   .000305633560
  -.000003583605
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Al.ECP.Huzinaga.7s6p1d.1s1p1d.3e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*AL-SP(7/6/1)                  (61/51/1)
  3.000000         2

    7    1
   869.1453910
   131.4137710
   29.33143810
   2.734891610
   1.089032940
   .1680625070
   .6112679220E-01
   .003489715780
   .023077513600
   .066236014700
  -.186881396000
  -.270690882000
   .666608379000
   .475934213000
    6    1
   41.12780350
   9.122587480
   2.401722680
   .2221568890
   .8312326660E-01
   .3278318980E-01
  -.013367451500
  -.066023225600
  -.122471280000
   .360851755000
   .532001726000
   .231727331000
    1    1
   .1980000000
  1.000000000000
*
* Core AIMP: AL-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   322316.3600
   42989.92300
   8384.649500
   1758.576700
   391.2386700
   94.11328300
   19.50387400
   5.877198600
   2.175734800

   .024410849667
   .033404996667
   .071168633333
   .155752190000
   .338457166667
   .508127600000
   .673019933333
  1.159772900000
   .369219033333
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  117.002090      9.82129440
   440776.5600
   65831.35300
   14631.36100
   3973.700200
   1265.914800
   433.2426900
   155.6093400
   59.12170700
   23.58578700
   9.526845900
   3.898160200
   1.637544400
   .7034248300
   .2468365700
   .9707972000E-01
   .3768704300E-01
   .000026216901  -.000006820134
   .000204470410  -.000053092904
   .001140542100  -.000297278350
   .004995317900  -.001301204200
   .018454917000  -.004872933700
   .063066758000  -.016987282000
   .178373660000  -.051596905000
   .362068870000  -.122124100000
   .393970860000  -.195313920000
   .127883570000  -.060826660000
   .000265296790   .381938510000
   .003720783000   .580660250000
  -.001399726500   .189089950000
   .000665917870  -.000347081510
  -.000332513330   .001719612800
   .000096711832  -.000460534280
   11    1
  6.43642840
   433.2426900
   155.6093400
   59.12170700
   23.58578700
   9.526845900
   3.898160200
   1.637544400
   .7034248300
   .2468365700
   .9707972000E-01
   .3768704300E-01
   .001325169600
   .005238395600
   .024048459000
   .084186850000
   .226920910000
   .379865910000
   .361002700000
   .138353950000
   .009222911400
  -.000293271950
   .000257528840
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ga.ECP.Huzinaga.9s8p4d.1s1p2d.3e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*GA-SP(9/8/31)                 (81/71/31)
  3.000000         2

    9    1
   5367.430570
   811.3677670
   183.7230770
   18.64271540
   6.852349400
   3.792140270
   1.368422830
   .1829043610
   .6613904050E-01
  -.001476555960
  -.010164972100
  -.031635832000
   .135953639000
   .110786423000
  -.214869401000
  -.369813540000
   .682578132000
   .463086803000
    8    1
   427.9053080
   99.75182520
   30.46240750
   4.170494550
   1.667524780
   .2799830100
   .1060687750
   .3900144110E-01
   .002821570520
   .017621517200
   .042636920600
  -.101177621000
  -.107937245000
   .262815822000
   .541523661000
   .337412017000
    4    2
   12.59740000
   3.024310000
   .7476730000
   .2070000000
   .328088629000   .000000000000
   .598759454000   .000000000000
   .376038087000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: GA-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   604373.0100
   116902.6600
   28184.21700
   6958.448600
   1753.308100
   492.0137300
   138.2171200
   47.03963600
   10.17659500
   3.646514800
   1.134959100

   .054843553333
   .058395746667
   .117982286667
   .242728676667
   .486604933333
   .646611100000
   .994440966667
  1.772790433333
  1.794613866667
  2.654289233333
   .510032533333
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  757.635120      96.3351720      12.7872440
   13093818.00
   2275108.300
   559049.2000
   158325.9300
   45395.30000
   13992.68900
   4603.200500
   1628.986300
   625.0936000
   253.1227400
   106.7060500
   45.64096900
   19.94858500
   8.699390300
   3.808880500
   1.651484500
   .7173477100
   .2917761800
   .1227016200
   .4831754700E-01
   .000003134286  -.000000971767   .000000370191
   .000020530829  -.000006359209   .000002429832
   .000098796091  -.000030649030   .000011662164
   .000470375730  -.000145763340   .000055725934
   .002146593200  -.000667359730   .000254028910
   .008666536900  -.002704516100   .001034900700
   .031735877000  -.010076474000   .003844214600
   .097089978000  -.032083366000   .012373952000
   .234789250000  -.086026446000   .033359973000
   .394800260000  -.181438720000   .073260474000
   .316611330000  -.222054500000   .093552757000
   .062237467000   .090542578000  -.040503809000
   .000487678700   .656322400000  -.449522540000
   .000122830870   .400278760000  -.389864970000
   .000058202955   .011418709000   .510009370000
  -.000128632470   .012271729000   .691023350000
   .000072329984  -.005930204500   .144509460000
  -.000040126920   .003214290500  -.002100347600
   .000018712989  -.001477701300   .001351169800
  -.000004971547   .000392419260  -.000258453200
   14    2
  84.9862000      8.96268260
   4603.200500
   1628.986300
   625.0936000
   253.1227400
   106.7060500
   45.64096900
   19.94858500
   8.699390300
   3.808880500
   1.651484500
   .7173477100
   .2917761800
   .1227016200
   .4831754700E-01
   .000665077850  -.000252874560
   .002719771400  -.001031206400
   .013605321000  -.005231435100
   .051726253000  -.020165625000
   .163641090000  -.066542761000
   .358999330000  -.154209010000
   .421803150000  -.188714830000
   .166257870000   .092404350000
   .007180444900   .492916590000
   .003858383100   .444388510000
  -.001483550200   .117031750000
   .000871926460   .003973145500
  -.000411898330   .001018487800
   .000120672290  -.000108456210
    9    1
  2.38473740
   253.1227400
   106.7060500
   45.64096900
   19.94858500
   8.699390300
   3.808880500
   1.651484500
   .7173477100
   .2917761800
   .001413954200
   .006391079500
   .029553132000
   .100496660000
   .240795120000
   .352046630000
   .338178320000
   .208700010000
   .066498783000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/In.ECP.Barandiaran.11s10p7d.1s1p2d.13e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*IN-DSP(A1/A0/61)              (911/811/511)
 13.000000         2

   11    1
   13660.58510
   2069.791860
   471.6877390
   51.98476550
   26.87048570
   10.93846840
   6.566905840
   1.655570870
   .8277882420
   .1467542730
   .5516019780E-01
   .000859880232
   .005974516250
   .019137329900
  -.079568097900
  -.045704187000
   .078349924900
   .255938557000
  -.316748873000
  -.364069650000
   .702222041000
   .483310418000
   10    1
   1186.565700
   280.1032810
   88.52004640
   14.25809970
   8.033728040
   2.238149930
   1.007926830
   .2059004980
   .8439099130E-01
   .3306154980E-01
  -.001576728160
  -.010226763000
  -.025788397500
   .060297293800
   .053735493500
  -.144410156000
  -.148109364000
   .283659211000
   .548460790000
   .306269809000
    7    2
   164.3093580
   47.34794720
   16.41551780
   2.505256430
   .9795349310
   .3501995460
   .1600000000
  -.018853594400   .000000000000
  -.101243150000   .000000000000
  -.195757711000   .000000000000
   .428293731000   .000000000000
   .509756819000   .000000000000
   .225607862000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: IN-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   424501.0000
   71900.80000
   18235.30000
   5422.400000
   1812.680000
   618.6200000
   223.3780000
   99.83440000
   28.92360000
   15.61373000
   3.309710000
   1.567830000

   .028740099231
   .032181193846
   .057315771538
   .097550623077
   .140952984615
   .172049907692
   .332146530769
   .303641153846
   .517615215385
   .550427561538
   .403719415385
   .132890315385
M2
    0
COREREP
   1.0
PROJOP
    2
   21    4
  1995.59810      298.789470      59.2479240      9.95197650
   12952494.00
   2047619.700
   516732.8900
   145875.3700
   45088.18200
   14384.72500
   4961.254500
   1851.577800
   747.0587400
   322.0734200
   143.2616800
   65.47808700
   30.35690200
   14.15783600
   6.739370200
   3.098569800
   1.422444900
   .6425757500
   .2644576900
   .1287917800
   .5428124600E-01
   .000010839754  -.000003499837   .000001532450  -.000000656702
   .000071971018  -.000023250904   .000010179860  -.000004358045
   .000353907820  -.000114302090   .000050054520  -.000021459629
   .001554768200  -.000503234640   .000220378450  -.000094326272
   .006498509500  -.002110620500   .000925007650  -.000396675010
   .024994240000  -.008232438800   .003613930300  -.001547493800
   .080732303000  -.027547428000   .012157297000  -.005221926300
   .207789760000  -.077735780000   .034741028000  -.014921844000
   .368255490000  -.168713440000   .077749970000  -.033727225000
   .348401690000  -.234209680000   .114760280000  -.050062443000
   .107155790000  -.023874313000   .012756073000  -.006461109500
   .000911641330   .548072900000  -.408291350000   .197005150000
   .001955122600   .531142530000  -.598360880000   .309384120000
  -.001234325900   .073698995000   .332883310000  -.202385220000
   .000704242550   .007435861700   .878638930000  -.931989100000
  -.000429445890  -.004262420400   .171438690000   .043257116000
   .000260042700   .002594703200   .003689778100   .951101980000
  -.000141346170  -.001578838300   .000058673320   .332109760000
   .000078809176   .000890907630   .000809065860   .008074183400
  -.000040106827  -.000457699860  -.000481522830   .000184547440
   .000009460674   .000108786050   .000120627790   .000091185617
   17    3
  278.342110      50.7471140      7.01306110
   14384.72500
   4961.254500
   1851.577800
   747.0587400
   322.0734200
   143.2616800
   65.47808700
   30.35690200
   14.15783600
   6.739370200
   3.098569800
   1.422444900
   .6425757500
   .2644576900
   .1287917800
   .5428124600E-01
   .1748286000E-01
   .000492617580  -.000224640020   .000091552034
   .002206558400  -.001007541100   .000412852620
   .011480123000  -.005297210000   .002163681200
   .044114979000  -.020722425000   .008530309500
   .138651340000  -.067871925000   .028038512000
   .316835710000  -.165161550000   .069431242000
   .419921410000  -.231284150000   .097613458000
   .221472270000   .014515489000  -.021212615000
   .024204894000   .512939350000  -.306650490000
   .002420004200   .488968280000  -.315578120000
  -.001268723000   .087336529000   .337657500000
   .000692172990   .002043466200   .627004860000
  -.000444426570   .000498040430   .250472150000
   .000256494370   .000088213020   .017287405000
  -.000150300840  -.000078476078   .000851716560
   .000053187074   .000027754060   .000091664724
  -.000012090097  -.000007374077   .000040085289
   12    1
  35.1779190
   1851.577800
   747.0587400
   322.0734200
   143.2616800
   65.47808700
   30.35690200
   14.15783600
   6.739370200
   3.098569800
   1.422444900
   .6425757500
   .2644576900
   .000282591040
   .001472149400
   .008467170800
   .037277210000
   .125803460000
   .295389730000
   .415145360000
   .285348420000
   .066159500000
   .000980048710
   .000962859500
  -.000252308330
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Tl.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.13e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*TL-DSP(A3/A2/71/5)            (A111/9111/611/41)
 13.000000         3

   13    1
   130390.7010
   19371.13580
   4323.391900
   1194.248540
   151.4774960
   70.11116970
   31.56639320
   23.27241670
   5.616939950
   1.343739030
   .7276230930
   .1347425370
   .5112753790E-01
  -.000113919270
  -.000880712556
  -.004196104660
  -.011198771600
   .056865355100
   .027991141000
  -.110237036000
  -.101448742000
   .414496474000
  -.373843318000
  -.377844560000
   .721201624000
   .479250648000
   12    1
   3562.501290
   846.0686390
   272.2082250
   46.08720700
   19.92318700
   13.70438650
   6.517851480
   1.685391820
   .6443932180
   .3273302020
   .1028719110
   .3632458080E-01
   .000834524694
   .005635945260
   .015062560300
  -.047484886400
  -.047371453100
   .073856778700
   .107653903000
  -.193064652000
  -.201409847000
   .178764464000
   .589692431000
   .437733512000
    8    2
   631.3756290
   187.2451930
   69.26961700
   15.54158620
   8.982136580
   1.498334900
   .4821148540
   .1460000000
   .006943182920   .000000000000
   .042862490000   .000000000000
   .094320320600   .000000000000
  -.104405492000   .000000000000
  -.227399337000   .000000000000
   .613870982000   .000000000000
   .513255377000   .000000000000
   .000000000000  1.000000000000
    5    1
   99.70000000
   33.26000000
   13.06000000
   5.259000000
   1.964000000
   .064827554000
   .267550600000
   .465924430000
   .395027680000
   .123856940000
*
* Core AIMP: TL-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   4229690.000
   172143.0000
   50151.80000
   16543.80000
   6003.950000
   2266.040000
   853.4550000
   382.1500000
   137.2860000
   72.10040000
   15.18670000
   8.288580000
   2.687530000
   1.286670000

   .039917696923
   .038148174615
   .063893340000
   .104097353846
   .152441776923
   .191261215385
   .322478023077
   .446278623077
   .374718338462
   .969023692308
  1.314090307692
   .591709046154
   .498490261538
   .124221400000
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5703.09440      969.120350      234.300950      53.7668840      9.23755330
   215100.0000
   39070.00000
   10748.00000
   3633.000000
   1406.900000
   600.6000000
   210.6000000
   98.26000000
   38.04000000
   20.63000000
   8.704000000
   4.649000000
   1.897000000
   1.001600000
   .4647000000
   .005882548400   .002037195700   .000944045980   .000480325660   .000208558340
   .032994984000   .010905807000   .005314202500   .002623171700   .001140236700
   .119609050000   .043948516000   .020745292000   .010526897000   .004574398800
   .298056050000   .118975050000   .059510066000   .029665370000   .012916113000
   .419553340000   .242558460000   .122775150000   .063447765000   .027689935000
   .247779960000   .166658590000   .099489676000   .050761729000   .022308387000
   .028082998000  -.471548080000  -.399532760000  -.224800860000  -.100785100000
  -.007575225100  -.622565500000  -.702263380000  -.458469500000  -.212237630000
   .004637055100  -.113272470000   .509590950000   .543951220000   .281357330000
  -.003608745500   .029085394000   .792509950000  1.005262100000   .554959530000
   .002220212600  -.012273584000   .120564090000  -.600702730000  -.462489350000
  -.001462052900   .007411509600  -.018695799000  -.878647280000 -1.025928500000
   .000744527500  -.003511341700   .006601651500  -.093023100000   .417091130000
  -.000410437620   .001881599600  -.003368373100   .010880539000   .881690330000
   .000095437837  -.000433767900   .000695160140  -.002369484600   .198951450000
   12    4
  931.453440      216.393600      45.8353890      6.46273900
   7416.000000
   1923.000000
   677.3000000
   275.6000000
   122.6800000
   53.19000000
   25.67000000
   11.12900000
   5.366000000
   2.200000000
   1.014900000
   .4212000000
   .011130151000   .005523408200   .002810775700   .001144243500
   .069087878000   .036950641000   .018269684000   .007510394000
   .240609610000   .132692880000   .068387211000   .028051457000
   .443590970000   .279402420000   .143965260000   .059719024000
   .344658240000   .127290580000   .058162597000   .022539677000
   .067770208000  -.494117800000  -.412796640000  -.187465190000
  -.004956481300  -.555661070000  -.398426990000  -.176759140000
   .002396744800  -.101613730000   .538168610000   .359990160000
  -.001349963400   .007872035800   .638290000000   .443003470000
   .000622347600  -.003498405200   .086291154000  -.444055140000
  -.000297448120   .001639763400  -.006396135000  -.656441980000
   .000082378709  -.000406049890   .001706406800  -.158144230000
   10    2
  183.416980      31.3059180
   787.4000000
   252.1000000
   103.9700000
   48.16000000
   23.70400000
   12.29300000
   6.543000000
   3.901400000
   2.852500000
   1.446900000
   .024830415000   .013058093000
   .137338810000   .074180667000
   .348101180000   .191643290000
   .434883510000   .210682930000
   .223687980000  -.084290722000
   .036311726000  -.426913430000
   .005362937100  -.417168850000
  -.002658669700  -.118873570000
   .001697856300  -.078182226000
  -.000189776230  -.012494897000
    5    1
  11.5704730
   99.70000000
   33.26000000
   13.06000000
   5.259000000
   1.964000000
   .064827554000
   .267550600000
   .465924430000
   .395027680000
   .123856940000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         C.2.1.4. Group IVA Elements
********************************************************************************
*
/C.ECP.Huzinaga.5s5p1d.1s1p1d.4e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[He] val[2s,2p]     (41/311/1*)=2s3p1d recommended
*C-SP(5/5/1)                   (41/311/1)
  4.000000         2

    5    1
   168.5814120
   25.31861740
   5.425558470
   .4292487380
   .1381739110
  -.013482203600
  -.085275911400
  -.234339036000
   .627947866000
   .465616327000
    5    1
   19.10122860
   4.222055070
   1.223541080
   .3894962130
   .1225112420
   .013619641600
   .084810669800
   .286237854000
   .501444170000
   .348979676000
    1    1
   .6000000000
  1.000000000000
*
* Core AIMP: C-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   233033.6600
   22911.77500
   3674.780100
   709.9186500
   152.6487700
   36.73955300
   10.40523700

   .006064024250
   .010391557000
   .022866315750
   .049538790000
   .111067505000
   .198263790000
   .101808020000
M2
    0
COREREP
   1.0
PROJOP
    0
   14    1
  22.6509700
   84441.82600
   12759.35700
   2871.256200
   812.7082200
   267.5542000
   97.03604200
   37.28562600
   14.96924500
   6.248410900
   2.691779000
   1.119366600
   .4620985800
   .1894145800
   .7670330600E-01
   .000028825455
   .000224506640
   .001195795800
   .004968561900
   .017400959000
   .053815033000
   .142723350000
   .293944490000
   .392116220000
   .224356390000
   .023937518000
   .000668134490
   .000132567530
   .000079383046
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Si.ECP.Huzinaga.7s6p1d.1s1p1d.4e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*SI-SP(7/6/1)                  (61/411/1)
  4.000000         2

    7    1
   1019.388200
   154.0326720
   34.40348050
   3.256201440
   1.395393270
   .2346725700
   .8541768560E-01
   .003926155450
   .026113519600
   .075664801700
  -.214878533000
  -.287407059000
   .686551746000
   .469942081000
    6    1
   52.17188610
   11.68495760
   3.163027560
   .3196195460
   .1218882060
   .4832591900E-01
  -.014783589900
  -.075567568700
  -.145757556000
   .398060996000
   .521482334000
   .201606412000
    1    1
   .2620000000
  1.000000000000
*
* Core AIMP: SI-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   321661.0500
   43207.70400
   8274.901100
   1749.933500
   400.5786900
   99.57908100
   21.08164500
   6.788562600
   2.633394000

   .019932660750
   .027521627500
   .059055627500
   .127133505000
   .266990900000
   .380386825000
   .535311300000
   .845961450000
   .237706120000
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  137.624600      12.3127820
   631145.4400
   89021.17600
   18130.99600
   4751.498400
   1458.109500
   508.4582900
   187.4827200
   71.84210400
   29.11579900
   12.40834200
   5.501776900
   2.495735200
   1.120455600
   .3869880200
   .1530651600
   .5846127000E-01
   .000020233255  -.000005387144
   .000180543090  -.000048036206
   .001083673100  -.000288932080
   .005004610400  -.001336325800
   .018817651000  -.005082270200
   .060324053000  -.016661430000
   .169890290000  -.050122957000
   .350747640000  -.120459180000
   .390551390000  -.191879150000
   .146320610000  -.089848723000
   .007910332200   .265568560000
   .002206755900   .566537370000
  -.000336545280   .318964490000
   .000186398130   .014619352000
  -.000097392764  -.000432443900
   .000025334274   .000107811040
   11    1
  8.51164600
   508.4582900
   187.4827200
   71.84210400
   29.11579900
   12.40834200
   5.501776900
   2.495735200
   1.120455600
   .3869880200
   .1530651600
   .5846127000E-01
   .001355360500
   .005033847000
   .023662514000
   .079060858000
   .199051660000
   .332969550000
   .364537120000
   .197118140000
   .021527641000
  -.002633550300
   .001021561000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ge.ECP.Huzinaga.9s8p4d.1s1p2d.4e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*GE-SP(9/8/31)                 (711/611/31)
  4.000000         2

    9    1
   5719.405040
   865.7633760
   196.3322540
   20.02453180
   8.276082110
   3.690620300
   1.510093370
   .2315574330
   .8521710770E-01
  -.001651336610
  -.011356245900
  -.035401663500
   .151082837000
   .088086113600
  -.217222672000
  -.399557286000
   .708013535000
   .458506828000
    8    1
   457.7621940
   106.9752750
   32.80932780
   4.565032820
   1.868561660
   .3521711360
   .1410276130
   .5384001830E-01
   .003460598430
   .021597689700
   .052206362100
  -.123255365000
  -.132453694000
   .301195386000
   .546545935000
   .290453577000
    4    2
   14.78090000
   3.633070000
   .9385400000
   .2460000000
   .312889529000   .000000000000
   .599537247000   .000000000000
   .377203025000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: GE-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   668170.8800
   124788.5900
   28572.40300
   6629.554600
   1705.695400
   512.8671900
   144.5755000
   48.96620300
   10.87777400
   4.046275300
   1.323705900

   .041001972500
   .045281610000
   .095926730000
   .199869050000
   .364037325000
   .472747175000
   .782330525000
  1.324682950000
  1.346485525000
  1.994685600000
   .332951550000
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  810.487160      104.299070      14.3802640
   14013885.00
   2455207.300
   609347.2000
   175185.2700
   50728.15800
   15735.23000
   5186.660000
   1833.252300
   703.2769100
   285.2814000
   120.7652300
   51.95154200
   22.83162300
   10.06620000
   4.436173800
   1.941679100
   .8572067000
   .3542850500
   .1543294700
   .6262912100E-01
   .000003107516  -.000000966697   .000000372197
   .000020121204  -.000006254255   .000002413996
   .000095008634  -.000029571226   .000011374333
   .000444361790  -.000138185310   .000053362323
   .002011256400  -.000627283310   .000241365640
   .008080952400  -.002529756600   .000977726100
   .029708682000  -.009452351700   .003645203200
   .091577660000  -.030273229000   .011787290000
   .223935830000  -.081654152000   .031994317000
   .386298900000  -.174801340000   .071084297000
   .330531900000  -.225705780000   .095962302000
   .075863370000   .049222834000  -.021143519000
   .000045244559   .627647910000  -.420324000000
   .000821542160   .445977940000  -.440420570000
  -.000372151740   .024653224000   .435667560000
   .000131838490   .011905692000   .731922200000
  -.000078179115  -.005861262100   .177092600000
   .000038320548   .003313989200  -.001378409800
  -.000017126276  -.001573416900   .001633848700
   .000004472409   .000411141870  -.000259016820
   14    2
  92.4705480      10.3214640
   5186.660000
   1833.252300
   703.2769100
   285.2814000
   120.7652300
   51.95154200
   22.83162300
   10.06620000
   4.436173800
   1.941679100
   .8572067000
   .3542850500
   .1543294700
   .6262912100E-01
   .000608414030  -.000234997440
   .002499708200  -.000960999350
   .012543631000  -.004897971100
   .047827412000  -.018891722000
   .152621980000  -.062906154000
   .343404560000  -.149104890000
   .426748420000  -.195812910000
   .187897380000   .058074226000
   .011856146000   .475515610000
   .003820197900   .467723460000
  -.001471382900   .131791430000
   .000900951390   .005214298900
  -.000440727130   .000937172770
   .000127032720  -.000055868389
    9    1
  3.26811680
   285.2814000
   120.7652300
   51.95154200
   22.83162300
   10.06620000
   4.436173800
   1.941679100
   .8572067000
   .3542850500
   .001353026700
   .005992360300
   .028372264000
   .096620050000
   .236579700000
   .357228500000
   .343953220000
   .201257400000
   .055785848000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Sn.ECP.Barandiaran.11s10p7d.1s1p2d.14e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*SN-DSP(A1/A0/61)              (911/811/511)
 14.000000         2

   11    1
   14251.66670
   2157.052540
   491.2686710
   53.83620060
   25.62442710
   11.01737670
   6.281580210
   2.079627200
   1.010820150
   .1742831790
   .6724803860E-01
   .000950721856
   .006619262310
   .021227197400
  -.092215732400
  -.054036033600
   .140125112000
   .258078545000
  -.264459655000
  -.500599492000
   .750804038000
   .451573090000
   10    1
   1249.933750
   294.7847570
   93.08605350
   14.70116760
   8.084348490
   2.460887720
   1.126131510
   .2521206750
   .1089620130
   .4418716240E-01
  -.001863185530
  -.012162110700
  -.030961252500
   .078712818300
   .059961424400
  -.168473038000
  -.183866793000
   .319877204000
   .553205843000
   .266457930000
    7    2
   173.8757060
   50.20507990
   17.48006830
   2.721814600
   1.089347250
   .4028821330
   .1830000000
  -.019482274600   .000000000000
  -.105187373000   .000000000000
  -.204308680000   .000000000000
   .437905901000   .000000000000
   .508267689000   .000000000000
   .205341384000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: SN-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   384685.2900
   59448.30100
   14116.55500
   4012.979300
   1277.295200
   391.2579900
   148.0705300
   44.17809900
   19.64181500
   4.699694800
   2.484267500
   1.186271000

   .029332807143
   .035589942143
   .065184946429
   .111157042857
   .150490071429
   .229833992857
   .392642085714
   .289208921429
   .741001428571
   .220593500000
   .282557150000
   .023836690714
M2
    0
COREREP
   1.0
PROJOP
    2
   21    4
  2082.44440      313.954040      63.1968080      11.0237710
   15109812.00
   2383953.300
   596886.4600
   167514.6700
   51223.97900
   16346.76900
   5649.321000
   2120.252800
   860.5861300
   372.8794800
   166.8471000
   76.48567700
   35.58235000
   16.56504800
   7.846323700
   3.633418000
   1.679370500
   .7620680600
   .3120239700
   .1549582200
   .6775730000E-01
   .000009383532  -.000003034635   .000001334672  -.000000579925
   .000063102554  -.000020409684   .000008979240  -.000003895621
   .000311102380  -.000100657210   .000044267561  -.000019247568
   .001392415700  -.000451087600   .000198514840  -.000086097917
   .005851508400  -.001903106600   .000837543170  -.000364270880
   .022469722000  -.007396841900   .003262594900  -.001415486200
   .072689322000  -.024737413000   .010955615000  -.004772925700
   .188877400000  -.069818052000   .031310298000  -.013617851000
   .348320760000  -.155013440000   .071373355000  -.031399181000
   .364384810000  -.231427980000   .113010310000  -.049786596000
   .138084490000  -.081643309000   .043766206000  -.020894295000
   .003826262300   .471162760000  -.334119450000   .163040610000
   .002676643800   .591712870000  -.639055700000   .328838640000
  -.001785506500   .119829860000   .156770480000  -.083376691000
   .001099744200   .005155878100   .925503620000  -.935404110000
  -.000700485940  -.002263761000   .248327770000  -.156742220000
   .000427981350   .001496306000   .001378301100   .965409460000
  -.000233889940  -.001012442000   .003040595400   .417843660000
   .000133249570   .000589824090  -.000717257750   .010244049000
  -.000070668049  -.000317058110   .000290928140   .001676364200
   .000017003021   .000077400017  -.000066764567  -.000230498800
   17    3
  292.977160      54.4168940      7.93693220
   16346.76900
   5649.321000
   2120.252800
   860.5861300
   372.8794800
   166.8471000
   76.48567700
   35.58235000
   16.56504800
   7.846323700
   3.633418000
   1.679370500
   .7620680600
   .3120239700
   .1549582200
   .6775730000E-01
   .2130127800E-01
   .000424492530  -.000194637740   .000080926284
   .001889837500  -.000867656830   .000361169360
   .009772428000  -.004529720600   .001887227600
   .037675810000  -.017748852000   .007423585500
   .120435450000  -.058941621000   .024814094000
   .287493490000  -.149275380000   .063658573000
   .420222540000  -.233684700000   .101042060000
   .261843070000  -.048518663000   .009430428800
   .039361742000   .458587760000  -.274914970000
   .002119928300   .542333170000  -.368689480000
  -.000916349600   .120774800000   .255687320000
   .000508935510   .003038956000   .652050470000
  -.000358660110   .000913335560   .294260310000
   .000211022610  -.000092568436   .020975003000
  -.000129311120   .000019416870   .000980788060
   .000045990605  -.000007187843   .000023117413
  -.000009687792   .000000172150   .000064573831
   12    1
  38.3257700
   2120.252800
   860.5861300
   372.8794800
   166.8471000
   76.48567700
   35.58235000
   16.56504800
   7.846323700
   3.633418000
   1.679370500
   .7620680600
   .3120239700
   .000230621990
   .001210760400
   .006877421100
   .031091019000
   .108186530000
   .270548500000
   .414077750000
   .316346470000
   .083227144000
   .002626474300
   .000936950080
  -.000245874380
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Pb.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.14e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*PB-DSP(A3/A2/71/5)            (A111/9111/611/41)
 14.000000         3

   13    1
   129796.3550
   19457.56180
   4376.149700
   1216.705340
   157.9718240
   73.73437600
   34.10925430
   23.34288220
   5.709180440
   2.223863740
   .9847248010
   .1504395460
   .5884635200E-01
  -.000130625197
  -.000995330763
  -.004688261500
  -.012393364900
   .060214188600
   .037467443500
  -.121988080000
  -.117160572000
   .487455968000
  -.145903855000
  -.690186354000
   .802979874000
   .402993450000
   12    1
   3710.360020
   881.2360650
   282.4579850
   46.80351390
   20.86293550
   14.37916100
   7.042578000
   1.798496370
   .8421543810
   .2417540760
   .1042164570
   .4196415770E-01
   .000980195288
   .006668520140
   .018179702900
  -.058844864300
  -.048582729400
   .074278887900
   .136381323000
  -.216047851000
  -.185220045000
   .286262013000
   .579236872000
   .288734207000
    8    2
   648.2027130
   192.5412520
   71.41812350
   15.97937610
   9.276822500
   1.614796950
   .5405602170
   .1640000000
   .007314775350   .000000000000
   .045062072700   .000000000000
   .098978741400   .000000000000
  -.113619414000   .000000000000
  -.235233476000   .000000000000
   .623532866000   .000000000000
   .497553069000   .000000000000
   .000000000000  1.000000000000
    5    1
   99.00000000
   33.06000000
   13.03000000
   5.309000000
   2.024000000
   .070812319000
   .282982160000
   .471328330000
   .377301200000
   .109937750000
*
* Core AIMP: PB-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   4347790.000
   175570.0000
   51034.30000
   16810.80000
   6101.090000
   2304.880000
   871.3680000
   391.9430000
   142.0240000
   74.63390000
   15.69670000
   8.660130000
   2.835300000
   1.390490000

   .037233227643
   .035674494929
   .059817031500
   .097406160714
   .142267250000
   .178182325000
   .300242290000
   .413043361429
   .342021364286
   .905562207143
  1.237595250000
   .529488782143
   .464617510000
   .113991598571
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5850.73950      997.188310      242.476750      56.4398990      10.1110910
   347100.0000
   60900.00000
   16080.00000
   5170.000000
   1878.000000
   738.8000000
   223.3000000
   105.6000000
   42.14000000
   23.06000000
   9.850000000
   5.391000000
   2.449000000
   1.248000000
   .5645000000
   .003378031900   .001202962000   .000562413240   .000284867640   .000128478110
   .020402534000   .006566782100   .003178808100   .001584940900   .000685929860
   .081104617000   .029527375000   .014013786000   .007083653500   .003165631400
   .237365490000   .088918261000   .043743136000   .021986542000   .009597413900
   .426358800000   .221289350000   .111460580000   .057052161000   .025487249000
   .340498190000   .231181410000   .130055190000   .067493462000   .029633802000
   .051089172000  -.420692440000  -.348026020000  -.197526530000  -.088677417000
  -.020081725000  -.646533270000  -.733312900000  -.472830940000  -.224324110000
   .013918522000  -.134305640000   .359266610000   .374916040000   .203324930000
  -.011064732000   .030315205000   .884853450000  1.123278100000   .612372550000
   .007282475900  -.013294153000   .169081010000  -.355434920000  -.246685990000
  -.005203491700   .008537831900  -.026709393000 -1.012079000000 -1.159568800000
   .002585062900  -.003890784400   .009534945600  -.158770710000   .077839859000
  -.001200926700   .001737132700  -.003944226100   .005993709000  1.047618800000
   .000267228220  -.000382174150   .000754480470  -.001977907000   .305035870000
   12    4
  958.962730      224.252730      48.3248200      7.22138350
   7396.000000
   1916.000000
   677.3000000
   277.6000000
   124.2800000
   54.59000000
   26.47000000
   11.75900000
   5.686000000
   2.350000000
   1.097900000
   .4622000000
   .011664120000   .005828426800   .002957521900   .001226592700
   .072228907000   .038627076000   .019270293000   .008081545700
   .246028840000   .136572020000   .070489776000   .029470794000
   .443626360000   .279661210000   .145349150000   .061535260000
   .337425940000   .121683220000   .053754723000   .020929550000
   .065117933000  -.494998600000  -.412576360000  -.191132030000
  -.004142850200  -.551283480000  -.405939990000  -.184897710000
   .002024202900  -.103315760000   .518796880000   .355369660000
  -.001121396100   .006026325200   .656111910000   .470008480000
   .000513442230  -.002887026600   .093892769000  -.433570350000
  -.000244613910   .001373293500  -.006993090900  -.671286180000
   .000067601260  -.000332282750   .001833167700  -.156940520000
   10    2
  190.687870      33.4418170
   672.4000000
   208.1000000
   81.47000000
   35.56000000
   15.40400000
   6.933000000
   3.003000000
   1.341400000
   .5725000000
   .2259000000
   .036224088000   .019475479000
   .200125340000   .108541810000
   .455272680000   .253592390000
   .413221530000   .117628760000
   .103125620000  -.430103300000
  -.001080461800  -.558596010000
   .002444613600  -.153105360000
  -.001156969400  -.000071933246
   .000489832620  -.002437836700
  -.000145722430   .000669765380
    5    1
  13.1648560
   99.00000000
   33.06000000
   13.03000000
   5.309000000
   2.024000000
   .070812319000
   .282982160000
   .471328330000
   .377301200000
   .109937750000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         C.2.1.5. Group VA Elements
********************************************************************************
*
/N.ECP.Huzinaga.5s5p1d.1s1p1d.5e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[He] val[2s,2p]     (41/311/1*)=2s3p1d recommended
*N-SP(5/5/1)                   (41/311/1)
  5.000000         2

    5    1
   234.3456710
   35.37107520
   7.691677170
   .6167168450
   .1952502850
  -.013706373200
  -.087089590200
  -.239166439000
   .626808775000
   .468703637000
    5    1
   26.84680320
   6.000688350
   1.756872180
   .5594469590
   .1736628640
   .014502173800
   .090889500800
   .296986585000
   .498769838000
   .339212317000
    1    1
   .8640000000
  1.000000000000
*
* Core AIMP: N-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   249574.9500
   25950.23500
   4316.592600
   854.5203700
   188.1081400
   46.98577100
   13.84136300

   .005433674000
   .008965793200
   .019518872400
   .042079928000
   .093025226000
   .156529416000
   .074447090000
M2
    0
COREREP
   1.0
PROJOP
    0
   14    1
  31.2580340
   119657.5700
   17980.37100
   4150.400700
   1189.942200
   389.7017200
   139.0049000
   52.59830300
   20.96540500
   8.729416100
   3.747639400
   1.562298600
   .6451930800
   .2636266200
   .1055047000
   .000027858954
   .000214107800
   .001099096200
   .004559919800
   .016345838000
   .052136306000
   .141049410000
   .293494570000
   .394403760000
   .226054920000
   .024306391000
   .001246214400
   .000084751683
   .000118067000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/P.ECP.Huzinaga.7s6p1d.1s1p1d.5e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*P-SP(7/6/1)                   (61/411/1)
  5.000000         2

    7    1
   1182.655780
   178.7181250
   39.95986100
   3.762617560
   1.683276170
   .3115427610
   .1133855390
   .004252469160
   .028403699900
   .083068990100
  -.249285703000
  -.288240733000
   .691854961000
   .477622748000
    6    1
   63.65666070
   14.38185550
   3.982154970
   .4336464000
   .1691005480
   .6736731730E-01
  -.015722461700
  -.081979900000
  -.161699377000
   .411825456000
   .511817221000
   .195870195000
    1    1
   .3400000000
  1.000000000000
*
* Core AIMP: P-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   325164.0100
   42054.73200
   8085.045400
   1749.559300
   409.8599500
   104.5023100
   22.90720800
   7.704350800
   3.090531300

   .017335409600
   .024512684000
   .051323672000
   .109124226000
   .224766500000
   .301025580000
   .451452880000
   .661572260000
   .158886804000
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  159.939040      15.0218730
   863942.8800
   134721.0800
   27439.34800
   7356.738600
   2256.061400
   750.2678500
   268.9853700
   102.5138000
   40.78958800
   16.64209100
   6.893424800
   2.941992100
   1.294934400
   .5019701700
   .2010031300
   .7754988600E-01
   .000015275580  -.000004150246
   .000126575010  -.000034343930
   .000764529170  -.000207982800
   .003388094500  -.000921501290
   .013488302000  -.003705678600
   .047245985000  -.013198979000
   .137658610000  -.040697682000
   .308256150000  -.103004260000
   .419376520000  -.191300120000
   .208121390000  -.139900760000
   .010644807000   .257464270000
   .004889160600   .613187910000
  -.002215556300   .292466450000
   .001142309200   .010160943000
  -.000544478040   .001710196900
   .000148379430  -.000278482040
   11    1
  10.8015060
   750.2678500
   268.9853700
   102.5138000
   40.78958800
   16.64209100
   6.893424800
   2.941992100
   1.294934400
   .5019701700
   .2010031300
   .7754988600E-01
   .000933162700
   .003701046200
   .017899452000
   .065690932000
   .191962630000
   .362598920000
   .388031640000
   .170928690000
   .015030430000
  -.000407080360
   .000251916390
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/As.ECP.Huzinaga.9s8p4d.1s1p2d.5e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*AS-SP(9/8/31)                 (711/611/31)
  5.000000         2

    9    1
   6111.358260
   925.4707440
   209.9411770
   21.12645940
   7.661355050
   4.239152360
   1.697721220
   .2812833970
   .1050728980
  -.001789001950
  -.012312054400
  -.038562591900
   .172248839000
   .121628573000
  -.261215249000
  -.440475847000
   .724897758000
   .458208780000
    8    1
   494.1960310
   115.3047780
   35.35822610
   4.981115420
   2.093392000
   .4261214530
   .1765394220
   .6903644160E-01
   .003894191780
   .024538648000
   .059759315700
  -.139798773000
  -.150653767000
   .327993957000
   .546605762000
   .262790454000
    4    2
   17.01300000
   4.258220000
   1.137352000
   .2930000000
   .301498842000   .000000000000
   .600299191000   .000000000000
   .377507171000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: AS-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   484958.7800
   88634.84300
   22298.48400
   6024.822300
   1736.505400
   532.2452800
   146.8034000
   50.82762000
   4.487007900
   1.600827300
   11.42969400

   .040663774000
   .043527638000
   .082208106000
   .157130106000
   .283238280000
   .389477860000
   .656204420000
  1.041031160000
  1.542923180000
   .261623720000
  1.101971720000
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  864.171020      112.618400      16.0578670
   14942497.00
   2634067.300
   661602.6500
   192455.7600
   56280.00500
   17562.04200
   5801.453600
   2049.690100
   785.7249500
   319.0592700
   135.5295900
   58.62245400
   25.90213300
   11.52934400
   5.112610200
   2.258095400
   1.010398200
   .4222020200
   .1871439700
   .7754897200E-01
   .000003096386  -.000000966248   .000000376022
   .000019766976  -.000006164600   .000002403673
   .000091763954  -.000028648527   .000011139949
   .000422958870  -.000131968470   .000051477827
   .001896384600  -.000593215010   .000230748320
   .007589502700  -.002383126800   .000930332880
   .027961404000  -.008914266400   .003475159100
   .086761880000  -.028698663000   .011282150000
   .214502890000  -.077902733000   .030847055000
   .378095150000  -.168897830000   .069203363000
   .341726760000  -.227661890000   .097708506000
   .089097828000   .014551421000  -.004990954300
  -.000018399150   .596378720000  -.392289020000
   .001415115300   .485496540000  -.480023240000
  -.000750919350   .040405848000   .362975240000
   .000370715550   .010949302000   .763478560000
  -.000220966140  -.005338954600   .210399840000
   .000114850130   .003110779700  -.000136885580
  -.000052927828  -.001511049300   .001946782100
   .000013796480   .000392537100  -.000268978080
   14    2
  100.306070      11.7599910
   5801.453600
   2049.690100
   785.7249500
   319.0592700
   135.5295900
   58.62245400
   25.90213300
   11.52934400
   5.112610200
   2.258095400
   1.010398200
   .4222020200
   .1871439700
   .7754897200E-01
   .000561078640  -.000220036030
   .002314172500  -.000902477820
   .011656567000  -.004619896700
   .044595594000  -.017855366000
   .143252610000  -.059837451000
   .329067170000  -.144542270000
   .428954700000  -.200912010000
   .207816430000   .028152623000
   .017284832000   .457151670000
   .003636758700   .487682640000
  -.001348063600   .146160310000
   .000856808660   .006566282600
  -.000426988930   .000665296900
   .000123303410  -.000109230380
    9    1
  4.22397000
   319.0592700
   135.5295900
   58.62245400
   25.90213300
   11.52934400
   5.112610200
   2.258095400
   1.010398200
   .4222020200
   .001299404800
   .005651588100
   .027270776000
   .093019274000
   .232220720000
   .360677950000
   .348696460000
   .195887070000
   .049335670000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Sb.ECP.Barandiaran.11s10p7d.1s1p2d.15e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*SB-DSP(A1/A0/61)              (911/811/511)
 15.000000         2

   11    1
   14930.24130
   2263.014720
   515.7928620
   53.79876460
   16.69823940
   11.07367660
   4.210537850
   2.543291890
   1.071678280
   .2122515700
   .8300214660E-01
   .001019927040
   .007094637690
   .022906914300
  -.114681476000
  -.133678134000
   .365264637000
   .308165781000
  -.446577415000
  -.541306646000
   .757078223000
   .476036341000
   10    1
   1315.677300
   311.5113330
   98.51455610
   14.48560770
   6.051577690
   3.100904880
   1.330129850
   .2911757810
   .1314117200
   .5503774710E-01
  -.002067357410
  -.013489178400
  -.034910369600
   .112292878000
   .074538988500
  -.184613333000
  -.238610802000
   .355696742000
   .545200631000
   .238053186000
    7    2
   184.0003940
   53.21401160
   18.59317950
   2.942066530
   1.200152150
   .4545542670
   .2110000000
  -.019973376500   .000000000000
  -.108560999000   .000000000000
  -.212155877000   .000000000000
   .447539309000   .000000000000
   .506313045000   .000000000000
   .188010112000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: SB-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   442356.0000
   77888.30000
   20292.30000
   6139.680000
   2078.780000
   723.1010000
   260.1730000
   116.4845000
   33.70680000
   18.29410000
   3.830340000
   1.897030000

   .025350866000
   .027443747333
   .048486014000
   .082189420000
   .119668693333
   .144746006667
   .274349486667
   .280374046667
   .405592493333
   .522311226667
   .352152920000
   .117335080000
M2
    0
COREREP
   1.0
PROJOP
    2
   21    4
  2171.17640      329.515380      67.2717580      12.1254820
   14513511.00
   2489897.200
   648643.3400
   186111.9400
   56842.91900
   18164.65700
   6250.254500
   2350.233100
   956.0430500
   414.9962100
   186.6591500
   85.89381400
   40.07894600
   18.68311500
   8.861697500
   4.107205800
   1.924315400
   .8849081500
   .3689578100
   .1870062000
   .8294741100E-01
   .000009954777  -.000003224395   .000001424309  -.000000627158
   .000060782633  -.000019682795   .000008698368  -.000003822665
   .000285880790  -.000092653390   .000040922653  -.000018034510
   .001282082400  -.000415765960   .000183792370  -.000080744948
   .005388851100  -.001755054700   .000775680050  -.000341915150
   .020821608000  -.006854264200   .003036458200  -.001334433400
   .067872546000  -.023071905000   .010257848000  -.004529190400
   .177190530000  -.065044595000   .029272373000  -.012892310000
   .335486130000  -.146827950000   .067705851000  -.030184334000
   .371605510000  -.227888210000   .111190130000  -.049541667000
   .158667850000  -.112758990000   .060230900000  -.028794469000
   .007551335000   .414442010000  -.286152540000   .141412850000
   .002727593400   .622266550000  -.649700860000   .335454110000
  -.001870472900   .157687750000   .033593295000  -.004186431800
   .001185837400   .003931737900   .936176780000  -.920197150000
  -.000783015730  -.000486720680   .315489390000  -.303970990000
   .000494510220   .000479639640  -.002707774500   .958949430000
  -.000275474460  -.000488144870   .007303967500   .485117880000
   .000159670770   .000297512240  -.003065646200   .017817166000
  -.000084893223  -.000161958270   .001521324200   .001191092100
   .000020004958   .000039605706  -.000362501090  -.000032369565
   17    3
  308.006820      58.2115700      8.88861100
   18164.65700
   6250.254500
   2350.233100
   956.0430500
   414.9962100
   186.6591500
   85.89381400
   40.07894600
   18.68311500
   8.861697500
   4.107205800
   1.924315400
   .8849081500
   .3689578100
   .1870062000
   .8294741100E-01
   .3296289400E-01
   .000380613900  -.000175476950   .000074311997
   .001708801900  -.000788595820   .000333578370
   .008788753600  -.004093864600   .001737136100
   .034105938000  -.016127018000   .006855346800
   .109976300000  -.053939202000   .023115947000
   .268239780000  -.139220730000   .060294974000
   .415689160000  -.232232260000   .102397230000
   .287592750000  -.085507612000   .028094156000
   .052218883000   .414185210000  -.251741690000
   .001990960700   .572123410000  -.398377800000
  -.000569685950   .150576720000   .193644830000
   .000327503180   .002424405000   .661653890000
  -.000277015290   .002262338800   .327490320000
   .000168426220  -.000876184930   .026094322000
  -.000108147660   .000510514970   .000593416950
   .000042591485  -.000196219880  -.000086201419
  -.000010970481   .000049739672   .000049781650
   12    1
  41.5956720
   2350.233100
   956.0430500
   414.9962100
   186.6591500
   85.89381400
   40.07894600
   18.68311500
   8.861697500
   4.107205800
   1.924315400
   .8849081500
   .3689578100
   .000202208320
   .001076444900
   .006047604900
   .027668542000
   .097865944000
   .254522030000
   .409152960000
   .335429270000
   .097175273000
   .003187344200
   .001321607300
  -.000362859940
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Bi.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.15e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*BI-DSP(A3/A2/71/5)            (A111/9111/611/41)
 15.000000         3

   13    1
   131450.0710
   19747.20080
   4453.501110
   1242.554810
   160.7312210
   75.40388460
   31.15695220
   24.68212930
   5.346303680
   4.167987170
   1.110809340
   .1716764020
   .6851134800E-01
  -.000142781901
  -.001085076230
  -.005091519350
  -.013380955600
   .067290453200
   .033375278500
  -.182673727000
  -.065235678200
   .845017735000
  -.408962904000
  -.810382397000
   .842342253000
   .378983765000
   12    1
   3816.423190
   905.7693170
   290.4551600
   47.54202320
   19.51183500
   13.53712950
   6.889562170
   2.031900510
   1.023805560
   .2437828220
   .1092848570
   .4702508230E-01
   .001108368600
   .007554937570
   .020639306800
  -.070018595700
  -.056176310900
   .107290304000
   .141681041000
  -.211880197000
  -.231755399000
   .401448308000
   .545122179000
   .199479383000
    8    2
   668.4076340
   198.6650600
   73.77200890
   16.39223910
   9.587667670
   1.730686570
   .5980720490
   .1850000000
   .007594375780   .000000000000
   .046898570900   .000000000000
   .103394395000   .000000000000
  -.122684486000   .000000000000
  -.241443848000   .000000000000
   .633587495000   .000000000000
   .482898689000   .000000000000
   .000000000000  1.000000000000
    5    1
   104.4100000
   34.97000000
   13.85000000
   5.687000000
   2.195000000
   .068833170000
   .278819190000
   .470297110000
   .379473850000
   .110393620000
*
* Core AIMP: BI-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   4347280.000
   184460.0000
   54239.30000
   18016.60000
   6566.380000
   2491.220000
   938.1720000
   417.2280000
   153.5780000
   77.89010000
   16.31210000
   9.201730000
   3.010090000
   1.508910000

   .034538002667
   .032639012000
   .054426541333
   .088523560000
   .130454080000
   .164191313333
   .271160060000
   .394135326667
   .303858160000
   .870467066667
  1.152226400000
   .492283706667
   .436232893333
   .108197213333
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  6000.30550      1025.68350      250.809920      59.1750000      10.9955700
   249000.0000
   44720.00000
   12320.00000
   4126.000000
   1575.000000
   660.3000000
   225.7000000
   105.5000000
   40.98000000
   22.39000000
   9.469000000
   5.152000000
   2.207000000
   1.175000000
   .5503000000
   .005273941800   .001833706300   .000853735650   .000436430930   .000195754430
   .029696446000   .009784720600   .004772329100   .002376160800   .001059990100
   .108941530000   .039911147000   .018905719000   .009642119800   .004323180900
   .283278680000   .111474740000   .055644099000   .027976104000   .012508549000
   .423590540000   .238060980000   .120715360000   .062581194000   .028173295000
   .269714060000   .185127340000   .108780700000   .056259457000   .025338326000
   .032635911000  -.452102470000  -.380673050000  -.216019390000  -.099494905000
  -.009316953300  -.635394780000  -.718746210000  -.470586250000  -.224902020000
   .005891658500  -.122347690000   .464524490000   .499965130000   .268365390000
  -.004656494000   .031725130000   .821671900000  1.050635400000   .597033600000
   .002985493700  -.013927214000   .135395870000  -.540936660000  -.426789760000
  -.002070230900   .008826322500  -.022662224000  -.917279610000 -1.110838200000
   .001069215200  -.004237063900   .008044719600  -.110022850000   .341222600000
  -.000565637070   .002174052900  -.003899874400   .009493915100   .962731170000
   .000128013210  -.000486714290   .000782911410  -.002049694200   .211517530000
   12    4
  986.898040      232.268230      50.8753460      7.98942770
   6793.000000
   1754.000000
   619.3000000
   254.2000000
   114.6800000
   51.87000000
   25.42000000
   11.45900000
   5.626000000
   2.385000000
   1.129900000
   .4886000000
   .014068346000   .007087567600   .003618853200   .001522525200
   .085848154000   .046061417000   .023068965000   .009889312600
   .279403230000   .157485250000   .081999507000   .034856923000
   .457405380000   .290407500000   .151325810000   .065603334000
   .292808650000   .060365485000   .016254610000   .003780569300
   .044808548000  -.546792460000  -.463204370000  -.218230350000
  -.001795829100  -.497975910000  -.336449180000  -.154343020000
   .000727939300  -.082311514000   .577933360000   .409459710000
  -.000431379110   .004873825500   .604507000000   .435700620000
   .000189367620  -.002235917600   .080242131000  -.483319070000
  -.000084132408   .001078124800  -.005269473200  -.648967070000
   .000023853150  -.000256417820   .001410144000  -.137892280000
   10    2
  198.112760      35.6363460
   1132.600000
   365.1000000
   150.5900000
   69.74000000
   34.67400000
   17.66800000
   4.651000000
   9.054400000
   2.275300000
   .8550000000
   .013200152000   .006982433800
   .081773908000   .044429938000
   .252902420000   .140416300000
   .417288900000   .226985130000
   .331319520000   .083908241000
   .102830570000  -.308397560000
   .000661997730  -.280517570000
   .008894804800  -.507178080000
  -.000044465463  -.046029140000
   .000012534462  -.000782844480
    5    1
  14.8173890
   104.4100000
   34.97000000
   13.85000000
   5.687000000
   2.195000000
   .068833170000
   .278819190000
   .470297110000
   .379473850000
   .110393620000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         C.2.1.6. Group VIA Elements (Calcogens)
********************************************************************************
*
/O.ECP.Huzinaga.5s6p1d.1s2p1d.6e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[He] val[2s,2p]     (41/3111a/1*)=2s4p1d recommended
*
* - p diffuse functions for anion from
*   (5) T.H.Dunning, Jr., and P.J.Hay, in "Modern Theoretical Chemistry",
*        ed. by H.F.Schaefer III (Plenum, New York, 1977) p. 1.
*
*O-SP(5/51/1)                  (41/3111/1)
  6.000000         2

    5    1
   314.6866670
   47.48616100
   10.38908770
   .8401256680
   .2631531410
  -.013753217100
  -.088347226200
  -.244489827000
   .630868935000
   .466049770000
    6    2
   34.78340920
   7.822843080
   2.300984860
   .7218453270
   .2154796130
   .5900000000E-01
   .015717655500   .000000000000
   .098705315200   .000000000000
   .308675595000   .000000000000
   .491476369000   .000000000000
   .338684521000   .000000000000
   .000000000000  1.000000000000
    1    1
   1.154000000
  1.000000000000
*
* Core AIMP: O-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   265207.5400
   28994.95000
   4987.814600
   1010.703800
   227.6118000
   58.64969800
   17.77421000

   .004986032500
   .007946717000
   .017125491667
   .036712301667
   .080006373333
   .128644991667
   .057911426667
M2
    0
COREREP
   1.0
PROJOP
    0
   14    1
  41.3372100
   164589.3000
   24444.59200
   5588.483600
   1591.345300
   514.8330700
   180.1170900
   66.90423000
   26.22395300
   10.77197300
   4.554563900
   1.892396200
   .7784411100
   .3152607500
   .1233988400
   .000026373491
   .000206149610
   .001070141500
   .004481441700
   .016477604000
   .053990529000
   .148795090000
   .310295760000
   .400011190000
   .201952070000
   .015160616000
   .002457504900
  -.000389180500
   .000240967780
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/S.ECP.Huzinaga.7s6p1d.1s1p1d.6e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*S-SP(7/6/1)                   (61/411/1)
  6.000000         2

    7    1
   1358.566230
   205.2866940
   45.94783050
   4.271372830
   1.934649490
   .4030270680
   .1458029560
   .004527643910
   .030359306400
   .089508179600
  -.291467365000
  -.280241163000
   .694747486000
   .490363159000
    6    1
   77.32553610
   17.55914210
   4.940728150
   .5609816190
   .2137362470
   .8211480100E-01
  -.016004608400
  -.085601390000
  -.174097127000
   .419760954000
   .505873517000
   .201743207000
    1    1
   .4210000000
  1.000000000000
*
* Core AIMP: S-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   324985.0100
   42169.63500
   8071.833100
   1736.854700
   412.5610000
   108.4285100
   24.54059000
   8.538505000
   3.601487500

   .015559888000
   .021970321667
   .046463150000
   .098923923333
   .196282866667
   .246344416667
   .403235716667
   .527170316667
   .110716063333
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  184.008450      18.0082450
   855633.8400
   129252.1900
   29011.89200
   8192.538400
   2610.519500
   877.8711600
   309.9074100
   116.3039900
   46.20102400
   19.06533000
   8.036938500
   3.483036100
   1.544901700
   .6034213700
   .2377627200
   .8986185100E-01
   .000019100262  -.000005278115
   .000149383380  -.000041241787
   .000796516680  -.000220405810
   .003362917900  -.000930812420
   .012900000000  -.003603818900
   .046061860000  -.013090757000
   .138861250000  -.041730668000
   .312660130000  -.106718690000
   .417106620000  -.194564230000
   .205041100000  -.140413680000
   .012274160000   .253801600000
   .004158279200   .617183380000
  -.001775416400   .293341980000
   .000876216870   .010319550000
  -.000413973920   .002058961600
   .000109817480  -.000289267740
   11    1
  13.3645770
   877.8711600
   309.9074100
   116.3039900
   46.20102400
   19.06533000
   8.036938500
   3.483036100
   1.544901700
   .6034213700
   .2377627200
   .8986185100E-01
   .000922370590
   .003853336800
   .018841648000
   .068527869000
   .194815990000
   .363108510000
   .385771100000
   .162988450000
   .013224922000
   .000243683860
   .000347169270
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Se.ECP.Huzinaga.9s8p4d.1s1p2d.6e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*SE-SP(9/8/31)                 (711/611/31)
  6.000000         2

    9    1
   6463.606260
   978.6583180
   222.1582480
   22.99556030
   8.875856860
   5.047763940
   1.994274790
   .3245117190
   .1221345440
  -.001935548770
  -.013327163800
  -.041639116500
   .177640132000
   .143427097000
  -.242432882000
  -.504864013000
   .763669007000
   .427445457000
    8    1
   527.3839900
   123.1923970
   37.88485900
   5.454915380
   2.391236550
   .4925334130
   .2000036110
   .7705435560E-01
   .004300342110
   .027138570500
   .066101982800
  -.150265649000
  -.164549716000
   .366835561000
   .536913511000
   .240895856000
    4    2
   19.32550000
   4.907600000
   1.346474000
   .3380000000
   .292367915000   .000000000000
   .601098312000   .000000000000
   .377396606000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: SE-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   457507.7500
   80031.95000
   20352.32600
   5740.550300
   1698.763300
   528.7169500
   149.0532300
   52.90547600
   12.13797000
   4.982635700
   1.880306700

   .036667651667
   .040184096667
   .072557028333
   .135603090000
   .242812683333
   .325078016667
   .562656100000
   .851665633333
   .924238516667
  1.259762433333
   .215441400000
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  921.733600      121.336680      17.8629280
   16735778.00
   2942678.600
   735854.6500
   212547.6300
   61724.30600
   19133.88600
   6287.447800
   2220.329500
   849.6996900
   345.3308400
   147.2028900
   63.76503900
   28.19858800
   12.66448100
   5.601430100
   2.484718100
   1.119753700
   .4763362300
   .2075463500
   .8505757600E-01
   .000002896902  -.000000906894   .000000356651
   .000018611927  -.000005820285   .000002292123
   .000086887453  -.000027217835   .000010697961
   .000405664310  -.000126907580   .000049993375
   .001829296200  -.000574117700   .000225726970
   .007404550700  -.002330892000   .000918935070
   .027323554000  -.008737311800   .003442948600
   .084958323000  -.028145533000   .011172307000
   .211345000000  -.076860589000   .030767466000
   .374093140000  -.166521200000   .068840493000
   .345415730000  -.228746260000   .099319320000
   .095224588000   .002876886600   .000066815698
  -.000336397400   .583720930000  -.384601330000
   .001872824100   .497025360000  -.494580910000
  -.001047884600   .050512788000   .341065070000
   .000566802800   .008404409300   .781838040000
  -.000339879140  -.003966139800   .209656550000
   .000175848840   .002326375900   .001912164900
  -.000077939453  -.001108713500   .001206403800
   .000020305755   .000285592560  -.000007389182
   14    2
  108.536550      13.3217370
   6287.447800
   2220.329500
   849.6996900
   345.3308400
   147.2028900
   63.76503900
   28.19858800
   12.66448100
   5.601430100
   2.484718100
   1.119753700
   .4763362300
   .2075463500
   .8505757600E-01
   .000544372480  -.000216686560
   .002255059300  -.000891167120
   .011393790000  -.004583480800
   .043508631000  -.017655222000
   .139780470000  -.059243036000
   .325399080000  -.144847400000
   .428708020000  -.204466050000
   .213096980000   .020649002000
   .020920293000   .457882690000
   .002590041600   .493789950000
  -.000792650220   .141710380000
   .000536334530   .006684329000
  -.000265843570   .000754959080
   .000073674230   .000127886190
    9    1
  5.29798040
   345.3308400
   147.2028900
   63.76503900
   28.19858800
   12.66448100
   5.601430100
   2.484718100
   1.119753700
   .4763362300
   .001332804200
   .005597356600
   .027946896000
   .093664687000
   .236026180000
   .370265710000
   .348315340000
   .180894760000
   .039289546000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Te.ECP.Barandiaran.11s10p7d.1s1p2d.16e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*TE-DSP(A1/A0/61)              (911/811/511)
 16.000000         2

   11    1
   15536.51150
   2352.937440
   535.9409330
   56.45457760
   17.43288630
   12.45503430
   4.608731990
   2.989902440
   1.220112950
   .2429199380
   .9599157930E-01
   .001092756300
   .007614601620
   .024605823500
  -.121621378000
  -.192085106000
   .414689804000
   .411039813000
  -.483681017000
  -.622929318000
   .790880079000
   .458149336000
   10    1
   1384.785590
   327.0551370
   103.1786190
   15.18855110
   5.890574640
   3.671560500
   1.531487610
   .3278727230
   .1447397020
   .6004863170E-01
  -.002243432450
  -.014775464600
  -.038575201500
   .125444837000
   .113752930000
  -.213180703000
  -.276544434000
   .400560211000
   .530290744000
   .215419259000
    7    2
   194.2471990
   56.27954240
   19.73615000
   3.167810250
   1.313239260
   .5071648930
   .2370000000
  -.020425825000   .000000000000
  -.111619615000   .000000000000
  -.219291673000   .000000000000
   .457008814000   .000000000000
   .503636732000   .000000000000
   .173151290000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: TE-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   438081.0000
   75146.50000
   19315.30000
   5826.960000
   1975.490000
   682.0860000
   250.7250000
   113.9853000
   33.75760000
   18.91573000
   4.028620000
   2.022310000

   .024568224375
   .027237210000
   .048038793125
   .080992700000
   .115082637500
   .141265443750
   .271215006250
   .241722893750
   .409980275000
   .450973487500
   .337625350000
   .101297981250
M2
    0
COREREP
   1.0
PROJOP
    2
   21    4
  2261.83220      345.510080      71.5090100      13.2931820
   15585405.00
   2681902.900
   700814.6600
   202109.7700
   61920.18600
   19827.36300
   6826.000200
   2567.879300
   1045.291900
   454.1140100
   204.8965800
   94.60953400
   44.31818000
   20.72377100
   9.848534000
   4.601952700
   2.165891900
   1.001813700
   .4210147500
   .2139934200
   .9630550000E-01
   .000009544742  -.000003096020   .000001373336  -.000000612382
   .000058102735  -.000018838880   .000008361090  -.000003720706
   .000271340300  -.000088071917   .000039060499  -.000017432998
   .001210668500  -.000393067940   .000174505080  -.000077627958
   .005074614200  -.001654821400   .000734391530  -.000327834680
   .019609408000  -.006458209700   .002873045000  -.001278471000
   .064138323000  -.021787544000   .009724029000  -.004347976900
   .168736000000  -.061652864000   .027845610000  -.012416328000
   .325497910000  -.140752740000   .065043445000  -.029359078000
   .375849600000  -.224762440000   .109723980000  -.049473531000
   .174497560000  -.132958070000   .070807698000  -.034022725000
   .011286129000   .369485870000  -.250615100000   .125347780000
   .002640073500   .638390930000  -.649449880000   .337693860000
  -.001839080600   .191160410000  -.061115977000   .055059431000
   .001190749200   .003458284000   .928793770000  -.896405160000
  -.000802488980   .001192754100   .373875970000  -.422108960000
   .000509078340  -.000567849290  -.001829737400   .945093850000
  -.000284870930   .000086480939   .009622515200   .542502200000
   .000165395460  -.000037401906  -.004417279000   .021006238000
  -.000088069119   .000017538513   .002235816200   .002382890400
   .000020938631  -.000002513500  -.000545358530  -.000226838550
   17    3
  323.467820      62.1672740      9.90434400
   19827.36300
   6826.000200
   2567.879300
   1045.291900
   454.1140100
   204.8965800
   94.60953400
   44.31818000
   20.72377100
   9.848534000
   4.601952700
   2.165891900
   1.001813700
   .4210147500
   .2139934200
   .9630550000E-01
   .3890448700E-01
   .000350448740  -.000162362530   .000069948389
   .001574232200  -.000730478500   .000313583750
   .008104700400  -.003792164400   .001636903500
   .031611991000  -.015012966000   .006477994500
   .102707670000  -.050503494000   .022008877000
   .254347800000  -.132208890000   .058096121000
   .409742180000  -.229563650000   .103040510000
   .305755960000  -.111417260000   .041549319000
   .063996456000   .376736050000  -.232385200000
   .001946061500   .590397710000  -.420019840000
  -.000174109300   .176553690000   .141729060000
   .000086588976   .003883874300   .670975350000
  -.000149188490   .002751742000   .353032840000
   .000088067255  -.001181995100   .028895321000
  -.000057702124   .000699854430   .001153581300
   .000023662237  -.000283484880   .000153479210
  -.000005989570   .000069808320   .000129850420
   12    1
  45.0241000
   2567.879300
   1045.291900
   454.1140100
   204.8965800
   94.60953400
   44.31818000
   20.72377100
   9.848534000
   4.601952700
   2.165891900
   1.001813700
   .4210147500
   .000183450060
   .000985064450
   .005512311200
   .025404937000
   .090777869000
   .241929270000
   .403790900000
   .348694790000
   .108556860000
   .004829961800
   .001260844700
  -.000354845860
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Po.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.16e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*PO-DSP(A3/A2/71/5)            (A111/9111/611/41)
 16.000000         3

   13    1
   132306.5320
   19920.27460
   4509.651230
   1266.524540
   164.5861970
   78.45792810
   28.68999140
   25.68710720
   5.179477740
   4.710218630
   1.187527860
   .1979852650
   .7969211700E-01
   .000156075252
   .001180740960
   .005501292570
   .014286056200
  -.072865111300
  -.031402649400
   .389140619000
  -.131216156000
 -1.901101150000
  1.432034370000
   .874385685000
  -.866353942000
  -.379092226000
   12    1
   3919.537970
   930.5856640
   298.4034890
   48.69214590
   18.70255120
   13.30272540
   6.552203960
   2.362055720
   1.199728760
   .2683419420
   .1170211950
   .4982739860E-01
   .001219361760
   .008320440400
   .022794751400
  -.078695848500
  -.072376204800
   .151698174000
   .146222656000
  -.198747238000
  -.289089719000
   .455430956000
   .525942955000
   .170783458000
    8    2
   689.3593410
   204.9712210
   76.18297380
   16.80241300
   9.900891280
   1.849133560
   .6565687600
   .2040000000
   .007843555730   .000000000000
   .048584261700   .000000000000
   .107555167000   .000000000000
  -.132026498000   .000000000000
  -.246394189000   .000000000000
   .642883286000   .000000000000
   .470011627000   .000000000000
   .000000000000  1.000000000000
    5    1
   104.6100000
   34.97000000
   13.85000000
   5.737000000
   2.255000000
   .073798631000
   .293207710000
   .476153830000
   .362484900000
   .097956742000
*
* Core AIMP: PO-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   4440930.000
   188403.0000
   55329.90000
   18366.50000
   6696.170000
   2542.920000
   960.3630000
   428.5410000
   159.0740000
   80.54510000
   16.83300000
   9.590580000
   3.162900000
   1.611470000

   .032497405625
   .030754145000
   .051313013750
   .083412018750
   .122718381250
   .154278831250
   .254381418750
   .368918481250
   .280151468750
   .821160125000
  1.096982187500
   .442203068750
   .412408243750
   .098821187500
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  6151.82690      1054.63980      259.333770      62.0051920      11.9241990
   213900.0000
   38970.00000
   10810.00000
   3683.000000
   1439.000000
   621.6000000
   227.1000000
   106.3000000
   41.56000000
   22.62000000
   9.619000000
   5.230000000
   2.200000000
   1.181000000
   .5566000000
   .006496712900   .002239352500   .001045169000   .000536290610   .000242269110
   .035927283000   .011978865000   .005847884400   .002921251600   .001328420200
   .127892740000   .047118653000   .022383654000   .011468880000   .005189839900
   .309586800000   .125858930000   .063273900000   .031912925000   .014533666000
   .416730650000   .246169550000   .125707950000   .065727895000   .029876136000
   .229665880000   .154137730000   .093534529000   .048211056000   .022257550000
   .024372758000  -.473157230000  -.403556280000  -.229941380000  -.108011820000
  -.005832547700  -.621046270000  -.705574400000  -.466889050000  -.225677410000
   .003508331100  -.114958940000   .500609340000   .544136010000   .294196680000
  -.002752784000   .029473699000   .800175920000  1.029829900000   .601574720000
   .001754025300  -.012913692000   .126664690000  -.589541340000  -.488091370000
  -.001190912600   .008053080100  -.020731511000  -.892626200000 -1.106551300000
   .000613919590  -.003866179600   .007251286800  -.100214160000   .446955000000
  -.000334195370   .002041564100  -.003662592600   .010360033000   .928740260000
   .000076018901  -.000459195200   .000748772650  -.002015374200   .168907500000
   12    4
  1054.63980      240.473370      53.5199150      8.80029150
   6517.000000
   1690.000000
   598.6000000
   246.8000000
   111.6800000
   51.37000000
   25.32000000
   11.52900000
   5.700000000
   2.432000000
   1.154900000
   .4951000000
   .015646319000   .007927824900   .004062992600   .001735063600
   .093942417000   .050530434000   .025432272000   .011115341000
   .295996010000   .168425890000   .088220857000   .038106102000
   .460329790000   .292650410000   .153022410000   .067742344000
   .271300310000   .028540071000  -.004191513200  -.006141631500
   .036104667000  -.566710880000  -.485075430000  -.232246180000
  -.000559853620  -.472106900000  -.302645610000  -.140653600000
   .000069135818  -.073675553000   .603927450000   .441815150000
  -.000071176232   .004193128900   .581409130000   .420407760000
   .000017893507  -.001858350000   .073317933000  -.528524070000
   .000000204584   .000903386190  -.004689810600  -.634230540000
   .000000803627  -.000210516530   .001178852400  -.113140840000
   10    2
  205.725110      37.9227630
   1143.600000
   366.1000000
   150.8900000
   69.94000000
   34.77400000
   17.65800000
   4.651000000
   9.054400000
   2.267300000
   .8160000000
   .013778321000   .007329395200
   .085568538000   .046842189000
   .260648340000   .145651830000
   .421024270000   .229802160000
   .323837380000   .070899809000
   .095598684000  -.329617570000
   .000683999190  -.261219290000
   .007315544900  -.507249870000
  -.000082773137  -.038380267000
   .000018173106  -.000396110580
    5    1
  16.5613710
   104.6100000
   34.97000000
   13.85000000
   5.737000000
   2.255000000
   .073798631000
   .293207710000
   .476153830000
   .362484900000
   .097956742000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         C.2.1.7. Group VIIA Elements (Halogens)
********************************************************************************
*
/F.ECP.Huzinaga.5s6p1d.1s2p1d.7e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[He] val[2s,2p]     (41/3111a/1*)=2s4p1d recommended
*
* - p diffuse functions for anion from
*   (5) T.H.Dunning, Jr., and P.J.Hay, in "Modern Theoretical Chemistry",
*        ed. by H.F.Schaefer III (Plenum, New York, 1977) p. 1.
*
*F-SP(5/51/1)                  (41/3111/1)
  7.000000         2

    5    1
   405.4771610
   61.23686380
   13.47117730
   1.095173720
   .3400847530
  -.013805187800
  -.089245064800
  -.247937861000
   .632895340000
   .465026336000
    6    2
   44.13600920
   9.982597110
   2.947082680
   .9185111850
   .2685213550
   .7400000000E-01
   .016534816500   .000000000000
   .103846532000   .000000000000
   .316092821000   .000000000000
   .487635754000   .000000000000
   .336022563000   .000000000000
   .000000000000  1.000000000000
    1    1
   1.496000000
  1.000000000000
*
* Core AIMP: F-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   279347.4000
   31889.74900
   5649.977600
   1169.273000
   269.0513200
   71.29884600
   22.12150700

   .004654725000
   .007196816857
   .015371258571
   .032771900000
   .070383742857
   .108683807143
   .046652035714
M2
    0
COREREP
   1.0
PROJOP
    0
   14    1
  52.7654040
   210965.4100
   31872.59200
   7315.837400
   2077.215300
   669.9991000
   232.1363900
   84.99573000
   32.90124100
   13.36331800
   5.588141500
   2.319058700
   .9500928100
   .3825419200
   .1478404000
   .000025861368
   .000198149380
   .001031418900
   .004341016600
   .016073698000
   .053856655000
   .151324390000
   .318558040000
   .404070310000
   .190635320000
   .011728993000
   .002954046500
  -.000536098280
   .000278474090
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Huzinaga.7s7p1d.1s2p1d.7e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ne] val[3s,3p]     (61/4111a/1*)=2s4p1d recommended
*
* - p diffuse functions for anion from
*   (5) T.H.Dunning, Jr., and P.J.Hay, in "Modern Theoretical Chemistry",
*        ed. by H.F.Schaefer III (Plenum, New York, 1977) p. 1.
*
*CL-SP(7/61/1)                 (61/4111/1)
  7.000000         2

    7    1
   1542.378690
   233.1320390
   52.24707400
   4.894211280
   2.281766490
   .4914797790
   .1776665720
   .004765903180
   .032037557700
   .094965421700
  -.316640106000
  -.275631669000
   .708946764000
   .482421915000
    7    2
   92.08839380
   20.98602200
   5.975320260
   .6982691070
   .2637879090
   .9973113050E-01
   .4900000000E-01
  -.016221373700   .000000000000
  -.088632076800   .000000000000
  -.184713276000   .000000000000
   .429956497000   .000000000000
   .501543587000   .000000000000
   .198681076000   .000000000000
   .000000000000  1.000000000000
    1    1
   .5140000000
  1.000000000000
*
* Core AIMP: CL-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   310528.2400
   38001.96000
   7723.395300
   1824.063900
   437.6973000
   110.7025300
   25.12129500
   9.308986300
   4.057681700

   .014840872857
   .021500367143
   .040563978571
   .086068214286
   .176760342857
   .219336942857
   .373957442857
   .416858671429
   .078684585714
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  209.768340      21.2145940
   1165033.400
   163171.3900
   35736.87500
   9801.056600
   3002.242500
   999.9510500
   356.8626200
   134.6202400
   53.27067100
   21.82484700
   9.123224500
   3.941379300
   1.742719100
   .7077431900
   .2799432100
   .1056380800
   .000015699898  -.000004402716
   .000133450090  -.000037391250
   .000724800800  -.000203512780
   .003242878700  -.000910885940
   .012945699000  -.003669561900
   .045386562000  -.013091032000
   .134887020000  -.041107368000
   .307978010000  -.106379980000
   .420780640000  -.197986080000
   .210686410000  -.146099280000
   .012104860000   .266862880000
   .004427362600   .631252990000
  -.002107873400   .270924880000
   .001047549100   .007483870500
  -.000481662330   .002834543900
   .000125397880  -.000380593170
   11    1
  16.1439610
   999.9510500
   356.8626200
   134.6202400
   53.27067100
   21.82484700
   9.123224500
   3.941379300
   1.742719100
   .7077431900
   .2799432100
   .1056380800
   .000934548800
   .003791962900
   .018770583000
   .069422520000
   .200882480000
   .375434470000
   .384044230000
   .144855970000
   .009780193200
   .001269038900
   .000299563470
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Br.ECP.Huzinaga.9s8p4d.1s1p2d.7e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ar,3d] val[4s,4p]     (711/5111/3o1*)=3s4p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*BR-SP(9/8/31)                 (711/5111/31)
  7.000000         2

    9    1
   6861.136900
   1039.107120
   235.9940360
   24.51566460
   9.623024320
   5.459232660
   2.223901900
   .3765726030
   .1426956830
  -.002052446370
  -.014138980400
  -.044271211700
   .189025669000
   .148426811000
  -.245314402000
  -.538741835000
   .780126750000
   .422877102000
    8    1
   558.2709390
   130.7132610
   40.38276510
   5.972958170
   2.708871470
   .5646840060
   .2290501920
   .8826465170E-01
   .004716767430
   .029676187700
   .071889858300
  -.158180677000
  -.178893923000
   .392997441000
   .529907528000
   .224389790000
    4    2
   21.70370000
   5.580210000
   1.565494000
   .3890000000
   .285053555000   .000000000000
   .601685569000   .000000000000
   .377082252000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: BR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   409488.2600
   66039.30000
   17121.85400
   5324.086100
   1638.306400
   515.6344400
   150.3225700
   55.21196100
   12.84397300
   5.412155400
   2.108116900

   .035170675714
   .040642485714
   .065931001429
   .118102942857
   .215266385714
   .279132028571
   .492149600000
   .711986814286
   .814053228571
  1.059353014286
   .168211828571
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  980.120120      130.399410      19.7428410
   17684363.00
   3123009.000
   785590.8800
   228915.5800
   66846.13200
   20818.51200
   6848.129900
   2419.228600
   924.0211800
   375.1129900
   160.2663600
   69.71872400
   30.91285000
   13.92220700
   6.181806000
   2.757258600
   1.250823400
   .5400658100
   .2343755400
   .9590407000E-01
   .000002901154  -.000000910773   .000000361794
   .000018554055  -.000005819215   .000002314295
   .000085407061  -.000026827960   .000010652152
   .000395933610  -.000124227690   .000049418547
   .001771649700  -.000557540080   .000221440170
   .007156610300  -.002259133900   .000899379660
   .026424778000  -.008468785300   .003371070500
   .082459185000  -.027360309000   .010965197000
   .207094040000  -.075267295000   .030433099000
   .370033460000  -.164017120000   .068407578000
   .349684680000  -.229061450000   .100421490000
   .102538510000  -.013340455000   .007777973100
  -.000165653490   .567325830000  -.373372080000
   .002182145600   .515329310000  -.514302880000
  -.001269204000   .058930201000   .310879860000
   .000716643030   .008133064000   .798613710000
  -.000433740290  -.003845449200   .219472230000
   .000224702920   .002252634300   .002792528400
  -.000097313436  -.001067999300   .001323947100
   .000025260404   .000272277760   .000028912670
   14    2
  117.107770      14.9554390
   6848.129900
   2419.228600
   924.0211800
   375.1129900
   160.2663600
   69.71872400
   30.91285000
   13.92220700
   6.181806000
   2.757258600
   1.250823400
   .5400658100
   .2343755400
   .9590407000E-01
   .000521625990  -.000210395500
   .002167110800  -.000868365330
   .011011478000  -.004487998100
   .042202904000  -.017358050000
   .135452760000  -.058144890000
   .318344580000  -.143567920000
   .429466450000  -.207833850000
   .222292130000   .008296720300
   .023626866000   .453255530000
   .002528904900   .502460740000
  -.000770104640   .142523460000
   .000516035360   .007221322400
  -.000259314100   .000976514860
   .000068238019   .000319519580
    9    1
  6.43940600
   375.1129900
   160.2663600
   69.71872400
   30.91285000
   13.92220700
   6.181806000
   2.757258600
   1.250823400
   .5400658100
   .001329952200
   .005537104900
   .027763449000
   .093726157000
   .237739880000
   .375100070000
   .349428460000
   .170189870000
   .033703729000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/I.ECP.Barandiaran.11s10p7d.1s1p2d.17e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Kr] val[4d,5s,5p]     (911/7111/511*)=3s4p3d recommended
*I-DSP(A1/A0/61)               (911/7111/511)
 17.000000         2

   11    1
   16064.01530
   2433.291540
   555.0250530
   59.71919960
   23.58349450
   12.54581420
   5.999003340
   3.291569540
   1.416493900
   .2676732090
   .1068583670
   .001157871430
   .008064695830
   .025998637600
  -.123249614000
  -.087855715800
   .274864705000
   .343215065000
  -.299923924000
  -.718707376000
   .832386537000
   .421544447000
   10    1
   1433.307570
   338.3160430
   106.8650370
   16.47251990
   7.818836820
   3.749628530
   1.736568210
   .3557304050
   .1526732310
   .6357531930E-01
  -.002436530160
  -.016054375200
  -.041571530100
   .122550878000
   .087653271000
  -.168548939000
  -.301814890000
   .462721955000
   .513838833000
   .171209607000
    7    2
   204.9296090
   59.45982920
   20.91757080
   3.399859820
   1.429506550
   .5603134600
   .2660000000
  -.020800100800   .000000000000
  -.114353657000   .000000000000
  -.225947314000   .000000000000
   .466079413000   .000000000000
   .500375939000   .000000000000
   .160635535000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: I-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   391685.2900
   60048.30100
   14216.55500
   4056.979300
   1283.295200
   392.5579900
   154.8705300
   43.87809900
   22.03181500
   4.592694800
   2.487267500
   .9722709800

   .025651295882
   .031449382353
   .057374144118
   .096810623529
   .128533264706
   .208194988235
   .311423111765
   .279174558824
   .557258882353
   .284310517647
   .135347058824
   .002119227176
M2
    0
COREREP
   1.0
PROJOP
    2
   12    4
  2354.36990      361.897020      75.8676940      14.4876630
   51990.00000
   9460.000000
   2597.000000
   867.9000000
   324.3000000
   95.90000000
   45.73000000
   19.78000000
   10.22000000
   5.016000000
   2.040000000
   .8971000000
   .011990188000  -.003818721100   .001696314800  -.000782750770
   .064429806000  -.022117349000   .009929057100  -.004402682500
   .218347720000  -.078570098000   .035535057000  -.016337161000
   .434610740000  -.206884560000   .097342921000  -.043740693000
   .372621090000  -.248804710000   .126148210000  -.059799336000
   .061557875000   .336769650000  -.235152310000   .121278420000
  -.024907164000   .661298120000  -.668961720000   .348736660000
   .015689030000   .182887980000  -.028045315000   .052511722000
  -.010861882000  -.012765318000   .908174430000  -.944244710000
   .004951328800   .005574671400   .368933360000  -.318240110000
  -.001690013200  -.001696574200   .016685534000  1.059570500000
   .000464967080   .000375533020  -.000010398346   .379423380000
    9    3
  339.319050      66.2433180      10.9457260
   1726.000000
   440.3000000
   151.4000000
   59.62000000
   23.03000000
   10.25000000
   4.294000000
   1.950000000
   .8105000000
   .028979376000  -.013929315000   .006115374300
   .163596580000  -.080127225000   .035360455000
   .427124630000  -.234877110000   .106092140000
   .451814510000  -.221431720000   .096982416000
   .113031990000   .357171600000  -.231603060000
  -.009150281300   .646947460000  -.453019190000
   .005066075600   .153089020000   .263249210000
  -.002441319100  -.004813640700   .731237910000
   .000632813700   .002181153100   .215962310000
    8    1
  48.5702650
   257.1000000
   79.46000000
   31.01500000
   13.30800000
   5.921900000
   2.693400000
   1.203300000
   .4921900000
   .032239031000
   .169387940000
   .397470340000
   .443274740000
   .173143110000
   .012419045000
   .001333065800
  -.000359429530
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/At.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.17e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*AT-DSP(A3/A2/71/5)            (A111/9111/611/41)
 17.000000         3

   13    1
   142215.0450
   21286.95710
   4786.011010
   1325.096350
   165.0803600
   84.94155210
   29.73250170
   9.228784690
   5.476680640
   3.839226110
   1.262656820
   .2229084030
   .9016868980E-01
  -.000156596954
  -.001195042100
  -.005657461190
  -.015204503300
   .080441088400
   .023996311400
  -.284606661000
   .096803581100
   .731416829000
  -.319262601000
  -.919096480000
   .893888805000
   .372197629000
   12    1
   4039.948730
   958.2367780
   307.0208690
   49.83673180
   19.63075990
   13.66868360
   7.026294420
   2.600309960
   1.368334340
   .2910377910
   .1254579370
   .5368082020E-01
   .001311630380
   .008984132680
   .024753779600
  -.086475281900
  -.066025813000
   .146399169000
   .164541465000
  -.178888248000
  -.337927844000
   .505294742000
   .505530104000
   .142567612000
    8    2
   711.3809110
   211.4959670
   78.65466240
   17.22445700
   10.22752690
   1.968518750
   .7147379460
   .2250000000
   .008058918010   .000000000000
   .050124702700   .000000000000
   .111489255000   .000000000000
  -.141073002000   .000000000000
  -.250595947000   .000000000000
   .652294572000   .000000000000
   .457868783000   .000000000000
   .000000000000  1.000000000000
    5    1
   117.9900000
   39.78900000
   15.90000000
   6.599600000
   2.593200000
   .062656042000
   .263998850000
   .466223930000
   .390976100000
   .115811630000
*
* Core AIMP: AT-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   3663200.000
   484680.0000
   103827.0000
   27382.00000
   8388.100000
   2788.200000
   929.1800000
   387.8900000
   116.1330000
   69.82600000
   16.06900000
   6.182600000
   2.632900000
   1.161270000

   .017305312353
   .023269756471
   .043394871176
   .076874623529
   .123628276471
   .162580870588
   .281486170588
   .357030882353
   .545197282353
   .464624894118
  1.251688588235
   .289294729412
   .347592923529
   .016030834706
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  6305.26640      1084.02020      268.011260      64.8935740      12.8620890
   405800.0000
   69900.00000
   18070.00000
   5738.000000
   2067.000000
   806.3000000
   253.0000000
   119.3000000
   47.06000000
   25.99000000
   10.98000000
   6.081000000
   2.687000000
   1.431000000
   .6621000000
   .003065513300   .001076455700   .000507410920   .000258899040   .000121246190
   .019082200000   .006233235600   .003016320200   .001523306200   .000689364270
   .078275252000   .028179781000   .013462485000   .006861847800   .003186555000
   .232017710000   .087557731000   .043102530000   .021921550000   .009993216800
   .427285260000   .217889100000   .110294250000   .056953765000   .026461268000
   .346753770000   .241392500000   .135792280000   .071352817000   .032743275000
   .052341262000  -.374112270000  -.304725670000  -.174360630000  -.081630795000
  -.017752947000  -.678404800000  -.762159790000  -.492638050000  -.242908950000
   .011908444000  -.157086260000   .273339610000   .296287610000   .169045910000
  -.009426540300   .037160607000   .934276790000  1.187288500000   .680668220000
   .006158849200  -.016482393000   .191233180000  -.289704170000  -.216403440000
  -.004413844300   .010665421000  -.031923528000 -1.063642300000 -1.273341700000
   .002248912900  -.004996970500   .011285350000  -.164907340000   .112592310000
  -.001133743400   .002430454400  -.005106198500   .010259642000  1.102072900000
   .000247014890  -.000521965070   .000981840870  -.002176426600   .257366300000
   12    4
  1044.11140      248.831210      56.2217900      9.61972770
   8739.000000
   2249.000000
   785.8000000
   318.5000000
   141.3800000
   61.97000000
   30.05000000
   13.48200000
   6.601000000
   2.805000000
   1.352700000
   .5784000000
   .009990864900   .005016051400   .002570133900   .001124921400
   .063915946000   .034203791000   .017291642000   .007631965200
   .228941410000   .127157490000   .066228951000   .029205379000
   .438096330000   .275436710000   .145190280000   .064698153000
   .358723580000   .151965030000   .072321735000   .030719534000
   .076338799000  -.461672850000  -.389307490000  -.191135680000
  -.004694704700  -.577244670000  -.449229110000  -.218419220000
   .002548793900  -.119709260000   .472557670000   .348832810000
  -.001445515100   .006500749000   .689778170000   .535532350000
   .000690649600  -.003332055300   .110916450000  -.415680500000
  -.000330474640   .001590278800  -.007511968900  -.710100390000
   .000087678554  -.000373138500   .001837730100  -.148770200000
   10    2
  213.487940      40.2643480
   756.6000000
   235.4000000
   92.74000000
   40.75000000
   18.01400000
   8.295000000
   3.754000000
   1.735200000
   .7746000000
   .3120000000
   .033602130000   .018332437000
   .187915810000   .104027150000
   .441525150000   .250559290000
   .424193420000   .142328820000
   .117887900000  -.391809470000
   .000444414520  -.569990280000
   .002562908400  -.180290840000
  -.001223769700  -.004607906800
   .000514941570  -.001956114900
  -.000145277680   .000558474410
    5    1
  18.3601450
   117.9900000
   39.78900000
   15.90000000
   6.599600000
   2.593200000
   .062656042000
   .263998850000
   .466223930000
   .390976100000
   .115811630000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         C.2.1.8. Group 0 Elements (Noble Gases)
********************************************************************************
*
/Ne.ECP.Huzinaga.5s5p1d.1s1p1d.8e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[He] val[2s,2p]     (41/311/1*)=2s3p1d recommended
*NE-SP(5/5/1)                  (41/311/1)
  8.000000         2

    5    1
   508.4367130
   76.80011330
   16.95637100
   1.381211100
   .4258379500
  -.013807481200
  -.089784243000
  -.250408796000
   .634211215000
   .464401422000
    5    1
   55.25648900
   12.55346760
   3.714656050
   1.153175560
   .3324828220
   .016902619600
   .106449338000
   .319878145000
   .485779087000
   .334982191000
    1    1
   1.888000000
  1.000000000000
*
* Core AIMP: NE-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    7
   292201.2500
   34636.08400
   6298.765000
   1328.725600
   311.9935500
   84.79358100
   26.83998900

   .004398482375
   .006620867125
   .014029660000
   .029755450000
   .062983793750
   .093730380000
   .038481366250
M2
    0
COREREP
   1.0
PROJOP
    0
   14    1
  65.5448220
   224935.4200
   34295.05000
   8406.801600
   2499.477500
   813.7704300
   278.1158400
   99.57788200
   37.85067400
   15.16183100
   6.205847300
   2.543361400
   1.037718800
   .4217069400
   .1664631800
   .000031385902
   .000229029430
   .001076798100
   .004399796900
   .016512480000
   .057116300000
   .163672530000
   .340532180000
   .403639130000
   .159607050000
   .004439991200
   .003690603700
  -.000927419140
   .000363348590
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ar.ECP.Huzinaga.7s6p1d.1s1p1d.8e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*AR-SP(7/6/1)                  (61/411/1)
  8.000000         2

    7    1
   1732.720560
   261.8318650
   58.75194880
   5.701985990
   2.827240750
   .5714347780
   .2074080710
   .004988661940
   .033616229700
   .099822122600
  -.313480691000
  -.286784740000
   .731710124000
   .455911095000
    6    1
   107.4545850
   24.59070860
   7.080188890
   .8536022090
   .3232181290
   .1213145960
  -.016239442400
  -.090018895300
  -.190833020000
   .434311545000
   .498882043000
   .198540196000
    1    1
   .6170000000
  1.000000000000
*
* Core AIMP: AR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   337361.6300
   45322.02700
   9124.528100
   2028.821700
   492.0912200
   131.9502100
   30.19017400
   10.47538100
   4.163054100

   .013003328750
   .017749956250
   .036414232500
   .077714298750
   .150838087500
   .185572137500
   .328929087500
   .394266837500
   .045512035000
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  237.220060      24.6438580
   1192038.600
   176715.1500
   40309.61900
   11089.57700
   3461.232200
   1163.641300
   409.9394400
   153.0843700
   60.63751100
   25.04003900
   10.55074600
   4.571726500
   2.015610600
   .8363500000
   .3325298500
   .1255147300
   .000017305586  -.000004914785
   .000134353860  -.000038137958
   .000714402680  -.000203112050
   .003186319100  -.000906873290
   .012289484000  -.003526218500
   .043710502000  -.012766044000
   .133737610000  -.041205929000
   .306772570000  -.107326010000
   .419032580000  -.198726060000
   .214915070000  -.151473200000
   .014438353000   .259022500000
   .003955977000   .639833860000
  -.001900079300   .272083570000
   .000949754940   .006870357100
  -.000440768270   .003527818900
   .000111848780  -.000469243840
   11    1
  19.1423500
   1163.641300
   409.9394400
   153.0843700
   60.63751100
   25.04003900
   10.55074600
   4.571726500
   2.015610600
   .8363500000
   .3325298500
   .1255147300
   .000902219310
   .003813248800
   .018982288000
   .069788676000
   .200278290000
   .377018300000
   .386376850000
   .139465180000
   .007800546900
   .000751046840
  -.000130005420
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Kr.ECP.Huzinaga.9s8p4d.1s1p2d.8e-NR-AIMP.
S.Huzinaga, L.Seijo, Z.Barandiaran, M. Klobukowski, J.Chem.Phys. 86(1987)2132.
core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*KR-SP(9/8/31)                 (711/611/31)
  8.000000         2

    9    1
   7274.645980
   1101.318620
   250.1403860
   26.11503800
   10.54797900
   5.782633050
   2.459253510
   .4306589770
   .1642150220
  -.002156409010
  -.014874498400
  -.046668412800
   .198817700000
   .145764367000
  -.242918566000
  -.565353682000
   .793370938000
   .419943052000
    8    1
   594.5425580
   139.3794390
   43.16751260
   6.450782990
   2.995759240
   .6487562200
   .2649002970
   .1023813550
   .004976840370
   .031371215400
   .076213953000
  -.167167344000
  -.187491827000
   .406292346000
   .527537439000
   .215992467000
    4    2
   24.15140000
   6.275880000
   1.793820000
   .4430000000
   .279100672000   .000000000000
   .602280717000   .000000000000
   .376477941000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: KR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   400264.0500
   62772.19800
   15453.66100
   4780.769900
   1557.984500
   501.2682800
   150.2360300
   57.49163800
   13.65270000
   5.859954800
   2.335747500

   .032359150000
   .038771338750
   .065704391250
   .109140245000
   .189873000000
   .246573375000
   .440693937500
   .601156662500
   .728141300000
   .914531650000
   .133054950000
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1040.33100      139.806340      21.6987840
   25938178.00
   4140857.500
   906263.1500
   248934.3700
   73106.49000
   22741.08100
   7471.168000
   2628.470800
   1003.015400
   407.7506300
   174.5650200
   76.16804300
   33.87991000
   15.32144100
   6.899594000
   3.098941900
   1.399076800
   .6140783000
   .2543603700
   .1003559900
   .000001979790  -.000000623147   .000000249933
   .000015256004  -.000004798623   .000001926309
   .000083905635  -.000026420416   .000010593714
   .000384040440  -.000120839850   .000048523629
   .001698222100  -.000535770580   .000214858790
   .006884695600  -.002179039000   .000875681940
   .025556822000  -.008206894300   .003298420900
   .080313592000  -.026689425000   .010795827000
   .202228640000  -.073444155000   .029978586000
   .364956910000  -.160965170000   .067706802000
   .354520490000  -.229341290000   .101420400000
   .110438810000  -.029788896000   .015781964000
   .000166541410   .548389110000  -.360204950000
   .002473855100   .533133500000  -.532580030000
  -.001474561200   .069458510000   .264267180000
   .000830751280   .008369275700   .816846670000
  -.000494936030  -.003702387400   .243666900000
   .000248352700   .002077686000   .000161555930
  -.000099209494  -.000932878830   .002978135600
   .000025919063   .000236911380  -.000373065760
   14    2
  126.019590      16.6628140
   7471.168000
   2628.470800
   1003.015400
   407.7506300
   174.5650200
   76.16804300
   33.87991000
   15.32144100
   6.899594000
   3.098941900
   1.399076800
   .6140783000
   .2543603700
   .1003559900
   .000498116200  -.000203305840
   .002091018100  -.000850639670
   .010610547000  -.004375534200
   .040694285000  -.016976777000
   .131069780000  -.056906570000
   .311028340000  -.142216800000
   .429297300000  -.210201360000
   .232067200000  -.007708930700
   .026977062000   .439027420000
   .002756889800   .517698370000
  -.000815127030   .150404000000
   .000523655410   .005804987000
  -.000234000770   .000957969270
   .000068211119  -.000134404020
    9    1
  7.65031420
   407.7506300
   174.5650200
   76.16804300
   33.87991000
   15.32144100
   6.899594000
   3.098941900
   1.399076800
   .6140783000
   .001304636700
   .005482327100
   .027277211000
   .093476395000
   .235678490000
   .373470700000
   .355461580000
   .164986070000
   .029876597000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Xe.ECP.Barandiaran.11s10p7d.1s1p2d.18e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*XE-DSP(A1/A0/61)              (911/811/511)
 18.000000         2

   11    1
   16703.03790
   2529.928300
   576.6601760
   62.02981910
   20.03801660
   14.94196440
   5.497298620
   3.830245530
   1.500021240
   .3090954910
   .1243823250
  -.001222185300
  -.008518682880
  -.027492832000
   .132116759000
   .256837962000
  -.458502242000
  -.577851057000
   .546707978000
   .748381228000
  -.831528617000
  -.446432848000
   10    1
   1505.715470
   355.6001200
   112.3606710
   16.68920480
   6.216154790
   4.312743250
   1.800823990
   .4451376920
   .2009321390
   .8215569280E-01
  -.002560050210
  -.016929645000
  -.044388023500
   .146599859000
   .166999227000
  -.279555350000
  -.319105639000
   .392590146000
   .543084825000
   .226926040000
    7    2
   216.1813430
   62.79487220
   22.14891850
   3.632866560
   1.543607110
   .6110996060
   .2970000000
  -.021070909400   .000000000000
  -.116654952000   .000000000000
  -.232115244000   .000000000000
   .476116273000   .000000000000
   .496792579000   .000000000000
   .148509690000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: XE-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   437148.0000
   75147.50000
   19268.40000
   5774.110000
   1946.130000
   660.7740000
   245.9220000
   110.4341000
   34.13100000
   19.97311000
   4.458340000
   2.287360000

   .022837787222
   .025300033333
   .045005301111
   .075945650000
   .105849277778
   .134146622222
   .262638038889
   .189478183333
   .426922966667
   .323352055556
   .312158783333
   .076365300000
M2
    0
COREREP
   1.0
PROJOP
    2
   21    4
  2448.79320      378.679110      80.3503190      15.7116940
   17406192.00
   3011538.700
   792091.8700
   230587.8500
   71055.06400
   22818.10100
   7854.512900
   2951.228200
   1201.322500
   522.8364400
   237.1933200
   110.2449900
   52.02221800
   24.52404800
   11.72047700
   5.546455900
   2.634090400
   1.235242500
   .5259435600
   .2670216700
   .1242007500
   .000009115260  -.000002964551   .000001325502  -.000000604943
   .000055106406  -.000017913028   .000008013354  -.000003649943
   .000254013980  -.000082669036   .000036956701  -.000016881626
   .001121900600  -.000365141790   .000163393610  -.000074396331
   .004682279500  -.001530550600   .000684638180  -.000312800710
   .018105183000  -.005972192600   .002677607400  -.001219572900
   .059608746000  -.020247907000   .009106019300  -.004166902500
   .158650290000  -.057708962000   .026248038000  -.011979347000
   .312662790000  -.133391710000   .062004225000  -.028632507000
   .378718700000  -.219866600000   .107680310000  -.049690347000
   .194841510000  -.155223100000   .082721260000  -.040341497000
   .017587679000   .308485710000  -.205758650000   .105277460000
   .002397416300   .649293860000  -.638652150000   .338254700000
  -.001691717300   .241221800000  -.187421590000   .133980160000
   .001128413100   .004975922600   .896498260000  -.852004570000
  -.000785905910   .003274103900   .463208880000  -.589644090000
   .000504660550  -.001940696200   .003068332100   .912854530000
  -.000284099620   .000855123670   .012750934000   .626696240000
   .000163611360  -.000483626840  -.006279973500   .027778561000
  -.000087360598   .000259531300   .003210938000   .004032029800
   .000021474066  -.000061703261  -.000825046210  -.000430194600
   17    3
  355.563540      70.4422540      12.0158250
   22818.10100
   7854.512900
   2951.228200
   1201.322500
   522.8364400
   237.1933200
   110.2449900
   52.02221800
   24.52404800
   11.72047700
   5.546455900
   2.634090400
   1.235242500
   .5259435600
   .2670216700
   .1242007500
   .4985603800E-01
   .000314384670  -.000147010690   .000065329085
   .001417646900  -.000664699880   .000293605660
   .007329675700  -.003459843100   .001540423400
   .028760060000  -.013783551000   .006121242700
   .094055593000  -.046556998000   .020920498000
   .236595220000  -.123692460000   .055923566000
   .398728010000  -.224676750000   .104088250000
   .327412980000  -.142465460000   .058913719000
   .082217172000   .322207970000  -.206023970000
   .002388972900   .608002930000  -.447564420000
   .000360471140   .216691480000   .068129824000
  -.000255326690   .007138885400   .682196300000
   .000037764385   .003432301300   .387559110000
  -.000031342187  -.001618467800   .032688611000
   .000017905528   .000995591870   .001007620100
  -.000006714891  -.000403960860  -.000149395570
   .000001606656   .000098148923   .000111195640
   12    1
  52.2368520
   2951.228200
   1201.322500
   522.8364400
   237.1933200
   110.2449900
   52.02221800
   24.52404800
   11.72047700
   5.546455900
   2.634090400
   1.235242500
   .5259435600
   .000164288980
   .000886026360
   .004947580000
   .022828500000
   .082517034000
   .225477680000
   .394125620000
   .364448620000
   .124663480000
   .007570873200
   .001114970900
  -.000333469640
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Rn.ECP.Barandiaran.13s12p8d5f.1s1p2d1f.18e-NR-AIMP.
Z.Barandiaran and L.Seijo, J.Chem.Phys. 101(1994)4049.
core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*RN-DSP(A3/A2/71/5)            (A111/9111/611/41)
 18.000000         3

   13    1
   142445.4040
   21269.35520
   4791.191390
   1351.198810
   166.4257710
   97.86455520
   29.28843140
   14.38521510
   5.826403620
   4.245656370
   1.346421330
   .2512916570
   .1031521160
   .000168556553
   .001292569660
   .006034357810
   .015769158500
  -.087284366800
  -.016589062700
   .316602406000
  -.064510856400
  -.883125123000
   .376917402000
   .978186849000
  -.900036979000
  -.386814858000
   12    1
   4167.856070
   987.4655420
   315.9108450
   50.98981530
   18.85634370
   13.75210140
   6.541165960
   3.052377330
   1.492547190
   .3305104330
   .1458867050
   .6283639630E-01
   .001380853630
   .009502242380
   .026370982900
  -.093318306100
  -.088831663600
   .198094672000
   .177641293000
  -.187387161000
  -.385380716000
   .503284433000
   .506952727000
   .150324718000
    8    2
   733.6844960
   218.2332180
   81.20312690
   17.63663390
   10.55319670
   2.090646650
   .7737137950
   .2470000000
   .008251926470   .000000000000
   .051505668100   .000000000000
   .115209871000   .000000000000
  -.150614278000   .000000000000
  -.253406557000   .000000000000
   .660936651000   .000000000000
   .447195031000   .000000000000
   .000000000000  1.000000000000
    5    1
   104.3100000
   34.97000000
   13.95000000
   5.897000000
   2.405000000
   .085072961000
   .319646390000
   .481357170000
   .330514180000
   .078988643000
*
* Core AIMP: RN-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   4687170.000
   200058.0000
   59095.00000
   19690.90000
   7173.460000
   2722.370000
   1029.232000
   458.7530000
   173.4790000
   86.22480000
   17.89440000
   10.35071000
   3.478670000
   1.830350000

   .028897613889
   .027161406667
   .045178930000
   .073516588889
   .109023538889
   .137121088889
   .223143038889
   .330240944444
   .239428983333
   .743956000000
  1.008319222222
   .355794416667
   .372652955556
   .083343061111
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  6460.62570      1113.82620      276.843740      67.8414980      13.8116400
   215900.0000
   39470.00000
   10910.00000
   3683.000000
   1429.000000
   621.6000000
   228.1000000
   107.3000000
   42.46000000
   22.82000000
   9.799000000
   5.310000000
   2.230000000
   1.181000000
   .5366000000
   .006789361300   .002354744000   .001099080400   .000570163130   .000261245790
   .037450226000   .012459389000   .006111490800   .003062473500   .001442324200
   .134055390000   .049750085000   .023671269000   .012245822000   .005640092900
   .324146750000   .132869700000   .067189731000   .034036854000   .016030326000
   .417574090000   .255165430000   .130958680000   .069292047000   .032027423000
   .209437880000   .129964510000   .081137480000   .041486910000   .020216321000
   .020881996000  -.512268010000  -.448717220000  -.258340290000  -.125905060000
  -.005508093400  -.588865270000  -.674297980000  -.456532810000  -.225208930000
   .003380765300  -.098959027000   .587181950000   .652737040000   .359183870000
  -.002656763400   .024891363000   .747043710000   .970379730000   .600058370000
   .001721659500  -.011082157000   .104939980000  -.719310300000  -.651963650000
  -.001152157300   .006836462000  -.016645783000  -.811525540000 -1.061785200000
   .000577743470  -.003211762500   .005479133600  -.077916442000   .679162480000
  -.000304156850   .001638528700  -.002743754600   .007692804200   .837056100000
   .000067241592  -.000357261710   .000559552410  -.001225547700   .090251219000
   12    4
  1073.35390      257.343110      58.9823650      10.4504230
   6507.000000
   1690.000000
   599.6000000
   246.8000000
   110.6800000
   51.37000000
   25.32000000
   11.62900000
   5.810000000
   2.512000000
   1.204900000
   .5191000000
   .016995374000   .008657577000   .004479493600   .001967134300
   .100780760000   .054463339000   .027617154000   .012512358000
   .310536040000   .178391330000   .094449497000   .042038253000
   .466158560000   .296834660000   .156132300000   .071808716000
   .251770880000  -.010173017000  -.030242325000  -.019936039000
   .025634475000  -.598660130000  -.522671320000  -.258166140000
   .001194443600  -.432717580000  -.241835300000  -.114038790000
  -.000939730090  -.059015446000   .657242400000   .512778570000
   .000501114660   .003275100700   .529334460000   .374298260000
  -.000254996390  -.001325476400   .059609952000  -.622506810000
   .000131598120   .000667671250  -.003854388100  -.583190600000
  -.000033947586  -.000151767020   .000896053980  -.076024565000
   10    2
  221.402690      42.6626280
   1144.600000
   366.1000000
   150.8900000
   70.04000000
   34.87400000
   17.64800000
   4.661000000
   9.074400000
   2.131300000
   2.076000000
   .015321500000   .008246668700
   .093810092000   .052090720000
   .277504850000   .157074700000
   .427471190000   .234091640000
   .306000080000   .041544938000
   .081974275000  -.369770990000
   .000899307920  -.225054100000
   .004722394300  -.501331510000
  -.003803386600  -.077176941000
   .003578807700   .051301958000
    5    1
  20.2152610
   104.3100000
   34.97000000
   13.95000000
   5.897000000
   2.405000000
   .085072961000
   .319646390000
   .481357170000
   .330514180000
   .078988643000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
*
*
********************************************************************************
*    C.2.2. Transition Metal Elements
********************************************************************************
*
********************************************************************************
*         C.2.2.1. First Series Transition Metal Elements
********************************************************************************
*
* - d diffuse functions for  (3d,4s)n  configurations from
*   P.J.Hay, J.Chem.Phys. 66(1977)4377.
*
********************************************************************************
*
/Sc.ECP.Seijo.9s6p6d.1s2p2d.9e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*SC2D-PDS(9/51/51)             (711/411/3111)
  9.000000         2

    9    1
   2402.931450
   361.5691730
   81.21807180
   7.749152610
   3.092323540
   1.318361380
   .4933804810
   .6922595520E-01
   .2723294630E-01
  -.001338961220
  -.009143857840
  -.027666010500
   .114662195000
   .092691363500
  -.190478902000
  -.378001712000
   .711080414000
   .437609014000
    6    2
   165.6343650
   38.20545450
   11.23732730
   1.294616650
   .4338313740
   .6700000000E-01
  -.017377946300   .000000000000
  -.101123163000   .000000000000
  -.230086213000   .000000000000
   .610783250000   .000000000000
   .480951576000   .000000000000
   .000000000000  1.000000000000
    6    2
   19.21738150
   5.123372450
   1.662062960
   .5441756280
   .1632010820
   .5880000000E-01
   .027113457500   .000000000000
   .137930453000   .000000000000
   .347528405000   .000000000000
   .486133829000   .000000000000
   .344128126000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: SC2D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   277100.0000
   33560.00000
   6699.000000
   1671.000000
   490.0000000
   153.2000000
   42.71000000
   16.21400000
   3.486000000
   1.339300000

   .016162887000
   .023459163778
   .045471238778
   .084743550000
   .137513611111
   .153045611111
   .281424870000
   .380428584444
   .116799496667
   .094284321000
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  331.799120      38.1605940      5.13400020
   1854428.900
   304224.1700
   75116.54500
   20462.18100
   6139.857300
   1980.585600
   699.9649100
   267.5487000
   108.1919100
   45.82152100
   19.63941600
   8.542330700
   3.794203600
   1.621245500
   .7024988500
   .3053397900
   .1122837600
   .5817351400E-01
   .2611204500E-01
   .6795418000E-02
   .000014266367  -.000004179684   .000001472916
   .000093018897  -.000027268730   .000009597335
   .000477252590  -.000139882060   .000049321587
   .002232329200  -.000655885930   .000230839790
   .009323184800  -.002751842200   .000971181620
   .034257442000  -.010284514000   .003627116100
   .103522790000  -.032395461000   .011511204000
   .247593240000  -.085964035000   .030774579000
   .398157390000  -.174704580000   .064628920000
   .298618540000  -.200644490000   .077392244000
   .055457724000   .085492321000  -.034419521000
   .001038663600   .603972090000  -.346888720000
   .000144435350   .433788710000  -.421291050000
   .000066330128   .031772273000   .336778920000
  -.000146629060   .006800882600   .758482920000
   .000073524575  -.003060656600   .209641630000
  -.000054553916   .002406372800  -.002375798500
   .000037961590  -.001684641000   .002517137900
  -.000012407174   .000553881640  -.000673196370
   .000001882629  -.000084435882   .000087659624
   12    1
  31.3357640
   1980.585600
   699.9649100
   267.5487000
   108.1919100
   45.82152100
   19.63941600
   8.542330700
   3.794203600
   1.621245500
   .7024988500
   .3053397900
   .1122837600
   .000660586760
   .002707924700
   .013439662000
   .049797773000
   .152162180000
   .332016050000
   .420306450000
   .206596450000
   .019665935000
   .000910807860
  -.000225680240
   .000073197526
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ti.ECP.Seijo.9s6p6d.1s2p2d.10e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*TI3F-PDS(9/51/51)             (711/411/3111)
 10.000000         2

    9    1
   2609.464810
   395.0293480
   89.27975530
   8.654831410
   3.498992050
   1.481841650
   .5566953230
   .7719664750E-01
   .2992259990E-01
  -.001358979830
  -.009208367950
  -.027765387500
   .114939039000
   .089912645600
  -.190894260000
  -.364562377000
   .688883994000
   .456362438000
    6    2
   186.3618670
   43.05953560
   12.73653320
   1.487224050
   .4978454050
   .7300000000E-01
  -.017429463800   .000000000000
  -.102396895000   .000000000000
  -.234987099000   .000000000000
   .613866841000   .000000000000
   .478183691000   .000000000000
   .000000000000  1.000000000000
    6    2
   23.29775610
   6.297654730
   2.070792070
   .6900521550
   .2108531070
   .7200000000E-01
   .026859682300   .000000000000
   .138830832000   .000000000000
   .353135703000   .000000000000
   .486416371000   .000000000000
   .328922756000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: TI3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   267000.0000
   31450.00000
   6222.000000
   1548.000000
   455.1000000
   140.1000000
   41.20000000
   16.58800000
   3.398000000
   1.424400000

   .015726575800
   .023226949100
   .045123595500
   .084093481000
   .130730628000
   .139174811000
   .278296356000
   .303884121000
   .109922292000
   .069821190600
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  366.545060      42.8454320      5.74636240
   2468951.300
   352248.7500
   80145.87500
   22043.93800
   6710.594000
   2218.092800
   789.3672600
   301.3324600
   121.6897000
   51.40676000
   22.00972200
   9.661896900
   4.352760000
   1.877263900
   .8025855400
   .3374791800
   .1264062400
   .6162525800E-01
   .3268789100E-01
   .1576192100E-01
   .000011767650  -.000003476778   .000001243065
   .000095153442  -.000028127315   .000010050541
   .000499068560  -.000147519630   .000052761039
   .002268505400  -.000672147260   .000240182890
   .009183468500  -.002733725600   .000978636880
   .032952385000  -.009972489900   .003571245600
   .100628130000  -.031715144000   .011428289000
   .242983390000  -.084807868000   .030842875000
   .396845030000  -.174436840000   .065396007000
   .305548260000  -.205072980000   .080674030000
   .058483311000   .077687089000  -.032511198000
   .001091505700   .595354980000  -.346057510000
   .000096770945   .441900850000  -.432204880000
   .000110944240   .040167873000   .326751500000
  -.000174356760   .004715624000   .775144870000
   .000092688261  -.001832796700   .208148720000
  -.000074822566   .001739806500  -.007029731200
   .000066494940  -.001570409000   .006061675200
  -.000036654565   .000873686610  -.002860153900
   .000008903729  -.000213529950   .000629355310
   12    1
  35.5818740
   2218.092800
   789.3672600
   301.3324600
   121.6897000
   51.40676000
   22.00972200
   9.661896900
   4.352760000
   1.877263900
   .8025855400
   .3374791800
   .1264062400
   .000646965990
   .002619774400
   .013182032000
   .049062112000
   .152159200000
   .331871830000
   .416118380000
   .208308600000
   .022009026000
   .000652513620
  -.000006914189
   .000030125554
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/V.ECP.Seijo.9s6p6d.1s2p2d.11e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*V4F-PDS(9/51/51)              (711/411/3111)
 11.000000         2

    9    1
   2812.476610
   427.5686600
   97.36566170
   9.631617410
   3.896286040
   1.702639110
   .6339580580
   .8322694180E-01
   .3178166790E-01
  -.001377156300
  -.009259801160
  -.027672337800
   .114188930000
   .090200336200
  -.184462088000
  -.357256733000
   .687224537000
   .451917012000
    6    2
   208.1655600
   48.18593170
   14.32619130
   1.689329430
   .5643408440
   .8000000000E-01
  -.017448748400   .000000000000
  -.103323360000   .000000000000
  -.238887455000   .000000000000
   .616216417000   .000000000000
   .476204948000   .000000000000
   .000000000000  1.000000000000
    6    2
   27.10478110
   7.392077480
   2.448344930
   .8212979800
   .2517057620
   .8200000000E-01
   .027062945900   .000000000000
   .141289481000   .000000000000
   .358208393000   .000000000000
   .484743690000   .000000000000
   .320953911000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: V4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   266000.0000
   31380.00000
   6263.000000
   1582.000000
   473.6000000
   147.2000000
   44.36000000
   18.16400000
   3.706000000
   1.574200000

   .015054287455
   .022160489182
   .042743483273
   .078537792364
   .119274906364
   .126248155455
   .256862626364
   .268235110000
   .101464937273
   .060327303273
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  403.005120      47.7488220      6.36591540
   2492774.500
   378528.5500
   86866.37300
   24106.25300
   7479.348100
   2494.043000
   891.2580000
   341.2593700
   138.1844900
   58.56196400
   25.00920300
   10.94955400
   4.898648500
   2.136196900
   .9181363200
   .3878825800
   .1451047300
   .6998571400E-01
   .3903882800E-01
   .2056768200E-01
   .000012595756  -.000003749223   .000001356105
   .000095578727  -.000028470003   .000010288701
   .000504601780  -.000150257910   .000054372765
   .002234240400  -.000667132870   .000241080440
   .008860012600  -.002656465800   .000962251930
   .031729569000  -.009672197900   .003502546100
   .096881404000  -.030705015000   .011195679000
   .235417350000  -.082438989000   .030307817000
   .391480270000  -.171221370000   .064938225000
   .315702620000  -.209742530000   .083270362000
   .066889393000   .058940155000  -.024275130000
   .000111664450   .594817230000  -.350000720000
   .000846134090   .454888120000  -.443089420000
  -.000339415140   .040107092000   .320710230000
   .000095213983   .006581655300   .770124970000
  -.000066265004  -.002813229500   .223572030000
   .000044734594   .002549342700  -.008419603200
  -.000042133688  -.002504234400   .008883503600
   .000025765585   .001562600900  -.005050021200
  -.000006608277  -.000405936680   .001238755300
   12    1
  40.0443880
   2494.043000
   891.2580000
   341.2593700
   138.1844900
   58.56196400
   25.00920300
   10.94955400
   4.898648500
   2.136196900
   .9181363200
   .3878825800
   .1451047300
   .000626848440
   .002495526800
   .012672287000
   .046920540000
   .147830940000
   .329528240000
   .420789830000
   .212049640000
   .021109868000
   .001595410300
  -.000311402050
   .000129357210
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cr.ECP.Seijo.9s6p6d.1s2p2d.12e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*CR7S-PDS(9/51/51)             (711/411/3111)
 12.000000         2

    9    1
   2988.679050
   457.2407220
   104.9039140
   11.01805210
   4.974185450
   1.736799670
   .6623752440
   .7908691160E-01
   .2995689700E-01
  -.001306667070
  -.008696044140
  -.025608670900
   .095776523000
   .078061565600
  -.174697550000
  -.302851872000
   .668695193000
   .453945016000
    6    2
   231.9200380
   53.76619010
   16.05002570
   1.883859650
   .6108565410
   .7700000000E-01
  -.017157843300   .000000000000
  -.102483319000   .000000000000
  -.239272607000   .000000000000
   .616962347000   .000000000000
   .479230255000   .000000000000
   .000000000000  1.000000000000
    6    2
   27.37244930
   7.424158650
   2.424122420
   .7802421170
   .2193197490
   .9120000000E-01
   .030948873500   .000000000000
   .156883400000   .000000000000
   .370026252000   .000000000000
   .470503311000   .000000000000
   .338244730000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: CR7S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   272000.0000
   32730.00000
   6622.000000
   1689.000000
   509.2000000
   158.8000000
   48.17000000
   19.83500000
   3.991000000
   1.677900000

   .014236550750
   .020655008417
   .039670720500
   .072579541833
   .109574238333
   .116111757500
   .238923807500
   .241284468333
   .094782594167
   .052181312667
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  440.773440      52.4188480      6.56963180
   3801762.000
   575119.9800
   133578.5400
   35099.54300
   10688.28900
   3578.856100
   1316.044500
   526.1183900
   219.9362500
   94.43242000
   40.87134100
   17.82631800
   7.894290400
   3.383349000
   1.489825200
   .6482471600
   .2663938800
   .1021506400
   .5137953400E-01
   .2826113000E-01
   .000008423591  -.000002525118   .000000913315
   .000061346171  -.000018389472   .000006664097
   .000338819650  -.000101617040   .000036729785
   .001607314000  -.000482617160   .000175011730
   .006368723500  -.001920493900   .000694210130
   .022462731000  -.006851385700   .002490664100
   .066227934000  -.020815047000   .007552161900
   .163935620000  -.055161706000   .020308009000
   .320241590000  -.125737630000   .046741477000
   .384441820000  -.208560530000   .081750303000
   .174351490000  -.124617270000   .050683946000
   .007978616800   .357769590000  -.173343250000
   .003567992500   .649446310000  -.506835920000
  -.002068754400   .181173360000  -.089638020000
   .001273592100  -.004399403600   .700579140000
  -.000792026390   .005681372200   .499035580000
   .000442170860  -.002306519100   .054299443000
  -.000313152990   .001681007000  -.003510323800
   .000222314500  -.001040739400   .001910668400
  -.000074365837   .000430736760  -.000701542610
   12    1
  44.2792420
   3578.856100
   1316.044500
   526.1183900
   219.9362500
   94.43242000
   40.87134100
   17.82631800
   7.894290400
   3.383349000
   1.489825200
   .6482471600
   .2663938800
   .000391697660
   .001436337100
   .006956884500
   .026345596000
   .089678829000
   .236740300000
   .409408190000
   .343312330000
   .078952347000
  -.000113306110
   .001637666700
  -.000235880540
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Mn.ECP.Seijo.9s6p6d.1s2p2d.13e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*MN6S-PDS(9/51/51)             (711/411/3111)
 13.000000         2

    9    1
   3370.012980
   512.7897520
   116.5618020
   11.54500630
   4.362818170
   2.169642250
   .7725789610
   .9676901190E-01
   .3593394750E-01
  -.001330777720
  -.008993184640
  -.027267658500
   .115996772000
   .094578933300
  -.191167382000
  -.337719055000
   .667064396000
   .465711281000
    6    2
   255.6805840
   59.33611800
   17.78129810
   2.123474750
   .7054797010
   .9200000000E-01
  -.017374892700   .000000000000
  -.104439830000   .000000000000
  -.244780358000   .000000000000
   .619128997000   .000000000000
   .474088401000   .000000000000
   .000000000000  1.000000000000
    6    2
   35.11198950
   9.704003530
   3.246697340
   1.096286110
   .3358276160
   .1054000000
   .027390732500   .000000000000
   .145116074000   .000000000000
   .365224627000   .000000000000
   .481261766000   .000000000000
   .312222848000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: MN6S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   282000.0000
   34960.00000
   7206.000000
   1858.000000
   563.6000000
   177.4000000
   53.85000000
   22.19100000
   4.509000000
   1.919000000

   .013407474615
   .019035911538
   .036365075385
   .066365093846
   .100566253846
   .106652830769
   .217501792308
   .226721538462
   .086916523077
   .049544426154
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  481.067560      58.2187960      7.63307380
   1788558.000
   277988.1100
   63945.15500
   17709.52800
   5588.895700
   1941.198500
   746.1880500
   304.0710000
   129.3980500
   56.23821800
   24.46627900
   10.81825700
   4.788077800
   2.095180900
   .9081103500
   .3787268000
   .1494154800
   .6913040800E-01
   .3347265300E-01
   .1598442500E-01
   .000023310440  -.000007029096   .000002585704
   .000171475070  -.000051740000   .000018997506
   .000919041890  -.000277369330   .000102122430
   .003999817100  -.001211457400   .000444692260
   .015269534000  -.004659419200   .001718945800
   .048895886000  -.015281578000   .005624386200
   .130133520000  -.042893794000   .015989534000
   .277777010000  -.103916610000   .038989324000
   .392175140000  -.191689000000   .075300658000
   .248488590000  -.183427560000   .074804378000
   .030585147000   .194637340000  -.088213946000
   .002572691400   .660953810000  -.457067710000
  -.001439902100   .317239730000  -.306058330000
   .000954149470   .006399283000   .555426100000
  -.000650455580   .008213344100   .660362820000
   .000376745250  -.003782737700   .113357510000
  -.000261182410   .002701592300  -.005672373900
   .000193952230  -.002007413000   .003125434600
  -.000102152940   .001059609900  -.001341246100
   .000027885826  -.000289772880   .000330398430
   12    1
  49.6250480
   5588.895700
   1941.198500
   746.1880500
   304.0710000
   129.3980500
   56.23821800
   24.46627900
   10.81825700
   4.788077800
   2.095180900
   .9081103500
   .3787268000
   .000213307390
   .000926356260
   .004624823100
   .018794348000
   .065624657000
   .188259820000
   .375018450000
   .395011320000
   .137418800000
   .005963118800
   .001877731300
  -.000276582020
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Fe.ECP.Seijo.9s6p6d.1s2p2d.14e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*FE5D-PDS(9/51/51)             (711/411/3111)
 14.000000         2

    9    1
   3672.192280
   558.1260350
   126.7746470
   12.49116540
   4.479527220
   2.386379700
   .8429015820
   .1055449050
   .3861890880E-01
  -.001317225220
  -.008933842320
  -.027237931500
   .119139593000
   .098668750500
  -.203402151000
  -.326834085000
   .653929933000
   .477808826000
    6    2
   280.8713750
   65.28202640
   19.63689660
   2.359278490
   .7828634430
   .9800000000E-01
  -.017386514200   .000000000000
  -.105071540000   .000000000000
  -.247511781000   .000000000000
   .621218466000   .000000000000
   .472185565000   .000000000000
   .000000000000  1.000000000000
    6    2
   38.66442800
   10.72407110
   3.590978760
   1.205600710
   .3634177370
   .1133000000
   .028251231200   .000000000000
   .149786433000   .000000000000
   .370286462000   .000000000000
   .477119445000   .000000000000
   .311812508000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: FE5D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   290000.0000
   36740.00000
   7670.000000
   1995.000000
   609.3000000
   192.8000000
   58.76000000
   24.31100000
   4.933000000
   2.105400000

   .012749141143
   .017829232357
   .033953654571
   .061707617571
   .093245852143
   .099047693571
   .202385014286
   .209770854286
   .081186667857
   .045267129286
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  522.746120      63.8705680      8.33836520
   1758042.500
   283494.0400
   67516.25800
   19789.16200
   6363.988200
   2234.012900
   848.6302800
   341.7898400
   143.2663100
   61.41638200
   26.43123200
   11.56938700
   5.028023600
   2.202139100
   .9550944100
   .4089127700
   .1664410200
   .7904924900E-01
   .3535587700E-01
   .1048092100E-01
   .000025704271  -.000007793675   .000002889373
   .000183128180  -.000055575566   .000020556036
   .000902036090  -.000273706870   .000101594190
   .003746643500  -.001141333500   .000421920640
   .014118055000  -.004328490300   .001609860500
   .045653740000  -.014325160000   .005309101600
   .125456950000  -.041408737000   .015555932000
   .274093230000  -.102459810000   .038699141000
   .399161970000  -.194453440000   .076990158000
   .254490020000  -.188849100000   .077613984000
   .030553261000   .204982490000  -.094280950000
   .002455557000   .675890870000  -.480849150000
  -.001456561100   .299287260000  -.277121600000
   .000995409360  -.000053308209   .604102590000
  -.000697018820   .009873977500   .622557780000
   .000418227320  -.004853947500   .097340116000
  -.000273768600   .003208554300  -.002269143300
   .000168027110  -.001962939300   .000958205830
  -.000061119765   .000714504630  -.000212135770
   .000010764058  -.000126013490   .000025504090
   12    1
  54.8269860
   6363.988200
   2234.012900
   848.6302800
   341.7898400
   143.2663100
   61.41638200
   26.43123200
   11.56938700
   5.028023600
   2.202139100
   .9550944100
   .4089127700
   .000194888510
   .000847409310
   .004354255100
   .018199191000
   .065556087000
   .191710920000
   .384063960000
   .395641760000
   .126837810000
   .003300884200
   .002299243300
  -.000393232620
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Co.ECP.Seijo.9s6p6d.1s2p2d.15e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*CO4F-PDS(9/51/51)             (711/411/3111)
 15.000000         2

    9    1
   3942.949760
   600.4418420
   137.0046750
   13.55746970
   4.783482660
   2.537418890
   .8976469310
   .1166425300
   .4211979460E-01
  -.001317259170
  -.008901902840
  -.027067343600
   .119819652000
   .094441418300
  -.209739244000
  -.313476020000
   .623088078000
   .509604793000
    6    2
   307.2864220
   71.50212950
   21.57681110
   2.606004730
   .8631941920
   .1050000000
  -.017373603000   .000000000000
  -.105556458000   .000000000000
  -.249758953000   .000000000000
   .622370398000   .000000000000
   .471312640000   .000000000000
   .000000000000  1.000000000000
    6    2
   42.85861530
   11.93667260
   4.005020190
   1.340956260
   .4000447780
   .1219000000
   .028504488900   .000000000000
   .151786101000   .000000000000
   .372547007000   .000000000000
   .475004279000   .000000000000
   .312462420000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: CO4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   298000.0000
   38600.00000
   8167.000000
   2142.000000
   657.7000000
   209.0000000
   63.94000000
   26.55400000
   5.388000000
   2.300200000

   .012167700733
   .016745991533
   .031789656133
   .057613691267
   .086955062000
   .092460286000
   .188994688667
   .195361292000
   .076032468667
   .041879162467
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  566.130760      69.7366960      9.04844300
   2217759.300
   325957.7200
   73680.66500
   20953.45900
   6601.205800
   2320.278900
   887.1036200
   360.4352400
   152.3723600
   65.53223500
   28.36507600
   12.51341500
   5.473413600
   2.382091000
   1.022820600
   .4275201200
   .1635034500
   .7960769700E-01
   .4157726300E-01
   .1935385900E-01
   .000021973079  -.000006697153   .000002497640
   .000177106430  -.000054011644   .000020103966
   .000912256990  -.000278292140   .000103894850
   .003931823000  -.001203600000   .000447804570
   .014919547000  -.004601491400   .001721463100
   .047456828000  -.014982406000   .005588908700
   .128701170000  -.042846468000   .016198713000
   .275919510000  -.104186080000   .039637669000
   .397085150000  -.196158650000   .078248251000
   .250307790000  -.186972170000   .077626949000
   .028533786000   .213183910000  -.099944952000
   .002896349200   .673528740000  -.486272240000
  -.001724316900   .294870590000  -.267199450000
   .001123138300   .001318152300   .619003700000
  -.000750888210   .008804414300   .616880010000
   .000444373420  -.004224947800   .085343748000
  -.000335163680   .003236214800  -.001459391600
   .000282283310  -.002721388200   .000229435290
  -.000148561610   .001433749600   .000175095220
   .000034967230  -.000337941570  -.000078856885
   12    1
  60.2404080
   6601.205800
   2320.278900
   887.1036200
   360.4352400
   152.3723600
   65.53223500
   28.36507600
   12.51341500
   5.473413600
   2.382091000
   1.022820600
   .4275201200
   .000211565290
   .000906276030
   .004614336800
   .018839165000
   .067387870000
   .195633450000
   .385488530000
   .389964770000
   .123508560000
   .003538893200
   .002119522500
  -.000324112230
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ni.ECP.Seijo.9s6p6d.1s2p2d.16e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*NI3F-PDS(9/51/51)             (711/411/3111)
 16.000000         2

    9    1
   4285.323290
   651.9116660
   148.4310420
   14.61565810
   5.084914950
   2.695829830
   .9637774780
   .1247067220
   .4440127210E-01
  -.001291434550
  -.008765641940
  -.026885866400
   .120663572000
   .088548487800
  -.211511413000
  -.300423481000
   .616312812000
   .514892857000
    6    2
   335.2111400
   78.05211610
   23.61618700
   2.862374010
   .9462498720
   .1110000000
  -.017329090100   .000000000000
  -.105886106000   .000000000000
  -.251733492000   .000000000000
   .623521318000   .000000000000
   .470407510000   .000000000000
   .000000000000  1.000000000000
    6    2
   47.29662940
   13.20797580
   4.435978690
   1.482292030
   .4385855920
   .1316000000
   .028692884000   .000000000000
   .153696374000   .000000000000
   .374873996000   .000000000000
   .473227536000   .000000000000
   .312182257000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: NI3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   305000.0000
   40270.00000
   8617.000000
   2278.000000
   703.4000000
   224.0000000
   68.83000000
   28.74800000
   5.832000000
   2.495300000

   .011676867000
   .015852444625
   .030017494875
   .054198340313
   .081578851875
   .086922205625
   .178259995000
   .181276731250
   .071603198750
   .038613871125
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  611.237760      75.8355780      9.77532340
   2281984.000
   353233.4000
   80880.94000
   22646.37400
   7171.157800
   2505.877300
   959.4006100
   392.0025000
   165.5097100
   71.36613900
   30.92746200
   13.55775000
   5.862804500
   2.562344500
   1.110117900
   .4682261600
   .1813505000
   .8783760000E-01
   .4312231300E-01
   .1103310100E-01
   .000022780111  -.000006974217   .000002614764
   .000170909780  -.000052382687   .000019594429
   .000902033640  -.000276343740   .000103719770
   .003908915100  -.001202795100   .000449712030
   .014746534000  -.004566292100   .001717657700
   .047526671000  -.015085998000   .005654898900
   .127060950000  -.042451650000   .016142795000
   .273476230000  -.103739660000   .039650858000
   .397480360000  -.196349490000   .078822303000
   .252138800000  -.189737750000   .079082701000
   .030874856000   .210877780000  -.099324250000
   .002083682100   .682149160000  -.498121680000
  -.001207992100   .291410990000  -.256291220000
   .000815053730  -.001791084600   .629896400000
  -.000564270870   .009894519000   .600928820000
   .000325489420  -.004685958200   .089701178000
  -.000221821180   .003216149900  -.003901234500
   .000153472880  -.002217003600   .002228735700
  -.000058168384   .000840489770  -.000713944820
   .000007778937  -.000112548080   .000085279585
   12    1
  65.8834300
   7171.157800
   2505.877300
   959.4006100
   392.0025000
   165.5097100
   71.36613900
   30.92746200
   13.55775000
   5.862804500
   2.562344500
   1.110117900
   .4682261600
   .000210056550
   .000915225260
   .004579717800
   .018695210000
   .067273016000
   .194406090000
   .387621080000
   .393162830000
   .119786440000
   .002638554400
   .002295789800
  -.000343731360
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cu.ECP.Seijo.9s6p6d.1s2p2d.17e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*CU2D-PDS(9/51/51)             (711/411/3111)
 17.000000         2

    9    1
   4662.709790
   708.5349800
   160.9473770
   15.55696470
   5.330504780
   2.747332130
   1.019555380
   .1334402710
   .4684273050E-01
  -.001327817200
  -.009053604170
  -.028084689400
   .129881861000
   .076352627200
  -.221244487000
  -.287641020000
   .607897810000
   .522235246000
    6    2
   364.1653480
   84.86264360
   25.73860460
   3.128249650
   1.031436330
   .1170000000
  -.017276292000   .000000000000
  -.106086369000   .000000000000
  -.253246636000   .000000000000
   .623864769000   .000000000000
   .470406908000   .000000000000
   .000000000000  1.000000000000
    6    2
   51.49721080
   14.43077860
   4.859723870
   1.624918660
   .4793484220
   .1491000000
   .029389318600   .000000000000
   .157235288000   .000000000000
   .378759980000   .000000000000
   .470463366000   .000000000000
   .308257758000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: CU2S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   311000.0000
   41720.00000
   8996.000000
   2399.000000
   745.4000000
   237.7000000
   73.49000000
   30.85100000
   6.210000000
   2.624600000

   .011258632353
   .015129228824
   .028591405294
   .051314552941
   .076907188235
   .082093329412
   .169433594118
   .167994705882
   .068155888235
   .035003827647
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  657.585420      81.6376640      10.0233120
   2758564.600
   389207.3900
   85910.82500
   22599.69100
   6902.640900
   2387.224900
   905.0764700
   368.3118900
   156.7807700
   67.11873400
   29.08702600
   12.85846200
   5.580686100
   2.402589600
   1.026522400
   .4254534900
   .1540051600
   .7787394900E-01
   .4043392700E-01
   .1836921700E-01
   .000020650977  -.000006351784   .000002377370
   .000169285270  -.000052080930   .000019461722
   .000951423460  -.000292942760   .000109729660
   .004472450500  -.001381361500   .000516145020
   .017127949000  -.005339769100   .002004537300
   .054997197000  -.017588190000   .006593197700
   .146761900000  -.049935896000   .018970961000
   .299248610000  -.117216920000   .044973831000
   .396202930000  -.209175700000   .084432082000
   .213675390000  -.162327600000   .068781266000
   .013076497000   .317442650000  -.159930380000
   .004565875900   .669699290000  -.529281380000
  -.002808382000   .208056770000  -.110134430000
   .001726358400  -.001253907100   .710548950000
  -.001080910500   .005376660300   .500626350000
   .000620066990  -.002188000500   .051530306000
  -.000483681950   .001701936700   .000190183070
   .000425487930  -.001479450300  -.000248696100
  -.000214214660   .000740407440   .000401981410
   .000048817629  -.000168828740  -.000074835711
   12    1
  71.2356940
   6902.640900
   2387.224900
   905.0764700
   368.3118900
   156.7807700
   67.11873400
   29.08702600
   12.85846200
   5.580686100
   2.402589600
   1.026522400
   .4254534900
   .000259466890
   .001132917800
   .005851213800
   .022976631000
   .081323620000
   .227629700000
   .411810550000
   .353153640000
   .083592744000
   .001771752000
   .001359922900
  -.000069575313
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Zn.ECP.Seijo.9s6p5d.1s2p1d.18e-NR-AIMP.
L.Seijo, Z.Barandiaran, and S. Huzinaga, J.Chem.Phys. 91(1989)7011
core[Mg] val[3p,4s,3d]     (711/411*/311)=3s3p3d recomended
*ZN1S-PDS(9/51/5)              (711/411/311)
 18.000000         2

    9    1
   4956.874930
   753.2474380
   171.3284690
   17.13669160
   5.974941200
   3.115234640
   1.118799440
   .1401667080
   .4874453800E-01
  -.001257107060
  -.008571763730
  -.026454683200
   .117542440000
   .082446383500
  -.205922049000
  -.283735674000
   .604208016000
   .523055209000
    6    2
   394.0702590
   91.91471250
   27.94936340
   3.407980590
   1.121932450
   .1230000000
  -.017261757000   .000000000000
  -.106415053000   .000000000000
  -.254882552000   .000000000000
   .624979943000   .000000000000
   .469492703000   .000000000000
   .000000000000  1.000000000000
    5    1
   56.38693530
   15.84173180
   5.338013740
   1.780914310
   .5214730160
   .029313008800
   .157688007000
   .379305171000
   .469754335000
   .309857305000
*
* Core AIMP: ZN1S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   318000.0000
   43530.00000
   9547.000000
   2571.000000
   803.3000000
   257.7000000
   79.97000000
   33.64000000
   6.817000000
   2.912800000

   .010860998000
   .014349541111
   .026941044500
   .048281912333
   .072411745556
   .077238217778
   .158621895556
   .160183530556
   .064027056667
   .033750724556
M2
    0
COREREP
   1.0
PROJOP
    1
   20    3
  706.608680      88.7232460      11.2751790
   3354047.900
   469972.8100
   103359.3000
   27314.72500
   8330.265100
   2868.163000
   1091.910300
   447.9414900
   191.6860700
   83.42296300
   36.27273000
   16.06684700
   7.103921400
   3.109696400
   1.339096900
   .5587760300
   .2153670100
   .1030020700
   .5597850100E-01
   .2561325200E-01
   .000017645399  -.000005447158   .000002058167
   .000146405580  -.000045240100   .000017067641
   .000820737680  -.000253519490   .000095861784
   .003838909200  -.001190702900   .000449160860
   .014866553000  -.004641866500   .001758684200
   .048153794000  -.015415685000   .005832032400
   .128730240000  -.043431286000   .016635317000
   .271490550000  -.104111410000   .040204471000
   .391616290000  -.194939680000   .078814881000
   .255499850000  -.192792540000   .081624707000
   .032927849000   .203189050000  -.098203802000
   .002019224000   .674389260000  -.492942530000
  -.001213149900   .301421690000  -.270631130000
   .000813504210   .005597435100   .603906140000
  -.000558016330   .007422786500   .623728660000
   .000329924720  -.003348825000   .096505329000
  -.000248389870   .002584590900  -.002537849000
   .000215991100  -.002239023600   .001293145400
  -.000118084100   .001224683000  -.000391599330
   .000025819577  -.000268092470   .000044635492
   12    1
  77.8495400
   8330.265100
   2868.163000
   1091.910300
   447.9414900
   191.6860700
   83.42296300
   36.27273000
   16.06684700
   7.103921400
   3.109696400
   1.339096900
   .5587760300
   .000210375900
   .000951280550
   .004728206600
   .019021475000
   .066682242000
   .193971210000
   .386810680000
   .388457440000
   .122705030000
   .004904924200
   .001876648100
  -.000164019720
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         C.2.2.2. Second Series Transition Metal Elements
********************************************************************************
*
* - d diffuse functions for  (4d,5s)n  configurations from
*   S.P.Walch, Ch.W.Bauschlicher, Jr., and C.J.Nelin, J.Chem.Phys. 79(1983)3600.
*
********************************************************************************
*
/Y.ECP.Barandiaran.11s8p7d.1s2p2d.9e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*Y2D-PDS(A1/71/61)             (911/611/4111)
  9.000000         2

   11    1
   8613.436870
   1298.952520
   294.0348590
   32.27883040
   16.70204600
   5.427277160
   2.772295750
   .8816165640
   .3904355280
   .5895433030E-01
   .2393430390E-01
   .000673463002
   .004687486030
   .014831123900
  -.056600738200
  -.036456479500
   .104464689000
   .178177438000
  -.198249523000
  -.452315814000
   .747949652000
   .422460553000
    8    2
   715.7478130
   167.9554770
   52.20901820
   8.180702220
   4.276300060
   .8102067470
   .2963650370
   .5600000000E-01
   .006223469320   .000000000000
   .039689004000   .000000000000
   .097844117100   .000000000000
  -.191715618000   .000000000000
  -.237649742000   .000000000000
   .665510965000   .000000000000
   .451596203000   .000000000000
   .000000000000  1.000000000000
    7    2
   79.73801910
   22.32980310
   7.288030270
   .8703967380
   .2970146990
   .9339695360E-01
   .3160000000E-01
  -.014015454500   .000000000000
  -.067866146500   .000000000000
  -.118495092000   .000000000000
   .323655845000   .000000000000
   .531259116000   .000000000000
   .364248754000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: Y2D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   284600.0000
   35480.00000
   7348.000000
   1931.000000
   575.2000000
   169.8000000
   67.56000000
   17.55000000
   7.978000000
   2.403000000
   .9508000000

   .040453402222
   .057682698889
   .110520674444
   .187885566667
   .236108788889
   .417724733333
   .514056733333
   .611350822222
   .875087600000
   .189707533333
   .092754781111
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1233.49800      171.621580      29.5173040      4.33728180
   11168391.00
   1739037.900
   424231.0700
   116314.4800
   34965.39500
   11195.11000
   3900.180000
   1484.677000
   607.6049200
   261.8689500
   116.3771400
   52.46526500
   24.00039400
   10.84120800
   4.956001100
   2.283800100
   1.039670000
   .4619516900
   .1906935800
   .6805543000E-01
   .3934845800E-01
   .2591013500E-01
   .000007345446  -.000002329179   .000000959482  -.000000353171
   .000051041645  -.000016173803   .000006665083  -.000002450860
   .000259492980  -.000082341633   .000033916571  -.000012489488
   .001204174900  -.000382040270   .000157476830  -.000057895609
   .005074890900  -.001617870100   .000666772900  -.000245588260
   .019310993000  -.006212429700   .002565609500  -.000943392760
   .061985118000  -.020556821000   .008515133600  -.003140070600
   .161700960000  -.057395667000   .024020959000  -.008847065200
   .317825180000  -.132460980000   .056574881000  -.020995596000
   .383034150000  -.218718150000   .098071093000  -.036457065000
   .183902310000  -.140985710000   .068694236000  -.026486572000
   .012706551000   .353334050000  -.212987760000   .084945772000
   .002465715300   .649643760000  -.587619170000   .245075940000
  -.001618311500   .193462480000  -.086548516000   .043488550000
   .001045166000   .002747820900   .814222660000  -.514829410000
  -.000717933330   .002655662300   .452458110000  -.544368290000
   .000435695220  -.001039922000   .010695111000   .497120430000
  -.000240209400   .000375680240   .009019871500   .797348940000
   .000130760990  -.000209572100  -.003916083600   .128888010000
  -.000119397240   .000178990760   .003714258200  -.011316584000
   .000116515560  -.000172826640  -.003635634500   .008630503400
  -.000045310392   .000066887484   .001417131600  -.002912886900
   14    2
  156.328550      23.7078420
   11195.11000
   3900.180000
   1484.677000
   607.6049200
   261.8689500
   116.3771400
   52.46526500
   24.00039400
   10.84120800
   4.956001100
   2.283800100
   1.039670000
   .4619516900
   .1906935800
   .000330454920  -.000139747560
   .001443608300  -.000606681120
   .007273778000  -.003102752100
   .028541227000  -.012250534000
   .094920419000  -.042261297000
   .244147470000  -.113521250000
   .412361330000  -.207817080000
   .322460680000  -.118637490000
   .071022596000   .311644860000
   .002042034800   .572877640000
   .000641807710   .251764640000
  -.000134719900   .015394810000
   .000032990651   .002238054200
  -.000008725567  -.000520323770
   12    1
  13.1984650
   607.6049200
   261.8689500
   116.3771400
   52.46526500
   24.00039400
   10.84120800
   4.956001100
   2.283800100
   1.039670000
   .4619516900
   .1906935800
   .6805543000E-01
   .000902003230
   .003576141000
   .019116785000
   .068452914000
   .197081730000
   .358953450000
   .380870460000
   .202143860000
   .035336278000
   .002166694400
  -.000145026930
   .000091617149
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Zr.ECP.Barandiaran.11s8p7d.1s2p2d.10e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*ZR5F-PDS(A1/71/61)            (911/611/4111)
 10.000000         2

   11    1
   8822.809690
   1338.989070
   306.3633460
   34.60958260
   17.06310460
   6.878240890
   3.099084840
   1.072051280
   .4331260890
   .6118775300E-01
   .2509277570E-01
   .000672087008
   .004615120620
   .014342526700
  -.053396884900
  -.043244704600
   .080222057100
   .209762634000
  -.186596283000
  -.443652709000
   .747109699000
   .412625887000
    8    2
   754.9688500
   177.4264130
   55.29982890
   8.811325190
   4.713820790
   .8950437140
   .3221545380
   .5900000000E-01
   .006451335250   .000000000000
   .041129654600   .000000000000
   .101380923000   .000000000000
  -.192106369000   .000000000000
  -.247698514000   .000000000000
   .676497848000   .000000000000
   .443820498000   .000000000000
   .000000000000  1.000000000000
    7    2
   86.34273070
   24.37606530
   8.057342070
   .9821040810
   .3293213590
   .9978967120E-01
   .3820000000E-01
  -.014133920800   .000000000000
  -.068721104900   .000000000000
  -.121296896000   .000000000000
   .333321605000   .000000000000
   .522521077000   .000000000000
   .375682629000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: ZR5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   300400.0000
   39020.00000
   8265.000000
   2194.000000
   662.2000000
   195.4000000
   76.56000000
   20.32000000
   9.077000000
   2.816000000
   1.068800000

   .036157835000
   .050056986000
   .095433679000
   .163383420000
   .208873520000
   .352808850000
   .486374600000
   .495624190000
   .843273500000
   .178069420000
   .089943999000
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1301.18760      182.521330      31.8749940      4.61265540
   10310803.00
   1685663.200
   418537.4200
   116101.6400
   34570.13700
   11081.48100
   3834.957200
   1455.020400
   592.7976000
   254.6502400
   112.5109000
   50.47659400
   22.96689400
   10.33329800
   4.702483600
   2.129412600
   .9822807500
   .4357029300
   .1829822400
   .6990593600E-01
   .3792431300E-01
   .2532578000E-01
   .000008406643  -.000002671343   .000001109008  -.000000416893
   .000055999100  -.000017787796   .000007384915  -.000002770934
   .000275197450  -.000087502052   .000036328028  -.000013666812
   .001297492100  -.000412710780   .000171378410  -.000064283176
   .005478619700  -.001750552200   .000727239000  -.000273664270
   .020878532000  -.006740587200   .002804576400  -.001052081700
   .067340008000  -.022444377000   .009376377700  -.003533706300
   .174025430000  -.062464999000   .026361970000  -.009903066000
   .334487460000  -.142571080000   .061605761000  -.023399658000
   .377615120000  -.225499500000   .102470740000  -.038819451000
   .158844630000  -.110785980000   .055518685000  -.022416246000
   .006485309500   .429567200000  -.272921780000   .112855710000
   .002786176800   .622159970000  -.599992030000   .256544570000
  -.001814858900   .138633690000   .060095403000  -.020091989000
   .001143166100   .004479413100   .871125740000  -.632964320000
  -.000779418650  -.000878478780   .334475700000  -.419157870000
   .000491665890   .000977444020  -.004724602100   .703087020000
  -.000277276520  -.000764742340   .008917183800   .659300490000
   .000158482290   .000443595890  -.003875593600   .074305458000
  -.000130774810  -.000381181110   .003147904000  -.002896773900
   .000121324250   .000354584340  -.002915394700  -.001133728300
  -.000050685255  -.000149789400   .001204294100  -.001008326600
   14    2
  166.725280      25.8065760
   11081.48100
   3834.957200
   1455.020400
   592.7976000
   254.6502400
   112.5109000
   50.47659400
   22.96689400
   10.33329800
   4.702483600
   2.129412600
   .9822807500
   .4357029300
   .1829822400
   .000370636850  -.000158345760
   .001635534200  -.000694531770
   .008267139300  -.003565085700
   .032396458000  -.014076395000
   .106804050000  -.048252713000
   .268210270000  -.126983570000
   .424499850000  -.217808740000
   .290474260000  -.079939895000
   .049919441000   .385669480000
   .002106554500   .565550700000
  -.000254572420   .183962220000
   .000279189210   .003956486600
  -.000156393390   .002524390100
   .000042170635  -.000522419030
   12    1
  14.8015920
   592.7976000
   254.6502400
   112.5109000
   50.47659400
   22.96689400
   10.33329800
   4.702483600
   2.129412600
   .9822807500
   .4357029300
   .1829822400
   .6990593600E-01
   .001088026500
   .004416483900
   .023103318000
   .081906924000
   .225231180000
   .383136690000
   .368785860000
   .157559720000
   .016237199000
   .002677447300
  -.000727037540
   .000274787630
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Nb.ECP.Barandiaran.11s8p7d.1s2p2d.11e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*NB6D-PDS(A1/71/61)            (911/611/4111)
 11.000000         2

   11    1
   9686.866400
   1454.993740
   327.4890690
   42.19299030
   26.39027210
   8.279048900
   4.062023890
   .9576169690
   .4711001380
   .6743081010E-01
   .2696352570E-01
   .000657843576
   .004622626570
   .014841074800
  -.024303094400
  -.062286100200
   .021738186900
   .233436931000
  -.207158330000
  -.391726583000
   .744196770000
   .413657508000
    8    2
   800.9233420
   188.1626750
   58.67837840
   9.347510310
   5.087847390
   .9916197680
   .3581108140
   .6500000000E-01
   .006633020720   .000000000000
   .042496800600   .000000000000
   .105382801000   .000000000000
  -.201473524000   .000000000000
  -.252015527000   .000000000000
   .684956434000   .000000000000
   .437758939000   .000000000000
   .000000000000  1.000000000000
    7    2
   93.86140260
   26.58236900
   8.855270740
   1.127174360
   .3900049010
   .1208646110
   .3310000000E-01
  -.015180615900   .000000000000
  -.074865366700   .000000000000
  -.133651540000   .000000000000
   .352387035000   .000000000000
   .523159388000   .000000000000
   .345264667000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: NB6D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   304100.0000
   39720.00000
   8482.000000
   2265.000000
   685.2000000
   203.8000000
   80.80000000
   21.71000000
   9.796000000
   3.029000000
   1.174300000

   .033595083636
   .046305946364
   .087772973636
   .149802036364
   .190888227273
   .322222636364
   .438802227273
   .448209290909
   .769594781818
   .159543454545
   .080536070000
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1370.88700      193.949070      34.4933240      5.07418450
   11823269.00
   1978107.500
   451145.6500
   125140.8000
   37477.30500
   12048.02700
   4196.119700
   1592.379800
   649.3717000
   279.2768200
   123.7923300
   55.73269500
   25.45224000
   11.49573100
   5.255527100
   2.395981100
   1.119503100
   .4939129600
   .2029423500
   .7702735400E-01
   .4057574200E-01
   .2519091100E-01
   .000007237351  -.000002304899   .000000963849  -.000000370413
   .000051371392  -.000016350973   .000006839113  -.000002623909
   .000274419240  -.000087451499   .000036569105  -.000014062251
   .001243317500  -.000396239590   .000165776190  -.000063576429
   .005272322300  -.001688287100   .000706403630  -.000271735680
   .019902320000  -.006434427500   .002697262500  -.001034519000
   .064125091000  -.021385768000   .008996080400  -.003465651900
   .167346140000  -.059903044000   .025461583000  -.009780068900
   .325899320000  -.137759650000   .059861403000  -.023236406000
   .381247850000  -.223167420000   .101957510000  -.039508232000
   .172007580000  -.127754310000   .063894774000  -.026153490000
   .009448048700   .392885580000  -.247072500000   .104317690000
   .002630759600   .638230270000  -.606126320000   .265143950000
  -.001738502900   .164324930000  -.008318545500   .013294515000
   .001109394400   .003385999200   .870006080000  -.635203610000
  -.000765587000   .000638258760   .374978800000  -.475915390000
   .000474298980   .000043404880  -.003254675500   .692166570000
  -.000253157390  -.000233980780   .009922462500   .688431380000
   .000138599290   .000130741590  -.004198372200   .081316412000
  -.000107193800  -.000114739390   .003244496800  -.005219336200
   .000089354395   .000094110846  -.002710792100  -.000268231070
  -.000034155254  -.000038042910   .001025929400  -.001492682600
   14    2
  177.645580      28.1620230
   12048.02700
   4196.119700
   1592.379800
   649.3717000
   279.2768200
   123.7923300
   55.73269500
   25.45224000
   11.49573100
   5.255527100
   2.395981100
   1.119503100
   .4939129600
   .2029423500
   .000349192720  -.000150557370
   .001528103400  -.000655267810
   .007755930400  -.003374421000
   .030482738000  -.013364765000
   .101083470000  -.046018076000
   .256917250000  -.122526950000
   .419574330000  -.216886620000
   .305514160000  -.099473444000
   .058861037000   .360864100000
   .001960456600   .577011180000
   .000060727423   .201458560000
   .000104077520   .005470444400
  -.000084245295   .002792768600
   .000019569195  -.000535514150
   12    1
  16.6578160
   649.3717000
   279.2768200
   123.7923300
   55.73269500
   25.45224000
   11.49573100
   5.255527100
   2.395981100
   1.119503100
   .4939129600
   .2029423500
   .7702735400E-01
   .001028470000
   .004151452100
   .021878874000
   .078142970000
   .218707810000
   .380708850000
   .374030550000
   .161503640000
   .016936276000
   .002752765800
  -.000711680560
   .000268296760
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Mo.ECP.Barandiaran.11s8p7d.1s2p2d.12e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*MO7S-PDS(A1/71/61)            (911/611/4111)
 12.000000         2

   11    1
   10363.20270
   1548.739280
   346.8750430
   37.74966130
   20.44967310
   6.363375770
   3.341763800
   1.259192440
   .5344075060
   .7433819010E-01
   .2928094120E-01
   .000655109503
   .004648673400
   .015097533300
  -.057699757900
  -.036227193500
   .117647207000
   .179985237000
  -.205186071000
  -.421431565000
   .715383690000
   .440607640000
    8    2
   844.8636770
   198.6211530
   62.04985620
   9.945663510
   5.507287860
   1.089145720
   .3940611470
   .7000000000E-01
   .006826548490   .000000000000
   .043807519500   .000000000000
   .108875175000   .000000000000
  -.206956370000   .000000000000
  -.257720660000   .000000000000
   .691984202000   .000000000000
   .432513019000   .000000000000
   .000000000000  1.000000000000
    7    2
   101.9209190
   28.92654090
   9.693886570
   1.275515260
   .4521341390
   .1431257270
   .4320000000E-01
  -.015851836300   .000000000000
  -.079436304600   .000000000000
  -.143699282000   .000000000000
   .366965366000   .000000000000
   .522538344000   .000000000000
   .321824095000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: MO7S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   303200.0000
   39530.00000
   8409.000000
   2248.000000
   678.5000000
   202.6000000
   81.22000000
   21.45000000
   10.01100000
   2.953000000
   1.231900000

   .031744857500
   .043912395000
   .083368666667
   .141018775000
   .177620050000
   .311255533333
   .390198958333
   .458177641667
   .661275358333
   .137254858333
   .064172906667
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1442.40320      205.700440      37.1680020      5.52459520
   13866572.00
   2154844.800
   525630.4900
   143732.8300
   43256.91700
   13846.17800
   4821.387000
   1833.593800
   747.7826100
   321.3748700
   142.1629800
   63.81841200
   29.15904300
   13.15284500
   5.979689200
   2.799670200
   1.256281900
   .5525018100
   .2333456700
   .9271792100E-01
   .4923208400E-01
   .2851633600E-01
   .000006764049  -.000002158515   .000000908637  -.000000355585
   .000046980509  -.000014983458   .000006313608  -.000002467361
   .000239697960  -.000076540724   .000032208841  -.000012611815
   .001113818800  -.000355645600   .000149918040  -.000058572016
   .004683912400  -.001502249700   .000632444530  -.000247710600
   .017893192000  -.005788802900   .002444860500  -.000955312540
   .057630740000  -.019185449000   .008115041900  -.003182627900
   .152541690000  -.054168574000   .023181740000  -.009071823400
   .307448900000  -.127187300000   .055384570000  -.021869422000
   .387721230000  -.217385650000   .099625348000  -.039347892000
   .201605220000  -.158116440000   .077947668000  -.032055641000
   .015728674000   .326745160000  -.198984980000   .085090181000
   .002827503100   .660764440000  -.608391780000   .270749850000
  -.001933418100   .212330670000  -.112164790000   .063820145000
   .001300249400   .001325898800   .848641970000  -.608983550000
  -.000891601560   .003766333800   .434055460000  -.539595180000
   .000532742100  -.001785187900   .014180141000   .657708570000
  -.000307314010   .000823623200   .005573825700   .717299670000
   .000180854060  -.000486748190  -.002173962500   .081964832000
  -.000136666100   .000355691250   .001711709800   .003758651700
   .000101201480  -.000266841580  -.001272038500  -.007181559300
  -.000033869985   .000086148424   .000416920430   .000329257790
   14    2
  188.887350      30.5720300
   13846.17800
   4821.387000
   1833.593800
   747.7826100
   321.3748700
   142.1629800
   63.81841200
   29.15904300
   13.15284500
   5.979689200
   2.799670200
   1.256281900
   .5525018100
   .2333456700
   .000299723930  -.000130039390
   .001310205100  -.000568503100
   .006661893900  -.002914496200
   .026492841000  -.011722856000
   .089627587000  -.040917879000
   .237157240000  -.113677690000
   .411373020000  -.212782140000
   .332075410000  -.132208440000
   .076571261000   .320666540000
   .001486658100   .589822500000
   .000877999910   .228218060000
  -.000323720930   .015758732000
   .000099199634   .000284541640
  -.000034594413   .000172601790
   12    1
  18.5674670
   747.7826100
   321.3748700
   142.1629800
   63.81841200
   29.15904300
   13.15284500
   5.979689200
   2.799670200
   1.256281900
   .5525018100
   .2333456700
   .9271792100E-01
   .000867278750
   .003544248300
   .019166482000
   .070705101000
   .204345580000
   .377872510000
   .382890680000
   .170659680000
   .025298589000
  -.000313571470
   .000474522010
  -.000143875490
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Tc.ECP.Barandiaran.11s8p7d.1s2p2d.13e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*TC6S-PDS(A1/71/61)            (911/611/4111)
 13.000000         2

   11    1
   10579.02260
   1592.852340
   360.4337920
   41.92061410
   25.02728180
   6.351877850
   3.356142470
   1.353300370
   .5709945540
   .8506484260E-01
   .3270888370E-01
   .000720668745
   .005040863860
   .016111194200
  -.048624174600
  -.049199662700
   .147703322000
   .171543894000
  -.235746438000
  -.420377628000
   .678750862000
   .484010406000
    8    2
   891.6159010
   209.7876860
   65.60465290
   10.50088520
   5.881997130
   1.200668720
   .4455478910
   .7600000000E-01
   .007041724460   .000000000000
   .045301278300   .000000000000
   .113130381000   .000000000000
  -.219074601000   .000000000000
  -.261379603000   .000000000000
   .699218504000   .000000000000
   .425842927000   .000000000000
   .000000000000  1.000000000000
    7    2
   109.8599290
   31.24722890
   10.53539710
   1.456129190
   .5486145470
   .1892061280
   .6580000000E-01
  -.017422836600   .000000000000
  -.088371263200   .000000000000
  -.161036546000   .000000000000
   .387219013000   .000000000000
   .524334406000   .000000000000
   .269298326000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: TC6S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   320000.0000
   43410.00000
   9494.000000
   2573.000000
   789.4000000
   236.4000000
   92.98000000
   25.37000000
   11.48400000
   3.582000000
   1.419000000

   .029045577692
   .038937661538
   .073220561538
   .124770830769
   .160182223077
   .264793407692
   .381164869231
   .364280338462
   .668229730769
   .134293800000
   .068773310000
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1516.08540      218.139420      40.2632880      6.30387800
   14288049.00
   2232207.900
   552676.7600
   154323.1100
   46903.07400
   15123.94500
   5260.412400
   1999.633100
   817.4306900
   353.0510400
   157.5354600
   71.54368200
   33.07441400
   15.13555800
   6.972845000
   3.304904900
   1.500498000
   .6710680300
   .2882480800
   .1179068300
   .6074962800E-01
   .3026688500E-01
   .000006887907  -.000002202292   .000000933280  -.000000372872
   .000047591776  -.000015208862   .000006450954  -.000002574994
   .000234148040  -.000074912079   .000031735276  -.000012684339
   .001071030000  -.000342659890   .000145397740  -.000058026873
   .004451679900  -.001430274800   .000606191550  -.000242340020
   .016990870000  -.005504941900   .002340109700  -.000934107970
   .055137270000  -.018361074000   .007817706800  -.003128892900
   .146454060000  -.051910565000   .022350285000  -.008937317800
   .297740770000  -.122197180000   .053512899000  -.021552474000
   .386046010000  -.212209780000   .097593321000  -.039416449000
   .216539600000  -.171475650000   .084677497000  -.035275841000
   .022049542000   .271283910000  -.162794100000   .070631293000
   .002508684400   .661311130000  -.588387850000   .267306750000
  -.001705360900   .262412000000  -.223544830000   .118740500000
   .001174758200   .003733276500   .787144510000  -.546983590000
  -.000826213340   .005899582300   .532138290000  -.651264070000
   .000497730540  -.003080982600   .028109424000   .548732620000
  -.000287666730   .001584705900   .007145248000   .797398860000
   .000166247430  -.000932213580  -.003079607200   .118181960000
  -.000111914690   .000621456610   .002267015300   .001557844200
   .000068578067  -.000380504200  -.001402432100  -.001854554400
  -.000018872592   .000104703220   .000388831770   .000714243370
   14    2
  200.811940      33.3987480
   15123.94500
   5260.412400
   1999.633100
   817.4306900
   353.0510400
   157.5354600
   71.54368200
   33.07441400
   15.13555800
   6.972845000
   3.304904900
   1.500498000
   .6710680300
   .2882480800
   .000280238130  -.000122517280
   .001229227100  -.000538319970
   .006255972000  -.002757219800
   .024793098000  -.011062786000
   .083707605000  -.038448486000
   .222031880000  -.107044480000
   .396567990000  -.205786890000
   .349060620000  -.155242970000
   .095930216000   .263729460000
   .002417587700   .589959740000
   .001414362800   .278159710000
  -.000599267170   .024010986000
   .000218888540   .000614073490
  -.000070087760   .000087590986
   12    1
  20.8889360
   817.4306900
   353.0510400
   157.5354600
   71.54368200
   33.07441400
   15.13555800
   6.972845000
   3.304904900
   1.500498000
   .6710680300
   .2882480800
   .1179068300
   .000811722340
   .003278435800
   .017529418000
   .064578146000
   .188909780000
   .361907420000
   .389844950000
   .192408790000
   .032577655000
  -.000313147340
   .000624344610
  -.000178621140
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ru.ECP.Barandiaran.11s8p7d.1s2p2d.14e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*RU5F-PDS(A1/71/61)            (911/611/4111)
 14.000000         2

   11    1
   10983.03600
   1665.612190
   378.9107050
   40.83383470
   21.60077190
   6.327513560
   3.322836660
   1.275447560
   .5576775260
   .8333922030E-01
   .3177253290E-01
   .000678101327
   .004698609180
   .014995065200
  -.062927568300
  -.029977109300
   .175154274000
   .111562753000
  -.265714011000
  -.327959837000
   .639914206000
   .509333194000
    8    2
   937.9975730
   220.7921080
   69.15418820
   11.14567080
   6.356902300
   1.296114620
   .4717297780
   .7400000000E-01
   .007148487470   .000000000000
   .046063484700   .000000000000
   .115227621000   .000000000000
  -.220381401000   .000000000000
  -.264227798000   .000000000000
   .703299532000   .000000000000
   .424394480000   .000000000000
   .000000000000  1.000000000000
    7    2
   118.4555950
   33.80795010
   11.46950670
   1.583409250
   .5699002300
   .1802188810
   .7280000000E-01
  -.016796659000   .000000000000
  -.086115086300   .000000000000
  -.159455415000   .000000000000
   .388302842000   .000000000000
   .516837307000   .000000000000
   .301887899000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: RU5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   323800.0000
   44490.00000
   9802.000000
   2669.000000
   820.6000000
   246.8000000
   97.75000000
   26.96000000
   12.28100000
   3.770000000
   1.499500000

   .027465543571
   .036464048571
   .068491737143
   .116409392857
   .149304028571
   .246892978571
   .352377971429
   .335689907143
   .624179835714
   .123799392857
   .061782300000
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1591.02580      230.316980      42.8269360      6.51342440
   14091449.00
   2354967.800
   543769.3500
   152463.2400
   46026.23400
   14846.29600
   5160.863900
   1950.969000
   795.0065700
   342.5651200
   152.6730500
   69.25561700
   31.88535600
   14.54547300
   6.716067200
   3.090605600
   1.461419700
   .6493802800
   .2715430500
   .1066657700
   .5584831000E-01
   .2732303300E-01
   .000006964623  -.000002231166   .000000951383  -.000000383636
   .000049038862  -.000015699193   .000006697251  -.000002695718
   .000257159140  -.000082438729   .000035148518  -.000014183000
   .001150934100  -.000368887110   .000157414580  -.000063332334
   .004848073200  -.001561255600   .000666016600  -.000268846420
   .018335809000  -.005956438000   .002546601800  -.001024685600
   .059740845000  -.019989936000   .008570863900  -.003464818000
   .158056990000  -.056543990000   .024503429000  -.009874314900
   .313773510000  -.131511770000   .058166728000  -.023697547000
   .384385540000  -.219695330000   .102140730000  -.041530695000
   .191515000000  -.149718480000   .075661069000  -.032386301000
   .014625541000   .338732980000  -.212995290000   .094781670000
   .002463341700   .653931380000  -.614381210000   .282346330000
  -.001673492400   .206570670000  -.108538340000   .068932382000
   .001095049700   .002622533500   .871971310000  -.672876740000
  -.000770772420   .002852912000   .429839300000  -.540129940000
   .000480739270  -.001371429500  -.002218163400   .714029110000
  -.000256373430   .000514531000   .012519466000   .691243350000
   .000139651990  -.000282626970  -.005424386200   .090896104000
  -.000096110900   .000184262470   .003791575200  -.004547072400
   .000061106939  -.000119157290  -.002406502000   .001242223300
  -.000016392235   .000029909050   .000645529090  -.001014011900
   14    2
  212.478080      35.6966480
   14846.29600
   5160.863900
   1950.969000
   795.0065700
   342.5651200
   152.6730500
   69.25561700
   31.88535600
   14.54547300
   6.716067200
   3.090605600
   1.461419700
   .6493802800
   .2715430500
   .000314036100  -.000138680180
   .001388081000  -.000611169000
   .007102405200  -.003164010200
   .028066436000  -.012621898000
   .093739269000  -.043650910000
   .241674710000  -.118051520000
   .410244530000  -.216870190000
   .324848400000  -.126226110000
   .073212606000   .328587330000
   .001909685000   .594811270000
   .000493448280   .219961110000
  -.000173964340   .006745381800
   .000014131886   .003343651100
  -.000012471342  -.000562107030
   12    1
  22.6858870
   795.0065700
   342.5651200
   152.6730500
   69.25561700
   31.88535600
   14.54547300
   6.716067200
   3.090605600
   1.461419700
   .6493802800
   .2715430500
   .1066657700
   .000977882470
   .003944626400
   .020816291000
   .075132601000
   .213663040000
   .381689760000
   .379451220000
   .156735830000
   .014508867000
   .002831994800
  -.000627959300
   .000318162270
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Rh.ECP.Barandiaran.11s8p7d.1s2p2d.15e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*RH4F-PDS(A1/71/61)            (911/611/4111)
 15.000000         2

   11    1
   11789.48230
   1770.992990
   399.4820360
   42.51242850
   19.92561800
   8.623220850
   4.639189340
   1.343493520
   .5968495670
   .8484150220E-01
   .3203465520E-01
   .000650199943
   .004577782710
   .014822135600
  -.064489273100
  -.036153035600
   .091283222500
   .185288230000
  -.245981201000
  -.312263526000
   .624788349000
   .516292184000
    8    2
   988.5139390
   232.6717410
   72.91348860
   11.74715750
   6.790047750
   1.404832020
   .5122321780
   .7500000000E-01
   .007261725410   .000000000000
   .046963263100   .000000000000
   .118037775000   .000000000000
  -.227914847000   .000000000000
  -.264972190000   .000000000000
   .707010375000   .000000000000
   .422223292000   .000000000000
   .000000000000  1.000000000000
    7    2
   126.8583910
   36.31382370
   12.39050590
   1.745390690
   .6328480210
   .2010522170
   .7620000000E-01
  -.017178916600   .000000000000
  -.088802293500   .000000000000
  -.165909737000   .000000000000
   .396037158000   .000000000000
   .514578595000   .000000000000
   .293427659000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: RH4F1-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   328600.0000
   45340.00000
   9978.000000
   2722.000000
   840.4000000
   254.9000000
   101.9800000
   28.20000000
   13.00400000
   3.945000000
   1.598200000

   .026075563333
   .034625640000
   .065099591333
   .109889046667
   .139658300000
   .232616853333
   .326080240000
   .318333720000
   .578183660000
   .113684526667
   .055752858000
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1668.07730      243.126180      45.7578380      7.00627260
   16598539.00
   2571618.500
   618919.4100
   166285.0300
   49005.43000
   15527.55600
   5380.544800
   2058.050500
   847.3279700
   368.6491200
   165.4746200
   75.27978900
   34.75743000
   15.88153200
   7.325801900
   3.448738500
   1.575916900
   .6992508300
   .3019020000
   .1231679600
   .6243908800E-01
   .2987048800E-01
   .000006412459  -.000002057870   .000000882482  -.000000360144
   .000045163536  -.000014484591   .000006216621  -.000002532960
   .000234370880  -.000075262113   .000032266061  -.000013176335
   .001125888600  -.000361514460   .000155210500  -.000063222828
   .004820262000  -.001554849400   .000666926460  -.000272430400
   .018571048000  -.006044192900   .002600156100  -.001059236700
   .059536357000  -.019960725000   .008604505300  -.003520310800
   .154753400000  -.055421294000   .024172457000  -.009861687700
   .306656260000  -.128198620000   .056953264000  -.023481217000
   .381545030000  -.215605650000   .100820920000  -.041512996000
   .201557530000  -.159468860000   .080331826000  -.034652930000
   .017841729000   .309279560000  -.192432540000   .086559641000
   .002463786300   .659687160000  -.614163210000   .285837690000
  -.001703692700   .230273620000  -.155107230000   .093464783000
   .001149584500   .002216839000   .856151630000  -.662436440000
  -.000798390270   .004205987500   .456479860000  -.564426000000
   .000482737280  -.002151876600   .012169409000   .703708880000
  -.000276218930   .001016073000   .008208552300   .696148320000
   .000158977820  -.000590838530  -.003472992400   .084686950000
  -.000102957520   .000374435160   .002345608800   .003468188200
   .000060548321  -.000221346070  -.001374449800  -.002674815500
  -.000016123966   .000057375750   .000366840900   .000401129690
   14    2
  224.771140      38.3577640
   15527.55600
   5380.544800
   2058.050500
   847.3279700
   368.6491200
   165.4746200
   75.27978900
   34.75743000
   15.88153200
   7.325801900
   3.448738500
   1.575916900
   .6992508300
   .3019020000
   .000317173660  -.000140831270
   .001390368400  -.000618255280
   .006941566100  -.003109300500
   .027063554000  -.012279216000
   .089500419000  -.041882648000
   .232892430000  -.114575360000
   .404946920000  -.214794850000
   .335086800000  -.140417730000
   .081973313000   .311279040000
   .001734388100   .598318820000
   .000891747820   .230562180000
  -.000391372180   .014277297000
   .000109522740   .001178489800
  -.000042362662   .000037048750
   12    1
  24.8412500
   847.3279700
   368.6491200
   165.4746200
   75.27978900
   34.75743000
   15.88153200
   7.325801900
   3.448738500
   1.575916900
   .6992508300
   .3019020000
   .1231679600
   .000957104830
   .003761484000
   .019849484000
   .072475271000
   .207924060000
   .381742270000
   .381489130000
   .157952270000
   .019645157000
   .000639028230
   .000381973440
   .000062092319
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Pd.ECP.Barandiaran.11s8p7d.1s2p2d.16e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*PD3D-PDS(A1/71/61)            (911/611/4111)
 16.000000         2

   11    1
   12074.02350
   1824.862090
   414.4687370
   45.41137770
   22.76116430
   8.900469370
   5.039391080
   1.407632660
   .6256540310
   .8563979300E-01
   .3205680770E-01
   .000680536161
   .004741851570
   .015176090400
  -.062557811700
  -.037332177800
   .089068104400
   .184398393000
  -.251596734000
  -.294493680000
   .617209286000
   .516777004000
    8    2
   1038.992550
   244.6083610
   76.72843670
   12.37730050
   7.251772150
   1.515175250
   .5530995710
   .7700000000E-01
   .007381628820   .000000000000
   .047855080200   .000000000000
   .120672939000   .000000000000
  -.234282060000   .000000000000
  -.265920377000   .000000000000
   .710818287000   .000000000000
   .419563075000   .000000000000
   .000000000000  1.000000000000
    7    2
   135.9272560
   38.98938520
   13.36848150
   1.916823430
   .6997055760
   .2233202040
   .8380000000E-01
  -.017294535600   .000000000000
  -.090342891300   .000000000000
  -.170552899000   .000000000000
   .402116522000   .000000000000
   .512725393000   .000000000000
   .286804809000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: PD3D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   342300.0000
   48490.00000
   10914.00000
   3016.000000
   940.6000000
   285.5000000
   112.1000000
   31.59000000
   14.22800000
   4.382000000
   1.712500000

   .024413503750
   .031713438750
   .058970954375
   .100034737500
   .129219012500
   .208296175000
   .315918300000
   .278103250000
   .564673437500
   .109261725000
   .054395471250
M2
    0
COREREP
   1.0
PROJOP
    2
   20    4
  1746.63050      255.932660      48.4176100      7.17379760
   8553762.200
   1329108.700
   311297.3100
   83981.60100
   25203.26700
   8374.950100
   3115.806500
   1269.856500
   554.1609400
   252.4457100
   115.9603500
   54.03780900
   25.31630200
   11.86137200
   5.642726400
   2.598946800
   1.210153600
   .5610579300
   .2462585600
   .9587165900E-01
   .000015360556  -.000004936005   .000002128959  -.000000874234
   .000110830280  -.000035632971   .000015367289  -.000006304111
   .000588727650  -.000189300350   .000081660088  -.000033546549
   .002758229600  -.000889305120   .000383658340  -.000157359260
   .011292986000  -.003663388900   .001582291200  -.000650323320
   .038692403000  -.012808069000   .005545208100  -.002275059100
   .107410780000  -.037273366000   .016252049000  -.006696550600
   .235027880000  -.091058021000   .040291146000  -.016580590000
   .362245730000  -.175270210000   .080243655000  -.033446870000
   .305472790000  -.217041770000   .105736760000  -.044107960000
   .083190107000   .023021899000  -.013182424000   .004736825600
   .000415800680   .568409780000  -.426040250000   .197464230000
   .001395573900   .495767800000  -.554772890000   .271874100000
  -.000844998360   .063023720000   .359491140000  -.203999330000
   .000448134550   .007223325200   .853398160000  -.857782580000
  -.000275354260  -.003978693100   .169311390000  -.000361716600
   .000166437160   .002410478600   .002445752100   .869898130000
  -.000083240021  -.001365480600   .000854945270   .395661760000
   .000032195515   .000527923180   .000367128850   .038769139000
  -.000007425340  -.000123958000  -.000087021375  -.000787237140
   15    2
  237.061800      40.7480080
   25203.26700
   8374.950100
   3115.806500
   1269.856500
   554.1609400
   252.4457100
   115.9603500
   54.03780900
   25.31630200
   11.86137200
   5.642726400
   2.598946800
   1.210153600
   .5610579300
   .2462585600
   .000149325290  -.000066635822
   .000738320170  -.000330773310
   .003774532200  -.001694798300
   .015379030000  -.006986992000
   .052305389000  -.024237548000
   .150306050000  -.072611945000
   .324424110000  -.166770900000
   .407526320000  -.218811850000
   .204617560000   .034482602000
   .021170310000   .507810940000
   .002447070100   .481557100000
  -.001175791100   .089359909000
   .000628419180   .001829176700
  -.000334125990   .000778981440
   .000084688559   .000089881745
   13    1
  26.7263960
   1269.856500
   554.1609400
   252.4457100
   115.9603500
   54.03780900
   25.31630200
   11.86137200
   5.642726400
   2.598946800
   1.210153600
   .5610579300
   .2462585600
   .9587165900E-01
   .000447308170
   .001784098000
   .009611893200
   .039177935000
   .127035880000
   .290565200000
   .406579560000
   .291388220000
   .074138465000
   .001801869500
   .001433492300
  -.000477988570
   .000142462300
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ag.ECP.Barandiaran.11s8p7d.1s2p2d.17e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*AG2S-PDS(A1/71/61)            (911/611/4111)
 17.000000         2

   11    1
   12679.23730
   1909.566770
   432.6546540
   47.32865850
   20.03921350
   9.508720420
   4.729636360
   1.611457500
   .6708241170
   .8645558620E-01
   .3217302240E-01
   .000632961523
   .004435281020
   .014232467900
  -.061319777400
  -.045783917000
   .123794363000
   .159286572000
  -.236407191000
  -.289952023000
   .605896529000
   .521780889000
    8    2
   1090.228710
   256.7634970
   80.60839220
   13.07359390
   7.760381230
   1.627471620
   .5944368760
   .7800000000E-01
   .007488907640   .000000000000
   .048657463000   .000000000000
   .123047917000   .000000000000
  -.236803018000   .000000000000
  -.269525158000   .000000000000
   .714178036000   .000000000000
   .417088205000   .000000000000
   .000000000000  1.000000000000
    7    2
   145.4674910
   41.78638660
   14.37589100
   2.086840850
   .7657902110
   .2459887320
   .8660000000E-01
  -.017398965900   .000000000000
  -.091952366800   .000000000000
  -.175645594000   .000000000000
   .408641278000   .000000000000
   .510839725000   .000000000000
   .279312386000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: AG2S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   343300.0000
   48850.00000
   11005.00000
   3054.000000
   950.8000000
   288.7000000
   114.7600000
   31.97000000
   14.78900000
   4.449000000
   1.825000000

   .023496356471
   .030471517059
   .056594847059
   .095527017647
   .122987811765
   .201670388235
   .293014605882
   .276286794118
   .517165700000
   .099193935294
   .048296904706
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1827.66940      269.755640      51.8342080      8.00144300
   16271074.00
   2574088.200
   642468.2200
   180895.5200
   55389.49500
   17810.53000
   6159.595300
   2326.681500
   944.3249300
   406.7081200
   181.8505000
   82.89621500
   38.44474200
   17.69431500
   8.234751200
   3.895584100
   1.797301100
   .8043955000
   .3526972200
   .1471010000
   .7064816500E-01
   .3108181800E-01
   .000007284020  -.000002345389   .000001016588  -.000000423434
   .000049435340  -.000015908756   .000006900833  -.000002869213
   .000241400570  -.000077780725   .000033703886  -.000014049704
   .001088199100  -.000350598910   .000152136990  -.000063229834
   .004513131200  -.001460411000   .000633143490  -.000264009150
   .017395507000  -.005677167300   .002468083400  -.001025958300
   .056810512000  -.019072510000   .008309192100  -.003469719500
   .151814290000  -.054373688000   .023956984000  -.009974615500
   .307118610000  -.128205740000   .057569097000  -.024227715000
   .385403160000  -.217721970000   .102881350000  -.043246523000
   .203859180000  -.161758080000   .082580474000  -.036431868000
   .018261160000   .305551870000  -.193115700000   .089058402000
   .002502324200   .658187410000  -.619712760000   .295188770000
  -.001746740200   .235481090000  -.168517200000   .105259060000
   .001185905800   .002864323200   .863553480000  -.697668660000
  -.000825099210   .004120164200   .461158870000  -.564727020000
   .000502642780  -.002163354200   .011719214000   .723153310000
  -.000288139860   .001015593300   .009099105200   .682643070000
   .000163747680  -.000584943720  -.003815242400   .090433999000
  -.000096009776   .000335898660   .002335874600   .001790329800
   .000049787058  -.000173391800  -.001210018700  -.000564696730
  -.000012610805   .000043952145   .000303976870   .000393805420
   14    2
  250.361880      43.8893900
   17810.53000
   6159.595300
   2326.681500
   944.3249300
   406.7081200
   181.8505000
   82.89621500
   38.44474200
   17.69431500
   8.234751200
   3.895584100
   1.797301100
   .8043955000
   .3526972200
   .000292013930  -.000131394130
   .001300539800  -.000586248240
   .006688774700  -.003035641500
   .026768638000  -.012311972000
   .089660788000  -.042534173000
   .233259200000  -.116491280000
   .403715770000  -.217382820000
   .334541800000  -.142476540000
   .083083681000   .311597300000
   .001852720600   .601305750000
   .000824512750   .227858750000
  -.000396596680   .013711070000
   .000099561189   .001490362400
  -.000042287768   .000021478106
   12    1
  29.3550020
   944.3249300
   406.7081200
   181.8505000
   82.89621500
   38.44474200
   17.69431500
   8.234751200
   3.895584100
   1.797301100
   .8043955000
   .3526972200
   .1471010000
   .000956790460
   .003906118700
   .020460897000
   .074589853000
   .211915360000
   .385267220000
   .378237080000
   .148852660000
   .016533488000
   .000493411960
   .000040498283
   .000001038051
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cd.ECP.Barandiaran.11s8p6d.1s2p1d.18e-NR-AIMP.
Z.Barandiaran, L.Seijo, S.Huzinaga, J.Chem.Phys. 93(1990)5843.
core[Zn] val[4p,5s,4d]     (911/611*/411)=3s3p4d recommended
*CD1S-PDS(A1/71/6)             (911/611/411)
 18.000000         2

   11    1
   13249.28010
   1996.714040
   453.2105610
   48.73947130
   19.82451130
   9.970210070
   4.734315480
   2.086050490
   .8431962140
   .1097499370
   .4017803580E-01
   .000732950945
   .005130349230
   .016491319000
  -.074540269500
  -.053139941300
   .154029247000
   .204383577000
  -.226159115000
  -.399860309000
   .662392048000
   .483734445000
    8    2
   1144.355490
   269.5055180
   84.65967820
   13.66779090
   8.162461760
   1.758337550
   .6552341060
   .9900000000E-01
   .007631801310   .000000000000
   .049733058700   .000000000000
   .126263233000   .000000000000
  -.250900521000   .000000000000
  -.266943020000   .000000000000
   .718805479000   .000000000000
   .413059143000   .000000000000
   .000000000000  1.000000000000
    6    1
   154.4728860
   44.45838340
   15.36366790
   2.295921790
   .8725491610
   .2971857900
  -.018231416900
  -.096985290400
  -.186039438000
   .417869295000
   .510487058000
   .251385963000
*
* Core AIMP: CD1S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   355800.0000
   51680.00000
   11833.00000
   3309.000000
   1040.900000
   318.5000000
   125.6000000
   36.44000000
   16.34600000
   5.162000000
   2.051600000

   .022219702778
   .028330027222
   .052325944444
   .088467033333
   .114663705556
   .182274327778
   .282067438889
   .233995683333
   .514003594444
   .097153105556
   .051166098333
M2
    0
COREREP
   1.0
PROJOP
    2
   22    4
  1910.62920      284.012800      55.4162220      8.90000320
   17375361.00
   2769580.900
   694752.6600
   197949.1000
   60940.56400
   19666.01300
   6805.401800
   2565.504800
   1040.541100
   448.3476600
   201.3993800
   92.38481000
   43.08752300
   19.97539700
   9.371294600
   4.507998800
   2.085923400
   .9396227800
   .4173187700
   .1790472200
   .8615444000E-01
   .3847851100E-01
   .000007039607  -.000002270370   .000000989053  -.000000418007
   .000047522818  -.000015316952   .000006677686  -.000002818461
   .000228723190  -.000073817580   .000032148365  -.000013595225
   .001018096700  -.000328491880   .000143263820  -.000060449179
   .004210358000  -.001364387100   .000594492330  -.000251464860
   .016191220000  -.005288106500   .002310323500  -.000975054130
   .053228865000  -.017859987000   .007818263600  -.003311195900
   .143765010000  -.051282407000   .022692550000  -.009594351700
   .295997610000  -.122188570000   .055052382000  -.023482234000
   .385767150000  -.212625100000   .100598510000  -.042971481000
   .220867400000  -.176513290000   .089971494000  -.039911646000
   .025447944000   .252646960000  -.157051860000   .073030357000
   .002005043300   .659177990000  -.600904260000   .290269150000
  -.001378862600   .281476860000  -.266230950000   .156192130000
   .000971559440   .005771721700   .802970110000  -.627716220000
  -.000700068760   .005936936100   .545722220000  -.679072220000
   .000425273050  -.003250227100   .028736127000   .631647440000
  -.000247263900   .001673846000   .008698296200   .762233880000
   .000144525120  -.000995925090  -.003729193500   .111682100000
  -.000085049059   .000580445300   .002389727900   .003691339000
   .000043157211  -.000294326170  -.001221289200  -.001944404000
  -.000010940962   .000074613071   .000311924450   .000598649040
   14    2
  264.093100      47.1934120
   19666.01300
   6805.401800
   2565.504800
   1040.541100
   448.3476600
   201.3993800
   92.38481000
   43.08752300
   19.97539700
   9.371294600
   4.507998800
   2.085923400
   .9396227800
   .4173187700
   .000264830840  -.000119843630
   .001184044000  -.000537335160
   .006119355500  -.002792008100
   .024645751000  -.011399709000
   .083052471000  -.039539075000
   .218253350000  -.109296900000
   .391522850000  -.211050660000
   .351678960000  -.164402780000
   .100961530000   .261619190000
   .002833275400   .600905030000
   .001273046100   .270682940000
  -.000627229030   .022465756000
   .000195150460   .001166571000
  -.000072001391   .000128939850
   12    1
  32.1429420
   1040.541100
   448.3476600
   201.3993800
   92.38481000
   43.08752300
   19.97539700
   9.371294600
   4.507998800
   2.085923400
   .9396227800
   .4173187700
   .1790472200
   .000867198060
   .003544928500
   .018523117000
   .068155242000
   .197718690000
   .372946900000
   .386005050000
   .168021390000
   .023129932000
  -.000117850020
   .000379662640
  -.000106741370
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         C.2.2.3 Lanthanum and Third Series Transition Metal Elements
********************************************************************************
*
* - diffuse d functions from extrapolation of the outermost exponents
*
* - f-orthogonality function is the 4f core orbital; the outermost primitive
*   is splitted in order to act as a polarization function.
*
********************************************************************************
*
/La.ECP.Casarrubios.13s10p8d.1s2p2d.9e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd] val[5p,6s,5d]     SO-corrected (11,1,1/811*/611d)=3s3p3d recommended
*LA2D-PDS(A3/91/71)            (A111/811/611)
  9.000000         2

   13    1
   18807.37490
   2835.617190
   643.8588520
   75.12666870
   47.36632780
   12.83186450
   8.815102880
   3.903016720
   1.870188930
   .6996000310
   .2910567380
   .4501447280E-01
   .1919561570E-01
  -.000404636699
  -.002844464560
  -.009254531260
   .031097037600
   .026534547500
  -.081363240600
  -.098391626700
   .071295902000
   .334217534000
  -.169963665000
  -.587020069000
   .777411024000
   .414347428000
   10    2
   1694.237120
   399.5794740
   126.3330760
   19.81194150
   10.21433640
   4.862004620
   2.521258350
   .5022416030
   .1966433430
   .3800000000E-01
  -.003241832030   .000000000000
  -.021612033500   .000000000000
  -.056834766300   .000000000000
   .167149608000   .000000000000
   .107370444000   .000000000000
  -.173256186000   .000000000000
  -.427606806000   .000000000000
   .737365747000   .000000000000
   .401969051000   .000000000000
   .000000000000  1.000000000000
    8    2
   254.5158620
   74.15145850
   26.44573180
   5.554154370
   2.942824750
   .4079878060
   .1220177180
   .3650000000E-01
   .005663354260   .000000000000
   .032237016900   .000000000000
   .065354272000   .000000000000
  -.081198627600   .000000000000
  -.175986799000   .000000000000
   .557274385000   .000000000000
   .579287774000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: LA(2D)-[CD]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   434774.0000
   71881.00000
   17931.90000
   5287.370000
   1733.880000
   557.2520000
   213.2981000
   75.06232000
   31.01331000
   6.133752000
   3.901265000
   1.477410000
   .6434484000

   .052143868889
   .059714054444
   .107279457778
   .180013622222
   .246452788889
   .359685222222
   .646293644444
   .421803188889
  1.365034666667
   .672941466667
   .889526711111
   .239968277778
   .092476377778
M2
    0
COREREP
   1.0
PROJOP
    2
   15    5
  2744.56060      432.554000      95.6888260      20.6910740      3.40885900
   72910.75100
   13350.44900
   3722.329000
   1273.580100
   494.9115700
   207.3005800
   89.57990900
   41.57368100
   15.88857300
   8.321799600
   3.361072500
   1.729296300
   .6352924900
   .3490900000
   .1666400000
   .009399356400   .003126400100   .001380693300   .000663028060   .000268894080
   .050780497000   .016850666000   .007804186700   .003612507300   .001444022000
   .172642380000   .062970418000   .028359732000   .013590553000   .005504641200
   .374803610000   .160570720000   .077220568000   .036083962000   .014456929000
   .405472400000   .263328720000   .128525270000   .063272371000   .025807675000
   .131592200000   .044720685000   .033312077000   .013565773000   .005057710200
   .001311056500  -.560965050000  -.462934900000  -.240214130000  -.098356346000
   .001714380100  -.536821690000  -.569812910000  -.349404970000  -.150139640000
  -.001102514900  -.077774151000   .591501190000   .542530030000   .256211930000
   .000741902290   .018088640000   .712592460000   .877261770000   .435835740000
  -.000423075740  -.007215790500   .091041976000  -.656390450000  -.441712950000
   .000273115370   .004336230000  -.014191483000  -.802636530000  -.850071760000
  -.000152072180  -.002256751100   .005820098300  -.072235790000   .385807960000
   .000097694536   .001422682000  -.003549550700   .014404228000   .827098730000
  -.000023696772  -.000342852680   .000779277420  -.002808481000   .202516780000
   12    3
  407.814800      84.9182980      16.5178160
   6412.513600
   1668.023000
   593.2348100
   245.9743600
   111.7432400
   53.74692100
   25.94435600
   13.22194100
   6.788832100
   3.464516000
   1.758490300
   .8184000000
   .004102459700   .001964119800   .000909496380
   .027310440000   .013153913000   .006059681400
   .107780660000   .054237278000   .025327385000
   .273826070000   .145883030000   .068729633000
   .408907660000   .236992160000   .114429760000
   .288748390000   .098695144000   .037054987000
   .066758955000  -.353026780000  -.240016280000
   .000327232610  -.554989000000  -.431896740000
   .001142088800  -.217234550000   .028685295000
  -.000661772580  -.018530621000   .618419900000
   .000181775420  -.001427346600   .458980620000
  -.000049536794   .000160071980   .065627917000
   10    2
  65.1072310      9.10718220
   705.6814000
   224.2944000
   90.99106100
   41.38768000
   19.94048600
   9.997433300
   5.021831300
   2.506555000
   1.226280000
   .5456900000
   .005922584000   .002723380800
   .040921933000   .018723073000
   .148553650000   .070178770000
   .320803980000   .150588870000
   .404743510000   .177715770000
   .246036250000  -.015555488000
   .054698198000  -.363573830000
   .002372087700  -.477092500000
   .000115999220  -.240168760000
  -.000074030549  -.034678961000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Hf.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.10e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*HF3F-PDS(A3/91/81/5)          (A111/811/6111/41)
 10.000000         3

   13    1
   121155.5890
   17308.86270
   3731.481360
   980.9677400
   118.5377880
   61.27985520
   27.29654440
   17.44408940
   4.072753720
   14.74093580
   .5548654780
   .5891645190E-01
   .2315701690E-01
  -.000072368250
  -.000590994295
  -.002979304450
  -.008652431710
   .040240678700
   .021454050300
  -.045583628000
  -.137990784000
   .284851802000
   .029210142800
  -.590676732000
   .829274650000
   .312822268000
   10    2
   2863.056770
   671.1356760
   211.8556310
   37.29274680
   19.57814320
   14.33163340
   5.097243210
   .8576472210
   .3215276790
   .5900000000E-01
  -.003120025210   .000000000000
  -.021592705300   .000000000000
  -.058747360000   .000000000000
   .133510060000   .000000000000
   .228536528000   .000000000000
  -.183469209000   .000000000000
  -.462913556000   .000000000000
   .716478542000   .000000000000
   .409333268000   .000000000000
   .000000000000  1.000000000000
    9    2
   483.2841860
   141.8362060
   51.61148430
   9.571433500
   4.781090200
   .9817820170
   .3616260090
   .1188069010
   .3250000000E-01
   .004400912110   .000000000000
   .027177517300   .000000000000
   .060030655000   .000000000000
  -.116216427000   .000000000000
  -.115481843000   .000000000000
   .322827154000   .000000000000
   .539509398000   .000000000000
   .344997267000   .000000000000
   .000000000000  1.000000000000
    5    1
   51.28504200
   16.31693600
   5.949867200
   2.160754000
   .7138620000
   .102325850000
   .338845810000
   .471265780000
   .351983520000
   .123604200000
*
* Core AIMP: HF(3F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   614895.4200
   144753.7000
   47853.44800
   17391.89600
   6772.378200
   2769.144900
   1121.679800
   483.2673200
   237.1153500
   85.30438400
   49.75497100
   11.08050600
   5.749733000
   2.213112000
   .9682070000

   .050480584000
   .041068603000
   .065370375000
   .103543720000
   .154703340000
   .197948110000
   .256411260000
   .469374610000
   .440842160000
   .622887710000
  1.019925600000
  1.329359900000
   .992946090000
   .368499240000
   .086638621000
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  4463.62220      738.659600      170.823950      35.5954530      5.03883990
   121690.7500
   22239.44800
   6193.629000
   2121.580100
   828.9215700
   354.5905800
   150.4599100
   70.69068100
   27.55257300
   14.59480000
   6.050272500
   3.017096300
   1.050292500
   .5550100000
   .2583600000
   .008910701300   .003014261600   .001379487200   .000682361830   .000262216620
   .048414279000   .016270254000   .007822215200   .003728580200   .001428239300
   .165743230000   .061301448000   .028625747000   .014133291000   .005432629400
   .365078220000   .157215430000   .078543587000   .037823549000   .014518648000
   .407623360000   .264955020000   .134284410000   .068223887000   .026368576000
   .145481040000   .065376072000   .046606406000   .020806641000   .007961464100
   .005089687800  -.544884890000  -.474274910000  -.256660580000  -.101120490000
   .000593233810  -.557107720000  -.616643670000  -.396946840000  -.162016450000
  -.000474156930  -.084713812000   .626110570000   .641444560000   .289346150000
   .000295455640   .020022497000   .708867790000   .861446430000   .408580870000
  -.000150284990  -.007438870500   .085723484000  -.734041660000  -.476841900000
   .000089079046   .003961095000  -.010653194000  -.764228020000  -.759810870000
  -.000046063765  -.001928140500   .004228834400  -.060382328000   .433822140000
   .000029424410   .001217048800  -.002579331100   .012887774000   .766677300000
  -.000007474054  -.000306502210   .000599416930  -.002622224200   .183587310000
   12    3
  705.952020      155.705010      29.2439900
   11449.51400
   2971.233000
   1053.564800
   436.0033600
   198.0532400
   95.50692100
   46.42935600
   23.94494100
   12.36973200
   6.309116000
   3.172210300
   1.458610000
   .003485935500   .001748173400   .000838963600
   .023666440000   .011924687000   .005706765900
   .096297067000   .050667973000   .024552530000
   .255830710000   .142616250000   .069926825000
   .405546880000   .247286830000   .124373110000
   .310537120000   .128831100000   .054769771000
   .078502149000  -.346844540000  -.257857500000
   .000255567240  -.568569190000  -.461738060000
   .001433297000  -.220241040000   .059731658000
  -.000754010820  -.018485204000   .634083980000
   .000234197310  -.001506536200   .438447120000
  -.000057694837   .000075877097   .059552387000
   10    2
  127.897770      17.7621270
   1244.681400
   396.3043900
   161.6710600
   74.19268000
   36.25648600
   18.40243300
   9.345331300
   4.684655000
   2.287180000
   .9985800000
   .005611745000   .002765263900
   .039840598000   .019664422000
   .148945250000   .075860009000
   .328021310000   .167473580000
   .407679630000   .188786920000
   .233159640000  -.048755176000
   .047917463000  -.398640580000
   .002863595200  -.458661510000
   .000430513430  -.211137980000
   .000041058538  -.027460291000
    5    1
  2.86053870
   51.28504200
   16.31693600
   5.949867200
   2.160754000
   .7138620000
   .102325850000
   .338845810000
   .471265780000
   .351983520000
   .123604200000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ta.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.11e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*TA4F-PDS(A3/91/81/5)          (A111/811/6111/41)
 11.000000         3

   13    1
   134694.9710
   18502.44950
   3898.181560
   1018.259620
   122.1857450
   63.78845400
   27.70695340
   17.59543250
   4.245829260
   14.85900260
   .6026190750
   .6397656270E-01
   .2499130770E-01
  -.000068890522
  -.000591889969
  -.003056673410
  -.008961664480
   .041253276000
   .022605628700
  -.053434227000
  -.141116017000
   .297237979000
   .033944247700
  -.597685724000
   .815219566000
   .327386116000
   10    2
   2985.009910
   696.8065820
   219.3169580
   37.81275590
   19.69723540
   14.45378900
   5.295693100
   .9185108790
   .3468210280
   .6500000000E-01
  -.003155816820   .000000000000
  -.022072646700   .000000000000
  -.060632683800   .000000000000
   .147546070000   .000000000000
   .222528008000   .000000000000
  -.188361645000   .000000000000
  -.475615648000   .000000000000
   .726130038000   .000000000000
   .403094003000   .000000000000
   .000000000000  1.000000000000
    9    2
   499.4888390
   146.7368010
   53.50456310
   9.952637610
   4.958820420
   1.085107850
   .4137395980
   .1394305910
   .3950000000E-01
   .004777096070   .000000000000
   .029530930200   .000000000000
   .065263021200   .000000000000
  -.127913806000   .000000000000
  -.124682553000   .000000000000
   .332028314000   .000000000000
   .541409254000   .000000000000
   .325039447000   .000000000000
   .000000000000  1.000000000000
    5    1
   56.09724200
   17.98793600
   6.647657200
   2.461714000
   .8331820000
   .096133784000
   .328803620000
   .471631990000
   .356981000000
   .121656900000
*
* Core AIMP: TA(4F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   645914.0700
   153685.6700
   51210.31300
   18723.12400
   7334.733700
   3008.901400
   1221.145800
   520.5041300
   253.9807400
   90.93598400
   52.17756500
   11.60370800
   6.121943700
   2.397751100
   1.061998400

   .045435094545
   .036557337273
   .058023078182
   .091585300000
   .137163227273
   .178310200000
   .227748218182
   .416625290909
   .420007863636
   .538616472727
   .965341000000
  1.200524545455
   .916279272727
   .326845900000
   .077300840000
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  4593.68440      762.584700      177.257630      37.3689300      5.44078360
   127918.9100
   23375.84400
   6505.713400
   2227.887400
   871.4871700
   375.1588200
   156.5762600
   73.45756200
   28.59353400
   15.18252700
   6.311970100
   3.169695000
   1.123284500
   .5948910000
   .2762100000
   .008665284200   .002936598800   .001346132900   .000667705130   .000261081650
   .047177545000   .015842134000   .007629247000   .003650874900   .001424372500
   .162150960000   .059955061000   .028037846000   .013882103000   .005430289400
   .360136790000   .154194370000   .077103445000   .037272454000   .014571606000
   .408773890000   .263528370000   .133598290000   .068008921000   .026744374000
   .152826460000   .075035667000   .051849157000   .023784142000   .009315761200
   .007013681700  -.537911920000  -.466742120000  -.253686150000  -.101840860000
   .000008470755  -.564912710000  -.627086490000  -.404030390000  -.167854120000
  -.000153378550  -.087553210000   .615542640000   .633091950000   .291052450000
   .000071932025   .020936372000   .716995150000   .875755320000   .424385800000
  -.000032683270  -.007890077900   .088792996000  -.721108910000  -.479120490000
   .000022409613   .004253003700  -.011240710000  -.776706840000  -.791047980000
  -.000011444915  -.002070595500   .004409457300  -.063127194000   .443199150000
   .000007000562   .001286127300  -.002645197700   .012883479000   .775174960000
  -.000001775741  -.000319125210   .000603596140  -.002599686600   .181159620000
   12    3
  729.332160      161.834940      30.8491660
   12027.14500
   3106.050200
   1097.880900
   453.3179100
   205.6021700
   99.08497200
   48.27430000
   24.94092400
   12.91660900
   6.593344500
   3.324810900
   1.533800000
   .003375664500   .001695909600   .000817503990
   .023142489000   .011685213000   .005615248700
   .094880996000   .049995494000   .024330234000
   .253882260000   .141777530000   .069806861000
   .405428100000   .247619790000   .125101000000
   .312776410000   .132362740000   .057006485000
   .079971386000  -.341616480000  -.255576740000
   .000532615110  -.569242080000  -.464943500000
   .001377257600  -.224834130000   .051242406000
  -.000724258150  -.019498431000   .634576310000
   .000221894020  -.001470077800   .443040940000
  -.000053828226   .000088627054   .059775789000
   10    2
  133.464970      19.0409960
   1306.050100
   415.6635900
   169.5826000
   77.89265500
   38.12449700
   19.39499400
   9.877726600
   4.971304000
   2.442100000
   1.077180000
   .005415917600   .002688824100
   .038696533000   .019240827000
   .145726340000   .074768160000
   .323881370000   .166758370000
   .407684390000   .191463360000
   .238296280000  -.040844757000
   .050716444000  -.393612460000
   .003088101700  -.462456240000
   .000447376480  -.215118630000
   .000029112347  -.027929346000
    5    1
  3.60937080
   56.09724200
   17.98793600
   6.647657200
   2.461714000
   .8331820000
   .096133784000
   .328803620000
   .471631990000
   .356981000000
   .121656900000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/W.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.12e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*W5D-PDS(A3/91/81/5)           (A111/811/6111/41)
 12.000000         3

   13    1
   140517.3330
   19114.85490
   4026.943040
   1043.413590
   127.5206300
   65.70589850
   28.74723590
   17.98817120
   4.296399160
   5.090816670
   .6506244470
   .6848813410E-01
   .2654082830E-01
  -.000069886758
  -.000605423125
  -.003124597490
  -.009242799890
   .040691897700
   .027273423800
  -.067792959000
  -.104468437000
   .240445922000
   .071036484400
  -.601034768000
   .805086015000
   .336889322000
   10    2
   3027.960410
   711.7020990
   225.2828230
   38.83323180
   20.02065760
   14.54463110
   5.497854700
   .9812906030
   .3724973840
   .6900000000E-01
  -.003308411950   .000000000000
  -.022831138300   .000000000000
  -.062227425900   .000000000000
   .156657428000   .000000000000
   .218610119000   .000000000000
  -.191285261000   .000000000000
  -.486561647000   .000000000000
   .734824031000   .000000000000
   .397979191000   .000000000000
   .000000000000  1.000000000000
    9    2
   513.9861140
   151.3482240
   55.36231310
   10.40230380
   5.233043350
   1.168497310
   .4545658420
   .1562313880
   .4630000000E-01
   .005126917470   .000000000000
   .031591494200   .000000000000
   .069641824600   .000000000000
  -.135406286000   .000000000000
  -.133325726000   .000000000000
   .349165478000   .000000000000
   .540473391000   .000000000000
   .302586492000   .000000000000
   .000000000000  1.000000000000
    5    1
   60.84324200
   19.63993600
   7.339027200
   2.761824000
   .9530650000
   .091184328000
   .320481980000
   .471915390000
   .361038350000
   .119828420000
*
* Core AIMP: W(5D)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   625813.8200
   150800.0100
   50633.71800
   18573.20600
   7296.649200
   3008.055900
   1230.758800
   530.9377200
   261.1994500
   94.55128400
   54.26096100
   12.09574600
   6.453459000
   2.551240000
   1.140706000

   .042916343333
   .034084299167
   .054237223333
   .085537216667
   .127480283333
   .163665783333
   .209332050000
   .381410533333
   .381574866667
   .484431566667
   .895276833333
  1.103648666667
   .845607500000
   .289977708333
   .067485836667
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  4725.64770      786.917480      183.835040      39.1926620      5.84244560
   134589.8400
   24532.84800
   6826.974500
   2339.964600
   917.5688700
   398.0846100
   162.6494100
   76.22609900
   29.67434700
   15.79025200
   6.577197600
   3.327881300
   1.202682600
   .6367100000
   .2949290000
   .008429034600   .002862742300   .001314602700   .000654028740   .000259843220
   .046051581000   .015446969000   .007450214300   .003579043400   .001419947200
   .158558380000   .058634840000   .027460891000   .013638714000   .005421411900
   .354645810000   .150884750000   .075510175000   .036637631000   .014564997000
   .409053890000   .261553280000   .132615870000   .067665437000   .027035374000
   .161142730000   .084704784000   .056941585000   .026669072000   .010655533000
   .009436228900  -.531304640000  -.459670940000  -.250954440000  -.102488830000
  -.000820092760  -.571706270000  -.636683550000  -.410873570000  -.173516520000
   .000326035010  -.090152584000   .604521690000   .624358980000   .292107480000
  -.000272090290   .021673239000   .725690430000   .890550780000   .440225560000
   .000155351230  -.008280725600   .092056144000  -.708638800000  -.481138290000
  -.000088042929   .004529175600  -.011971944000  -.788302140000  -.821023840000
   .000045923546  -.002198924400   .004627959500  -.065863067000   .449279330000
  -.000028861400   .001339320400  -.002719772600   .012653362000   .784782530000
   .000007085488  -.000328339070   .000611067360  -.002552494000   .180522590000
   12    3
  753.118350      168.106970      32.5024140
   12646.55800
   3270.508700
   1156.763700
   477.5216700
   216.3467300
   104.1354400
   50.71926600
   26.20374700
   13.58397300
   6.928451800
   3.499411400
   1.617000000
   .003246122000   .001633688200   .000791629740
   .022256780000   .011258471000   .005430486500
   .091665993000   .048342819000   .023633659000
   .248050250000   .138565430000   .068475298000
   .403474520000   .246574960000   .125157500000
   .319590000000   .141653580000   .062610423000
   .084709619000  -.328413540000  -.247245690000
   .000768256970  -.573132830000  -.470935610000
   .001475060800  -.234319690000   .034016706000
  -.000771887220  -.021219800000   .634482170000
   .000240508040  -.001444911500   .451798690000
  -.000057394694   .000101144770   .060947208000
   10    2
  139.171110      20.3639580
   1386.134500
   440.9804200
   179.9679800
   82.72261900
   40.52713200
   20.65358600
   10.54025100
   5.321406000
   2.628290000
   1.171150000
   .005097493200   .002550647700
   .036740064000   .018396176000
   .139997910000   .072345681000
   .316603400000   .164400040000
   .408105530000   .195285900000
   .247482470000  -.027161548000
   .055472765000  -.384861370000
   .003464689200  -.468609120000
   .000481723540  -.222896090000
   .000016936855  -.029422081000
    5    1
  4.39931990
   60.84324200
   19.63993600
   7.339027200
   2.761824000
   .9530650000
   .091184328000
   .320481980000
   .471915390000
   .361038350000
   .119828420000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Re.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.13e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*RE6S-PDS(A3/91/81/5)          (A111/811/6111/41)
 13.000000         3

   13    1
   147700.6070
   20305.66090
   4239.010910
   1087.812690
   131.0870650
   69.99728690
   28.62712910
   18.14591850
   4.588300470
   4.937993990
   .6956576240
   .7286360080E-01
   .2814720620E-01
  -.000068551628
  -.000591368360
  -.003122623020
  -.009439106090
   .040907334300
   .026810062300
  -.076039714600
  -.098975439500
   .236532244000
   .081121013700
  -.599915246000
   .788993979000
   .352137224000
   10    2
   3105.077330
   731.0832500
   231.9599240
   39.60897470
   20.16330410
   14.55636440
   5.705933570
   1.046371350
   .3989699010
   .7300000000E-01
  -.003407400350   .000000000000
  -.023439448900   .000000000000
  -.063784151300   .000000000000
   .168855949000   .000000000000
   .210235031000   .000000000000
  -.193800918000   .000000000000
  -.495976206000   .000000000000
   .741625772000   .000000000000
   .394802028000   .000000000000
   .000000000000  1.000000000000
    9    2
   527.7509190
   155.8206040
   57.20375010
   10.89871850
   5.553909670
   1.247358850
   .4934133130
   .1731541820
   .5330000000E-01
   .005458339660   .000000000000
   .033470770100   .000000000000
   .073473337300   .000000000000
  -.140393618000   .000000000000
  -.141918711000   .000000000000
   .367134518000   .000000000000
   .537904031000   .000000000000
   .280858568000   .000000000000
   .000000000000  1.000000000000
    5    1
   65.57774200
   21.29073600
   8.030547200
   3.063374000
   1.074017000
   .087065954000
   .313365280000
   .472160320000
   .364479920000
   .118178960000
*
* Core AIMP: RE(6S)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   612737.6200
   150648.2000
   51463.10800
   19176.58600
   7613.060200
   3154.022900
   1294.493800
   557.0694200
   273.6244500
   99.16628400
   56.49084100
   12.58693600
   6.778687000
   2.698013000
   1.214611000

   .040493603846
   .031546643077
   .049647066154
   .077901138462
   .116256761538
   .150423869231
   .191409484615
   .348192000000
   .359408938462
   .435810400000
   .842286307692
  1.024791538462
   .782999000000
   .258581861538
   .059482250000
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  4859.50290      811.648400      190.546050      41.0566890      6.23949140
   144516.4400
   26224.98900
   7277.475100
   2491.011800
   977.9322000
   426.7036600
   169.3199100
   79.20700200
   30.81753200
   16.43529800
   6.859947400
   3.497332500
   1.287739600
   .6812300100
   .3149800000
   .007995594100   .002723711400   .001252519400   .000625123540   .000251980670
   .044034856000   .014736274000   .007118505800   .003433050700   .001382758600
   .152769680000   .056454409000   .026470992000   .013187139000   .005318713000
   .346491640000   .145903610000   .073029497000   .035567624000   .014354136000
   .410322560000   .258768650000   .131113770000   .067014794000   .027162372000
   .173880300000   .098385174000   .064094524000   .030672516000   .012466355000
   .012577650000  -.522745560000  -.450239150000  -.246906300000  -.102402460000
  -.001895192900  -.580288970000  -.648289000000  -.418783810000  -.179498520000
   .000959033300  -.093313890000   .590814980000   .612428020000   .291135510000
  -.000733437890   .022546077000   .736182930000   .908163060000   .457125850000
   .000414512420  -.008729610300   .095845704000  -.693402520000  -.480153530000
  -.000244708490   .004840245000  -.012748291000  -.802070430000  -.851359920000
   .000126842010  -.002340437900   .004851742900  -.069160136000   .450107750000
  -.000077791039   .001398080400  -.002792307000   .012486521000   .795546150000
   .000018950391  -.000339075540   .000618180380  -.002528863200   .182495420000
   12    3
  777.301130      174.511030      34.1940400
   13037.24500
   3368.590000
   1190.436300
   491.2212600
   222.6007900
   107.2075700
   52.27255300
   27.03973400
   14.02928900
   7.169004100
   3.632602000
   1.679200000
   .003232448400   .001630156000   .000793107820
   .022210673000   .011257966000   .005455830300
   .091650510000   .048436950000   .023781885000
   .248130320000   .138930440000   .068985841000
   .403449200000   .247165600000   .126025490000
   .319466830000   .141792120000   .062969879000
   .084683963000  -.329198420000  -.249713720000
   .000783976580  -.572903130000  -.473088380000
   .001463414500  -.234065170000   .035482625000
  -.000768632150  -.021126305000   .638084970000
   .000239282750  -.001440733500   .449836070000
  -.000055541898   .000131151950   .058922224000
   10    2
  145.006260      21.7220210
   1490.135600
   473.5799000
   193.2553800
   88.88950600
   43.59566200
   22.26764700
   11.39993600
   5.781050000
   2.878110000
   1.306790000
   .004665226600   .002352707500
   .034066637000   .017173635000
   .131996820000   .068674562000
   .305822250000   .160165380000
   .407783460000   .199481010000
   .260834130000  -.006724851100
   .063048712000  -.368856730000
   .004193661000  -.475956510000
   .000534581570  -.237517970000
   .000010857578  -.033615686000
    5    1
  5.22223860
   65.57774200
   21.29073600
   8.030547200
   3.063374000
   1.074017000
   .087065954000
   .313365280000
   .472160320000
   .364479920000
   .118178960000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Os.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.14e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*OS5D-PDS(A3/91/81/5)          (A111/811/6111/41)
 14.000000         3

   13    1
   173593.8170
   22671.95690
   4635.666280
   1143.028720
   133.6905880
   72.78663430
   29.27108020
   18.43583550
   5.047860280
   4.478227200
   .7453836040
   .7764964910E-01
   .2968977280E-01
  -.000061270879
  -.000560320948
  -.003043738610
  -.009810014480
   .042501101300
   .026081597800
  -.079497019500
  -.101466867000
   .243246713000
   .085192257900
  -.603757879000
   .784665714000
   .356533014000
   10    2
   3223.404990
   758.0362610
   240.2341690
   39.93976140
   20.04477020
   14.50179890
   5.923409390
   1.113720780
   .4266595340
   .7700000000E-01
  -.003438569740   .000000000000
  -.023777860300   .000000000000
  -.065358726600   .000000000000
   .186263574000   .000000000000
   .194744823000   .000000000000
  -.194840892000   .000000000000
  -.505025351000   .000000000000
   .748624325000   .000000000000
   .391330085000   .000000000000
   .000000000000  1.000000000000
    9    2
   547.7455290
   161.4251570
   59.20076930
   11.46773220
   5.955349900
   1.321416400
   .5225349940
   .1827772210
   .5700000000E-01
   .005657628310   .000000000000
   .035006214900   .000000000000
   .077182692800   .000000000000
  -.141555829000   .000000000000
  -.151412151000   .000000000000
   .385865965000   .000000000000
   .531564407000   .000000000000
   .268859657000   .000000000000
   .000000000000  1.000000000000
    5    1
   70.33743300
   22.95527700
   8.730343300
   3.370680000
   1.198960000
   .083542409000
   .307061590000
   .472243720000
   .367539570000
   .116688780000
*
* Core AIMP: OS(5D)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   666914.6200
   161972.2000
   54758.30800
   20220.78600
   8001.340200
   3318.812900
   1364.993800
   584.6214200
   286.1534500
   103.7202800
   58.71544100
   13.08083600
   7.110657000
   2.846423000
   1.289441000

   .036755236429
   .028942775714
   .045872005714
   .072001828571
   .107225085714
   .139090957143
   .176228071429
   .320315850000
   .340606028571
   .396357807143
   .794206214286
   .958008428571
   .727323714286
   .232566050000
   .053071350000
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  4995.29260      836.819910      197.431190      43.0007810      6.66727490
   155332.3200
   28116.84800
   7780.035400
   2658.047100
   1043.639000
   456.1713400
   176.4326200
   82.41185200
   31.96126400
   17.10114400
   7.140332900
   3.669727800
   1.374948200
   .7262774400
   .3346712000
   .007560437400   .002582521000   .001188833000   .000595387980   .000243386920
   .041917478000   .013997791000   .006773588500   .003279021800   .001340327700
   .146706110000   .054149175000   .025413731000   .012701174000   .005195548300
   .337839830000   .140813270000   .070493970000   .034459912000   .014112703000
   .411786810000   .255648080000   .129410880000   .066267947000   .027236340000
   .187376770000   .112426440000   .071518178000   .034791829000   .014369336000
   .015590690000  -.512173180000  -.439222480000  -.241824890000  -.101808450000
  -.002903820000  -.590192140000  -.660263510000  -.426899760000  -.185618240000
   .001566388100  -.097336903000   .575910520000   .600023250000   .289750660000
  -.001185984100   .023936518000   .746669230000   .924797580000   .473777990000
   .000676228730  -.009399798000   .099899118000  -.679313420000  -.480114650000
  -.000408380600   .005289894500  -.013776061000  -.814131200000  -.880596390000
   .000210408460  -.002543693200   .005153433200  -.072257738000   .453498780000
  -.000126360940   .001489041400  -.002901085200   .012242442000   .806449040000
   .000030462100  -.000357004000   .000633114500  -.002493538800   .181987330000
   12    3
  801.923000      181.087740      35.9638100
   14197.90800
   3650.068600
   1284.888700
   528.2408900
   238.3793400
   114.3468000
   55.70501700
   28.75951000
   14.91884000
   7.599559800
   3.849232500
   1.778622000
   .002935491500   .001481807100   .000725318210
   .020447648000   .010379911000   .005046605200
   .085737016000   .045275366000   .022333296000
   .237704380000   .132895730000   .066185902000
   .400114430000   .244693610000   .125330880000
   .331636770000   .157885470000   .072636052000
   .093335388000  -.304593770000  -.232567460000
   .001498220500  -.579617100000  -.481576640000
   .001540615200  -.251277970000   .004322499200
  -.000804830920  -.024244414000   .635845220000
   .000252634970  -.001410912100   .465782330000
  -.000058017440   .000137296240   .061843285000
   10    2
  151.011200      23.1548940
   1480.467700
   472.1373200
   193.1920400
   89.03587300
   43.74245100
   22.35557000
   11.45151900
   5.818359100
   2.898440300
   1.300090000
   .005026096200   .002552059000
   .036159764000   .018384469000
   .137999570000   .072400546000
   .313717340000   .165584250000
   .407638190000   .198660100000
   .250426100000  -.023401219000
   .057379078000  -.384888370000
   .003615943500  -.471892180000
   .000472995710  -.220212610000
  -.000004652394  -.027434271000
    5    1
  6.11849210
   70.33743300
   22.95527700
   8.730343300
   3.370680000
   1.198960000
   .083542409000
   .307061590000
   .472243720000
   .367539570000
   .116688780000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ir.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.15e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*IR4F-PDS(A3/91/81/5)          (A111/811/6111/41)
 15.000000         3

   13    1
   199643.0840
   23641.74680
   4683.552130
   1166.335800
   136.7739240
   86.46513320
   27.42890220
   20.47501080
   5.077455740
   4.926744470
   .7961653580
   .8184005910E-01
   .3103715990E-01
  -.000056372977
  -.000573265047
  -.003162213820
  -.009895428960
   .041889621700
   .021905010900
  -.072170984600
  -.102790181000
   .277158522000
   .054790798500
  -.604441306000
   .779330167000
   .360659414000
   10    2
   3284.962350
   774.6889420
   246.3668190
   41.05103220
   20.35502980
   14.26061980
   6.134312880
   1.182592840
   .4542167730
   .8100000000E-01
  -.003562457740   .000000000000
  -.024479068100   .000000000000
  -.066832961000   .000000000000
   .195452870000   .000000000000
   .179336578000   .000000000000
  -.190344157000   .000000000000
  -.510533303000   .000000000000
   .755372357000   .000000000000
   .388287410000   .000000000000
   .000000000000  1.000000000000
    9    2
   561.2196840
   166.0098670
   61.14641450
   11.92030960
   6.243607150
   1.413899870
   .5618094810
   .1968913120
   .6170000000E-01
   .005958617020   .000000000000
   .036599549200   .000000000000
   .080374625500   .000000000000
  -.147544411000   .000000000000
  -.156862334000   .000000000000
   .396295197000   .000000000000
   .528522448000   .000000000000
   .260912313000   .000000000000
   .000000000000  1.000000000000
    5    1
   75.09387300
   24.62158500
   9.431892300
   3.680039000
   1.325093000
   .080556275000
   .301622350000
   .472334480000
   .370119610000
   .115270440000
*
* Core AIMP: IR(4F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   656500.6200
   163510.2000
   56482.90800
   21223.68600
   8467.060200
   3528.472900
   1460.213800
   622.8174200
   303.3074500
   110.1852800
   61.30284100
   13.65183600
   7.526867000
   3.030033000
   1.372691000

   .034908554667
   .026808369333
   .041950751333
   .065738864000
   .098426113333
   .128515826667
   .161326400000
   .292136553333
   .328272486667
   .353970833333
   .763364200000
   .887008200000
   .687998666667
   .213602526667
   .049304985333
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5132.96960      862.384470      204.443640      44.9789090      7.08965150
   161648.3200
   29280.20100
   8098.913100
   2767.751600
   1087.350500
   475.4878000
   182.2249700
   85.13230400
   33.11569400
   17.74693000
   7.425155300
   3.844667700
   1.465228200
   .7717800500
   .3547499700
   .007426167500   .002539954100   .001171604300   .000588571000   .000243595390
   .041219102000   .013762062000   .006666531600   .003240284900   .001342563300
   .144544160000   .053353533000   .025085186000   .012576822000   .005209639000
   .334356060000   .138928290000   .069592422000   .034155320000   .014178161000
   .412067240000   .254386540000   .128948890000   .066207556000   .027551992000
   .192648580000   .117773740000   .074263841000   .036447747000   .015281485000
   .016795145000  -.508060370000  -.435364870000  -.240795630000  -.102801420000
  -.003333842000  -.593601590000  -.666205650000  -.432085820000  -.190360570000
   .001839246700  -.099044234000   .566186730000   .592586340000   .290152270000
  -.001392940900   .024218670000   .754475820000   .939012740000   .489165440000
   .000804454860  -.009615878200   .103188780000  -.667766910000  -.481288340000
  -.000493439590   .005479730200  -.014570713000  -.824742400000  -.907573970000
   .000252359310  -.002613845200   .005358257200  -.075086178000   .456891550000
  -.000148453710   .001497634000  -.002950107200   .011846246000   .816123960000
   .000035500772  -.000356024480   .000636049820  -.002444283700   .182096680000
   12    3
  826.936490      187.790270      37.7660440
   13989.03900
   3602.164600
   1269.760600
   523.1895800
   236.9983900
   114.1972500
   55.78605700
   28.92167500
   15.03802600
   7.698069000
   3.919504900
   1.808160000
   .003150438500   .001594769400   .000782742850
   .021815624000   .011099801000   .005427512200
   .090587507000   .048045242000   .023799601000
   .246507250000   .138544030000   .069425325000
   .402859020000   .247801240000   .127527720000
   .321308280000   .144868740000   .065292477000
   .086156762000  -.326023210000  -.250858730000
   .000911974110  -.573459590000  -.478769740000
   .001467124400  -.237052200000   .032038096000
  -.000772877890  -.021649860000   .645626990000
   .000240727640  -.001374696400   .448505340000
  -.000052745925   .000176695460   .055526111000
   10    2
  157.139160      24.6178040
   1561.099700
   496.5558100
   202.7635000
   93.30616600
   45.80330800
   23.40312800
   11.98274400
   6.088358900
   3.029971900
   1.343797100
   .004788579800   .002449687400
   .034870654000   .017851660000
   .134759350000   .071200225000
   .310329740000   .165102670000
   .408485820000   .201560780000
   .255029250000  -.017792639000
   .059493839000  -.384324830000
   .003715049000  -.476452060000
   .000479732520  -.219515470000
  -.000019884457  -.025789351000
    5    1
  7.04348340
   75.09387300
   24.62158500
   9.431892300
   3.680039000
   1.325093000
   .080556275000
   .301622350000
   .472334480000
   .370119610000
   .115270440000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Pt.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.16e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*PT3D-PDS(A3/91/81/5)          (A111/811/6111/41)
 16.000000         3

   13    1
   182565.6300
   24466.34700
   5007.697420
   1242.036640
   134.1921190
   71.17644590
   21.98146330
   36.30671150
   5.492301590
   5.146045190
   .8279055140
   .7212383040E-01
   .2736457370E-01
  -.000055821418
  -.000498518695
  -.002738383030
  -.009023329570
   .045619450300
   .016965198000
  -.134645869000
  -.031679179500
   .153984293000
   .146889891000
  -.533963463000
   .754792531000
   .362937428000
   10    2
   3377.955510
   797.4378980
   253.8282170
   41.77296500
   20.12816520
   13.81565210
   6.322269200
   1.251194650
   .4737737780
   .8600000000E-01
  -.003603980080   .000000000000
  -.024751532100   .000000000000
  -.067745922300   .000000000000
   .207943802000   .000000000000
   .162338669000   .000000000000
  -.195102057000   .000000000000
  -.505668253000   .000000000000
   .754375069000   .000000000000
   .394372565000   .000000000000
   .000000000000  1.000000000000
    9    2
   581.7911220
   171.8489780
   63.30711460
   12.38863700
   6.594297230
   1.477562410
   .5699134310
   .1897345840
   .6000000000E-01
   .005926659550   .000000000000
   .036650292100   .000000000000
   .080881830400   .000000000000
  -.146523804000   .000000000000
  -.156531666000   .000000000000
   .404881601000   .000000000000
   .521312108000   .000000000000
   .274388335000   .000000000000
   .000000000000  1.000000000000
    5    1
   79.36053300
   26.11177700
   10.05374300
   3.952260000
   1.428930000
   .078899088000
   .299188020000
   .473708200000
   .370439750000
   .111847450000
*
* Core AIMP: PT(3D)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   626955.0200
   147923.5100
   48883.56800
   17796.15600
   6989.857200
   2867.986900
   1164.036500
   519.4692200
   261.0486500
   99.92787400
   60.88090100
   13.80702600
   7.464733000
   2.964030000
   1.358167000

   .034471924375
   .028051292500
   .044798163125
   .070387037500
   .102905337500
   .129227981250
   .174683062500
   .309626031250
   .246496581250
   .396645381250
   .621999187500
   .898656812500
   .599658162500
   .180110931250
   .037282141875
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5272.22450      888.025590      211.267060      46.6732290      7.21069710
   165008.3200
   29908.20000
   8307.913000
   2848.761400
   1121.940500
   491.5678000
   187.4549700
   87.64930000
   34.18290000
   18.33292900
   7.694155200
   4.008577300
   1.547238300
   .8031800400
   .3633540000
   .007483324400   .002561816500   .001184115100   .000596698070   .000248151590
   .041349479000   .013811853000   .006698570500   .003268176500   .001364661500
   .144096150000   .053252181000   .025079181000   .012616989000   .005253716200
   .332776230000   .138206340000   .069321117000   .034147480000   .014283902000
   .411188980000   .253630040000   .128767360000   .066333913000   .027742502000
   .194854580000   .119718620000   .075285999000   .037156013000   .015752186000
   .017482319000  -.506589440000  -.434709850000  -.241520750000  -.103964550000
  -.003625715400  -.594572650000  -.669084480000  -.435728410000  -.193087330000
   .002030781000  -.099733859000   .563387950000   .593053480000   .292129840000
  -.001540570700   .024334806000   .757331480000   .947057570000   .498991230000
   .000898334620  -.009747131800   .104605430000  -.664242680000  -.486379800000
  -.000554148600   .005576262000  -.014846587000  -.830374280000  -.922045510000
   .000275481260  -.002585067900   .005250005100  -.075650135000   .473014970000
  -.000156491160   .001428774200  -.002788567800   .010765240000   .809055290000
   .000037142884  -.000337154770   .000590916130  -.002291785500   .183943520000
   12    3
  852.026420      194.303320      39.2855480
   13571.49500
   3507.809900
   1239.341300
   511.7004800
   232.2734000
   112.1529300
   54.78330400
   28.39739700
   14.69725500
   7.565332000
   3.863613000
   1.750100000
   .003463314700   .001758334700   .000864284090
   .023742516000   .012109691000   .005960358100
   .097281213000   .051858042000   .025784473000
   .258992910000   .146493470000   .073933478000
   .407901380000   .252550160000   .130489000000
   .306638080000   .123899480000   .053118008000
   .075066207000  -.364191630000  -.283324820000
   .000190052750  -.564726270000  -.471171480000
   .001258485800  -.209175110000   .092880176000
  -.000680453920  -.015889829000   .664465680000
   .000206323950  -.001424471700   .407601440000
  -.000041081608   .000251180420   .042214343000
   10    2
  163.075710      25.7984710
   1504.421800
   478.8609600
   195.5162400
   89.90335000
   44.10058200
   22.45379600
   11.45043000
   5.801506000
   2.852080000
   1.160860000
   .005503952400   .002832420400
   .039434898000   .020378899000
   .148822150000   .079326713000
   .329648390000   .176664890000
   .408357560000   .196597210000
   .230473990000  -.060269389000
   .046333691000  -.422026330000
   .002532374700  -.461191010000
   .000334454120  -.179119580000
  -.000031537097  -.014899524000
    5    1
  7.68432620
   79.36053300
   26.11177700
   10.05374300
   3.952260000
   1.428930000
   .078899088000
   .299188020000
   .473708200000
   .370439750000
   .111847450000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Au.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.17e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*AU2S-PDS(A3/91/81/5)          (A111/811/6111/41)
 17.000000         3

   13    1
   231411.0230
   26976.70820
   5269.633930
   1280.386450
   143.1299740
   67.10746410
   32.50951330
   16.18747620
   5.854177190
   5.295258320
   .8646913380
   .7268288160E-01
   .2751063900E-01
  -.000045241535
  -.000469521434
  -.002677369620
  -.008997820810
   .040993126500
   .031485883100
  -.107137685000
  -.084877465500
   .266643970000
   .043281022700
  -.515236854000
   .739163681000
   .374201929000
   10    2
   3495.379920
   824.8148290
   262.2649960
   42.35591610
   19.75153910
   13.32255540
   6.512756280
   1.325769330
   .5036403060
   .8900000000E-01
  -.003631414270   .000000000000
  -.025037010200   .000000000000
  -.069134870800   .000000000000
   .223351815000   .000000000000
   .142514711000   .000000000000
  -.201274451000   .000000000000
  -.502056542000   .000000000000
   .757741165000   .000000000000
   .394781089000   .000000000000
   .000000000000  1.000000000000
    9    2
   598.9581720
   176.8306820
   65.24127960
   13.04554210
   7.044966410
   1.562323060
   .6067371100
   .2044414490
   .6210000000E-01
   .006121176840   .000000000000
   .037922524800   .000000000000
   .083413230000   .000000000000
  -.144631972000   .000000000000
  -.165906058000   .000000000000
   .417794431000   .000000000000
   .517671061000   .000000000000
   .261289054000   .000000000000
   .000000000000  1.000000000000
    5    1
   84.15655900
   27.79654100
   10.76481000
   4.267947000
   1.558098100
   .076582313000
   .294858710000
   .473782630000
   .372432400000
   .110644090000
*
* Core AIMP: AU(2S)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   693176.9200
   173127.4000
   60017.71800
   22638.54600
   9066.843200
   3795.888900
   1577.131800
   670.9209200
   325.9523500
   119.1339800
   65.81769100
   14.62572600
   8.138888000
   3.251955000
   1.468040000

   .030905974118
   .023648625882
   .036889551765
   .057679508824
   .086203447059
   .112933729412
   .141539876471
   .255298041176
   .295081817647
   .303589452941
   .685978058824
   .804557294118
   .599575705882
   .174546076471
   .038631697059
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5413.66600      914.365050      218.521590      48.7075360      7.61765660
   166331.4800
   30413.25300
   8463.842600
   2904.389200
   1144.779300
   502.1511600
   192.2880800
   89.99860600
   35.14644100
   18.85162500
   7.902879900
   4.136739200
   1.590398400
   .8088110400
   .3589090000
   .007602783800   .002603569000   .001204974200   .000609912800   .000255338700
   .041666990000   .013934059000   .006769098500   .003311909400   .001402506600
   .145077190000   .053668525000   .025311152000   .012788284000   .005366221500
   .334012250000   .139074640000   .069892475000   .034532043000   .014645479000
   .410625510000   .254101720000   .129239380000   .066897339000   .028175266000
   .192959720000   .118020520000   .074602634000   .036824728000   .015971591000
   .017185746000  -.507370830000  -.436946600000  -.243627440000  -.106427880000
  -.003529549500  -.593913260000  -.669367970000  -.438504670000  -.195929130000
   .001971143400  -.099467681000   .567115390000   .602519250000   .299053060000
  -.001492287800   .024222726000   .755965380000   .947167450000   .508909550000
   .000869659720  -.009685509000   .103937520000  -.677867510000  -.512036040000
  -.000532840420   .005508346400  -.015033919000  -.823551190000  -.927531110000
   .000253890990  -.002449480300   .005036065800  -.072263645000   .538683390000
  -.000140471010   .001316992300  -.002620976900   .009975616600   .791015030000
   .000033476048  -.000311961600   .000560885510  -.002175327500   .152239250000
   12    3
  877.812100      201.245130      41.1413240
   14831.78900
   3818.440600
   1346.112700
   554.3772700
   250.9414300
   120.8504900
   59.01129800
   30.58564100
   15.87591300
   8.135428200
   4.148733300
   1.880410000
   .003120847900   .001585720500   .000784639410
   .021624873000   .011042196000   .005449204200
   .089960271000   .047887331000   .023925034000
   .245785820000   .138658840000   .070133797000
   .403173340000   .249048630000   .129316640000
   .322275580000   .145991630000   .066504887000
   .086251320000  -.329361690000  -.257246750000
   .000810518040  -.574914540000  -.484619890000
   .001468997600  -.234002460000   .042633839000
  -.000778982180  -.020384713000   .660995620000
   .000242082220  -.001351141500   .435799050000
  -.000048546045   .000245693870   .047614596000
   10    2
  169.437590      27.3109910
   1716.830500
   547.8619000
   224.5350600
   103.7052100
   51.08857800
   26.21528900
   13.50105100
   6.911815000
   3.480501000
   1.580446200
   .004408967800   .002287721300
   .032215990000   .016724556000
   .125971750000   .067465043000
   .297207960000   .160649710000
   .406592480000   .206720830000
   .270279950000   .006336076700
   .069049941000  -.365268980000
   .004744589100  -.486205570000
   .000512685940  -.235351330000
  -.000014236383  -.029752739000
    5    1
  8.65668940
   84.15655900
   27.79654100
   10.76481000
   4.267947000
   1.558098100
   .076582313000
   .294858710000
   .473782630000
   .372432400000
   .110644090000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Hg.ECP.Casarrubios.13s10p9d5f.1s2p2d1f.18e-NR-AIMP.
M.Casarrubios and L.Seijo, JCP 110(1999)784.
core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*HG1S-PDS(A3/91/81/5)          (A111/811/6111/41)
 18.000000         3

   13    1
   178598.3010
   24578.67710
   5129.710220
   1282.274150
   151.2596560
   69.42406190
   34.03737110
   16.28530690
   6.164883470
   5.189147480
   .9376086710
   .9398575250E-01
   .3501347880E-01
  -.000068288923
  -.000587104767
  -.003159516570
  -.010281654200
   .044222637000
   .042705128400
  -.127853552000
  -.099431865400
   .299897294000
   .063893487400
  -.594018676000
   .753202662000
   .383760361000
   10    2
   3601.670460
   848.6426280
   269.5586930
   43.87115470
   21.77418590
   13.81525130
   6.836941180
   1.400559490
   .5426206670
   .9300000000E-01
  -.003706519210   .000000000000
  -.025663000800   .000000000000
  -.071058446400   .000000000000
   .224566737000   .000000000000
   .128668046000   .000000000000
  -.172741736000   .000000000000
  -.525456174000   .000000000000
   .768110431000   .000000000000
   .385401261000   .000000000000
   .000000000000  1.000000000000
    9    2
   622.5833210
   183.4920990
   67.63963600
   13.39307930
   7.224076810
   1.700254090
   .6860389740
   .2436101430
   .7620000000E-01
   .006409319410   .000000000000
   .040097916400   .000000000000
   .089036075900   .000000000000
  -.159705750000   .000000000000
  -.171926058000   .000000000000
   .422347295000   .000000000000
   .520557581000   .000000000000
   .239227763000   .000000000000
   .000000000000  1.000000000000
    5    1
   89.54024200
   29.69743600
   11.57466700
   4.631744000
   1.715787000
   .073680191000
   .288745930000
   .472586730000
   .376056610000
   .111490580000
*
* Core AIMP: HG(1S)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   695586.0200
   171362.5100
   58491.66800
   21755.85600
   8670.767200
   3624.806900
   1507.526500
   654.4362200
   323.6896500
   119.8352700
   67.62290100
   15.05772600
   8.405963000
   3.379420000
   1.566477000

   .029688446667
   .023070097222
   .036485949444
   .057068438889
   .084418605556
   .108674250000
   .137212322222
   .247225405556
   .266408244444
   .292200533333
   .637317277778
   .779353166667
   .551770983333
   .158277900000
   .035272835000
M2
    0
COREREP
   1.0
PROJOP
    3
   15    5
  5557.36040      941.470100      226.273210      51.1467700      8.36403680
   175599.4500
   32197.31300
   8994.241000
   3092.702700
   1220.921700
   535.2126300
   199.7944100
   93.47751300
   36.59890500
   19.70567300
   8.313753900
   4.396144800
   1.755137900
   .9146990500
   .4183110000
   .007328962400   .002515802500   .001167253100   .000591695380   .000252634650
   .040001693000   .013352159000   .006490338900   .003192193800   .001369070300
   .139309950000   .051500931000   .024330124000   .012317447000   .005266036000
   .324658840000   .133868600000   .067222373000   .033378502000   .014340284000
   .410986630000   .250249350000   .127303270000   .065914933000   .028304367000
   .207242000000   .131575810000   .081418441000   .040854767000   .017784509000
   .020422472000  -.496668780000  -.425403480000  -.238500840000  -.105522950000
  -.004741059000  -.602331030000  -.681222370000  -.446142680000  -.203246710000
   .002767369200  -.103899120000   .542693630000   .576546860000   .292505280000
  -.002117137000   .025362133000   .772620600000   .976326550000   .531451060000
   .001273438400  -.010444110000   .111803350000  -.637996330000  -.485080840000
  -.000812650210   .006146760900  -.016587280000  -.852970040000  -.980484960000
   .000405473040  -.002855444100   .005789690000  -.083541907000   .462527420000
  -.000224396680   .001535334100  -.002985250100   .010457763000   .842577790000
   .000052748527  -.000358374830   .000623901910  -.002307265300   .185321290000
   12    3
  904.360610      208.681540      43.3978670
   15921.69800
   4093.320100
   1438.660700
   590.9362900
   266.9373600
   128.3351400
   62.72249500
   32.52027900
   16.92591700
   8.658470100
   4.424885300
   2.024720000
   .002888337300   .001468768100   .000731089430
   .020181207000   .010320210000   .005108610700
   .085117017000   .045283271000   .022728130000
   .236761510000   .133423230000   .067681672000
   .399177710000   .246206000000   .128420870000
   .332553360000   .160417050000   .075382083000
   .094590097000  -.304008620000  -.238909760000
   .001531869800  -.579735590000  -.492197150000
   .001569966800  -.252698180000   .006001050400
  -.000827689090  -.024282088000   .654831420000
   .000261141080  -.001269051100   .456729990000
  -.000052690149   .000236047370   .053263072000
   10    2
  176.290700      29.2192320
   1811.950500
   577.9188100
   236.5634100
   109.1987700
   53.80980900
   27.64128700
   14.26249400
   7.322973000
   3.703750000
   1.698570000
   .004170565800   .002178646200
   .030762414000   .016072761000
   .121808750000   .065643923000
   .291502150000   .158730050000
   .405908950000   .209097570000
   .277116230000   .016735108000
   .073474101000  -.357197980000
   .005244621100  -.490141810000
   .000530872630  -.241891970000
  -.000019461842  -.031341354000
    5    1
  10.0247550
   89.54024200
   29.69743600
   11.57466700
   4.631744000
   1.715787000
   .073680191000
   .288745930000
   .472586730000
   .376056610000
   .111490580000
*
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
*    C.3. Douglas-Kroll-Hess (No-Pair) relativistic core AIMPs:                *
********************************************************************************
********************************************************************************
*       C.3.2. Transition Metal Elements                                       *
*         C.3.2.1. First Series Transition Metal Elements (core [Ne])          *
*           /Sc.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.11e-NP-AIMP.                    *
*           /Ti.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.12e-NP-AIMP.                    *
*           /V.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.13e-NP-AIMP.                     *
*           /Cr.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.14e-NP-AIMP.                    *
*           /Mn.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.15e-NP-AIMP.                    *
*           /Fe.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.16e-NP-AIMP.                    *
*           /Co.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.17e-NP-AIMP.                    *
*           /Ni.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.18e-NP-AIMP.                    *
*           /Cu.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.19e-NP-AIMP.                    *
*           /Zn.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.20e-NP-AIMP.                    *
*         C.3.2.2. Second Series Transition Metal Elements (core [Ar,3d])      *
*           /Y.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.11e-NP-AIMP.                    *
*           /Zr.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.12e-NP-AIMP.                   *
*           /Nb.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.13e-NP-AIMP.                   *
*           /Mo.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.14e-NP-AIMP.                   *
*           /Tc.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.15e-NP-AIMP.                   *
*           /Ru.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.16e-NP-AIMP.                   *
*           /Rh.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.17e-NP-AIMP.                   *
*           /Pd.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.18e-NP-AIMP.                   *
*           /Ag.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.19e-NP-AIMP.                   *
*           /Cd.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.20e-NP-AIMP.                   *
*         C.3.2.3. Third Series Transition Metal Elements (core [Kr,4d,4f])    *
*           /Hf.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.12e-NP-AIMP.                  *
*           /Hf.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.12e-NP-AIMP.                  *
*           /Ta.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.13e-NP-AIMP.                  *
*           /Ta.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.13e-NP-AIMP.                  *
*           /W.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.14e-NP-AIMP.                   *
*           /W.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.14e-NP-AIMP.                   *
*           /Re.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.15e-NP-AIMP.                  *
*           /Re.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.15e-NP-AIMP.                  *
*           /Os.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.16e-NP-AIMP.                  *
*           /Os.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.16e-NP-AIMP.                  *
*           /Ir.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.17e-NP-AIMP.                  *
*           /Ir.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.17e-NP-AIMP.                  *
*           /Pt.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.18e-NP-AIMP.                  *
*           /Pt.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.18e-NP-AIMP.                  *
*           /Au.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.19e-NP-AIMP.                  *
*           /Au.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.19e-NP-AIMP.                  *
*           /Hg.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.20e-NP-AIMP.                  *
*           /Hg.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.20e-NP-AIMP.                  *
*       C.3.3. f-Elements                                                      *
*         C.3.3.1.a. Lanthanide Elements (core [Kr,4d])                        *
*           /Ce.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.12e-DK3-AIMP.      6s5p5d4f   *
*           /Pr.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.13e-DK3-AIMP.      6s5p5d4f   *
*           /Nd.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.14e-DK3-AIMP.      6s5p5d4f   *
*           /Pm.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.15e-DK3-AIMP.      6s5p5d4f   *
*           /Sm.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.16e-DK3-AIMP.      6s5p5d4f   *
*           /Eu.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.17e-DK3-AIMP.      6s5p5d4f   *
*           /Gd.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.18e-DK3-AIMP.      6s5p5d4f   *
*           /Tb.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.19e-DK3-AIMP.      6s5p5d4f   *
*           /Dy.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.20e-DK3-AIMP.      6s5p5d4f   *
*           /Ho.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.21e-DK3-AIMP.      6s5p5d4f   *
*           /Er.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.22e-DK3-AIMP.      6s5p5d4f   *
*           /Tm.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.23e-DK3-AIMP.      6s5p5d4f   *
*           /Yb.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.24e-DK3-AIMP.      6s5p5d4f   *
*           /Lu.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.25e-DK3-AIMP.      6s5p5d4f   *
*         C.3.3.2.a. Actinide Elements (core [Xe,4f,5d])                       *
*           /Th.ECP.Paulovic.14s10p11d9f.2s1p1d1f.12e-DK3-AIMP.     6s5p5d4f   *
*           /Pa.ECP.Paulovic.14s10p11d9f.2s1p1d1f.13e-DK3-AIMP.     6s5p5d4f   *
*           /U.ECP.Paulovic.14s10p11d9f.2s1p1d1f.14e-DK3-AIMP.      6s5p5d4f   *
*           /Np.ECP.Paulovic.14s10p11d9f.2s1p1d1f.15e-DK3-AIMP.     6s5p5d4f   *
*           /Pu.ECP.Paulovic.14s10p11d9f.2s1p1d1f.16e-DK3-AIMP.     6s5p5d4f   *
*           /Am.ECP.Paulovic.14s10p11d9f.2s1p1d1f.17e-DK3-AIMP.     6s5p5d4f   *
*           /Cm.ECP.Paulovic.14s10p11d9f.2s1p1d1f.18e-DK3-AIMP.     6s5p5d4f   *
*           /Bk.ECP.Paulovic.14s10p11d9f.2s1p1d1f.19e-DK3-AIMP.     6s5p5d4f   *
*           /Cf.ECP.Paulovic.14s10p11d9f.2s1p1d1f.20e-DK3-AIMP.     6s5p5d4f   *
*           /Es.ECP.Paulovic.14s10p11d9f.2s1p1d1f.21e-DK3-AIMP.     6s5p5d4f   *
*           /Fm.ECP.Paulovic.14s10p11d9f.2s1p1d1f.22e-DK3-AIMP.     6s5p5d4f   *
*           /Md.ECP.Paulovic.14s10p11d9f.2s1p1d1f.23e-DK3-AIMP.     6s5p5d4f   *
*           /No.ECP.Paulovic.14s10p11d9f.2s1p1d1f.24e-DK3-AIMP.     6s5p5d4f   *
*           /Lr.ECP.Paulovic.14s10p11d9f.2s1p1d1f.25e-DK3-AIMP.     6s5p5d4f   *
*         C.3.3.2.b. Actinide Elements (core [Xe,4f])                          *
*           /Th.ECP.Paulovic.14s10p12d9f.2s1p2d1f.22e-DK3-AIMP.     6s5p6d4f   *
*           /Pa.ECP.Paulovic.14s10p12d9f.2s1p2d1f.23e-DK3-AIMP.     6s5p6d4f   *
*           /U.ECP.Paulovic.14s10p12d9f.2s1p2d1f.24e-DK3-AIMP.      6s5p6d4f   *
*           /Np.ECP.Paulovic.14s10p12d9f.2s1p2d1f.25e-DK3-AIMP.     6s5p6d4f   *
*           /Pu.ECP.Paulovic.14s10p12d9f.2s1p2d1f.26e-DK3-AIMP.     6s5p6d4f   *
*           /Am.ECP.Paulovic.14s10p12d9f.2s1p2d1f.27e-DK3-AIMP.     6s5p6d4f   *
*           /Cm.ECP.Paulovic.14s10p12d9f.2s1p2d1f.28e-DK3-AIMP.     6s5p6d4f   *
*           /Bk.ECP.Paulovic.14s10p12d9f.2s1p2d1f.29e-DK3-AIMP.     6s5p6d4f   *
*           /Cf.ECP.Paulovic.14s10p12d9f.2s1p2d1f.30e-DK3-AIMP.     6s5p6d4f   *
*           /Es.ECP.Paulovic.14s10p12d9f.2s1p2d1f.31e-DK3-AIMP.     6s5p6d4f   *
*           /Fm.ECP.Paulovic.14s10p12d9f.2s1p2d1f.32e-DK3-AIMP.     6s5p6d4f   *
*           /Md.ECP.Paulovic.14s10p12d9f.2s1p2d1f.33e-DK3-AIMP.     6s5p6d4f   *
*           /No.ECP.Paulovic.14s10p12d9f.2s1p2d1f.34e-DK3-AIMP.     6s5p6d4f   *
*           /Lr.ECP.Paulovic.14s10p12d9f.2s1p2d1f.35e-DK3-AIMP.     6s5p6d4f   *
********************************************************************************
*
*
********************************************************************************
*       C.3.2. Transition Metal Elements                                       *
********************************************************************************
*
*  References:
*
*    - Frank Rakowitz, Christel M. Marian, Luis Seijo, and Ulf Wahlgren
*      Spin-free relativistic no-pair ab initio core model potentials and
*      valence basis sets for the transition metal elements Sc to Hg. Part I
*      J. Chem. Phys., 110 (1999) 3678.
*
*    - Frank Rakowitz, Christel M. Marian, and Luis Seijo
*      Spin-free relativistic no-pair ab initio core model potentials and
*      valence basis sets for the transition metal elements Sc to Hg. Part II
*      J. Chem. Phys., 111 (1999) 10436.
*
********************************************************************************
*         C.3.2.1. First Series Transition Metal Elements (core [Ne])          *
********************************************************************************
*  - 2nd order Douglas-Kroll-Hess
*  - p polarization functions:
*    S.Huzinaga (Editor), J.Andzelm, M.Klobukowski, E.Radzio, Y.Sakai,
*    and H.Tatewaki, "Gaussian Basis Sets for Molecular Calculations"
*    (Elsevier, Amsterdam, 1984).
*  - f polarization functions:
*       - Slater exponents:
*         C W Bauschlicher Jr., S R Langhoff, H Partridge, and L A Barnes,
*         J. Chem. Phys., 91 (1989) 2399
*       - 3-GTO expansion:
*         R F Stewart, J. Chem. Phys., 52 (1970) 431
********************************************************************************
/Sc.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.11e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ne] (9/51/6/3)
*SC-NP-(d1s2)2D-(9/51/6/3)
 11.000000         3

    9    5
   2585.355020
   379.2400710
   83.92443370
   7.763260000
   3.072261580
   1.305117090
   .4952391670
   .7040923250E-01
   .2768149250E-01
  .006090008370  .001500079850 /
  .038548868400  .009503186650 /
  .115745182000  .028720858600 /
 -.461299224000 -.122244057000 /
 -.338359455000 -.092394325400 /
  .640201047000  .203384092000 /
  .674203070000  .379278032000  1.0 /
  .026253504400 -.713947875000  0.0  1.0 /
 -.004160297080 -.435595598000  0.0  0.0  1.0
    6    4
   168.6754780
   38.66119230
   11.32213240
   1.298631350
   .4347326510
   .6700000000E-01
 -.017629939000 /
 -.101048397000 /
 -.230028966000 /
  .611361133000  1.0 /
  .480246892000  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    6    4
   19.40826630
   5.149424710
   1.659565380
   .5393024480
   .1611697960
   .5880000000E-01
  .026131785000 /
  .134479416000 /
  .340252580000 /
  .485486084000  1.0 /
  .336970202000  0.0  1.0 /
  .042747760600  0.0  0.0  1.0
    3    1
   .8918596649
   .3198414230
   .1369598865
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: SC-NP-(d1s2)2D-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   361581.0000
   54430.50000
   12570.40000
   3464.920000
   1085.260000
   375.7660000
   131.1390000
   42.19450000
   17.46130000
   7.825920000

   .010792459273
   .013260596636
   .024186061727
   .042800875909
   .072634024000
   .103295719091
   .107136608182
   .200293510000
   .269164295455
   .065526759000
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  333.633850      38.5206740
   595831.9500
   89262.93200
   20314.54900
   5752.758700
   1875.824900
   676.3654500
   262.8490300
   108.0394500
   45.84576200
   17.59919300
   8.175806000
   3.707319000
   1.151034000
   .4696180000
   .7344400000E-01
   .2915200000E-01
   .000377015940  -.000111626300
   .001233093400  -.000365867051
   .003990532500  -.001187185800
   .012659267000  -.003799801610
   .039237786000  -.011965161000
   .109570110000  -.034985503100
   .249300990000  -.087777504100
   .389939320000  -.174205770000
   .300079980000  -.194762150000
   .055417513000   .124383630000
  -.006474265300   .597915331000
   .002790290200   .410177791000
  -.000909038270   .030160604000
   .000334466200  -.003971686710
  -.000090784441   .001034767200
   .000043449469  -.000483913101
   11    1
  31.3685910
   3038.011200
   720.0172800
   233.1692800
   88.30313200
   36.83342500
   16.24220000
   7.413036000
   3.435458000
   1.503791000
   .6424500000
   .2579100000
   .000565759023
   .003816311220
   .019140878100
   .071302624400
   .192886921000
   .353851742000
   .380554052000
   .162787521000
   .014539020100
   .000433247132
  -.000018201333
*
Spectral Representation Operator
External primitive basis
    3
   16
   2585.355020
   379.2400710
   83.92443370
   7.763260000
   3.072261580
   1.305117090
   .4952391670
   .7040923250E-01
   .2768149250E-01
595831.950000000
89262.932000000
20314.549000000
5752.758700000
676.365450000
45.845762000
17.599193000
   11
   168.6754780
   38.66119230
   11.32213240
   1.298631350
   .4347326510
   .6700000000E-01
3038.011200000
720.017280000
88.303132000
16.242200000
3.435458000
    7
   19.40826630
   5.149424710
   1.659565380
   .5393024480
   .1611697960
   .5880000000E-01
73.620568000
    3
   .8918596649
   .3198414230
   .1369598865
Exchange
NoPair
End of Spectral Representation Operator

/Ti.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.12e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ne] (9/51/6/3)
*TI-NP-(d2s2)3F-(9/51/6/3)
 12.000000         3

    9    5
   2866.391570
   419.2789180
   92.74846200
   8.663369800
   3.459088960
   1.463062870
   .5588778320
   .7828337980E-01
   .3025153260E-01
  .006263404312  .001493412090 /
  .039448879961  .009414607493 /
  .118701574335  .028517951120 /
 -.474441311068 -.121953876576 /
 -.329943607096 -.087189349413 /
  .650482816910  .201703787739 /
  .663808210495  .362888201304  1.0 /
  .024688149167 -.693436837938  0.0  1.0 /
 -.004957429513 -.452411540422  0.0  0.0  1.0
    6    4
   190.3145320
   43.67077230
   12.85323600
   1.491738830
   .4988432200
   .7300000000E-01
 -.017697213843 /
 -.102228214173 /
 -.234955352863 /
  .614958174538  1.0 /
  .476871299047  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    6    4
   23.51654780
   6.330513980
   2.070363400
   .6865646910
   .2093152700
   .7200000000E-01
  .026293930741 /
  .137182438097 /
  .350262910046 /
  .488624812622  1.0 /
  .316495004748  0.0  1.0 /
  .034362747940  0.0  0.0  1.0
    3    1
   1.393530726
   .4997522235
   .2139998227
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: TI-NP-(d2s2)3F-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   371198.0000
   57107.40000
   13407.40000
   3738.720000
   1182.270000
   412.3320000
   144.5670000
   46.80890000
   19.49800000
   8.781450000

   .010244906583
   .012366356667
   .022422707750
   .039518527667
   .066682695083
   .094591245833
   .098405043333
   .184224022500
   .245913230000
   .058964598167
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  368.785660      43.2971920
   654125.3100
   97995.93300
   22302.01200
   6315.581100
   2059.354900
   742.5591900
   288.6052500
   118.6583200
   50.37238700
   19.28110700
   9.019332000
   4.117724000
   1.306336000
   .5300920000
   .8139900000E-01
   .3171500000E-01
   .000397558757  -.000118821430
   .001288796890  -.000386052718
   .004120759760  -.001237725000
   .012902020900  -.003911399980
   .039604446700  -.012197623000
   .110053359000  -.035515462900
   .249797798000  -.088895842600
   .389896627000  -.176331759000
   .299383417000  -.195681749000
   .055046569500   .131879889000
  -.006867624040   .601587728000
   .002903716370   .401090868000
  -.000944213602   .029392025900
   .000338789307  -.003496254890
  -.000089031552   .000912954616
   .000042354341  -.000423096588
   11    1
  35.6334310
   3401.437100
   806.1333100
   261.1079000
   98.94156500
   41.31026400
   18.24833800
   8.350739000
   3.879497000
   1.709219000
   .7324040000
   .2942170000
   .000574705817
   .003801632880
   .018990591900
   .070820781600
   .192346659000
   .354404928000
   .380763868000
   .161800779000
   .014482542900
   .000589375617
   .000005050613
*
Spectral Representation Operator
External primitive basis
    3
   16
   2866.391570
   419.2789180
   92.74846200
   8.663369800
   3.459088960
   1.463062870
   .5588778320
   .7828337980E-01
   .3025153260E-01
654125.310000000
97995.933000000
22302.012000000
6315.581100000
742.559190000
50.372387000
19.281107000
   11
   190.3145320
   43.67077230
   12.85323600
   1.491738830
   .4988432200
   .7300000000E-01
3401.437100000
806.133310000
98.941565000
18.248338000
3.879497000
    7
   23.51654780
   6.330513980
   2.070363400
   .6865646910
   .2093152700
   .7200000000E-01
89.711389000
    3
   1.393530726
   .4997522235
   .2139998227
Exchange
NoPair
End of Spectral Representation Operator

/V.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.13e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Mg] (9/51/6/3)
*V-NP-(d3s2)4F-(9/51/6/3)
 13.000000         3

    9    5
   3184.576280
   464.0916620
   102.3909980
   9.639434600
   3.832082110
   1.679582060
   .6339377070
   .8512398510E-01
   .3237452150E-01
 .00638472  .00145299 /
 .04005718  .00912492 /
 .12146809  .02786074 /
-.48311814 -.11885094 /
-.34053102 -.08600939 /
 .65413515  .19360252 /
 .67639910  .35193747  1.0 /
 .02205104 -.68701255  0.0  1.0 /
-.00799355 -.45392133  0.0  0.0  1.0
    6    4
   213.3902920
   49.02008070
   14.50045240
   1.699703650
   .5673832800
   .8000000000E-01
-.01773322 /
-.10294318 /
-.23917797 /
 .61530996  1.0 /
 .47684143  0.0  1.0 /
 .00000000  0.0  0.0  1.0
    6    4
   27.33309320
   7.429930540
   2.450862610
   .8193398060
   .2505941820
   .8200000000E-01
 .02660249 /
 .13980485 /
 .35545560 /
 .48703540 1.0 /
 .30926664 0.0  1.0 /
 .03296844 0.0  0.0  1.0
    3    1
   2.006684246
   .7196432018
   .3081597447
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: V-NP-(d3s2)4F-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   380976.0000
   59884.60000
   14293.60000
   4037.830000
   1288.090000
   452.0800000
   159.4270000
   51.88380000
   21.69030000
   9.797280000

   .009770878692
   .011586017308
   .020873185538
   .036593731308
   .061590582308
   .087091908462
   .090859442308
   .170193730000
   .226906810000
   .053764483769
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  405.716530      48.3084590
   713918.5700
   106953.7600
   24340.65000
   6892.896900
   2247.612000
   810.4592600
   315.0276400
   129.5543600
   55.01670500
   20.97445500
   9.871853200
   4.534362100
   1.465657900
   .5914314400
   .8901313500E-01
   .3411352700E-01
   .000419165077   .000126358229
   .001347797190   .000407258467
   .004261376570   .001291211390
   .013177528900   .004031736170
   .040062507700   .012451927900
   .110746369000   .036097278800
   .250633908000   .090089730400
   .389987708000   .178508279000
   .298213668000   .196125359000
   .054357699700  -.141179269000
  -.007255097750  -.605313896000
   .003014233880  -.390521887000
  -.000976932344  -.028344050800
   .000342682788   .003036974780
  -.000087414661  -.000800264015
   .000041352728   .000368332588
   11    1
  40.1193360
   3780.955100
   896.0598900
   290.2821800
   110.0521100
   45.98722600
   20.34546400
   9.331467300
   4.343209200
   1.922943000
   .8255580600
   .3317313500
   .000586012267
   .003801792580
   .018903983900
   .070527354700
   .192132699000
   .355132608000
   .380731678000
   .160586479000
   .014380026900
   .000730306317
   .000024136912
*
Spectral Representation Operator
External primitive basis
    3
   16
   3184.576280
   464.0916620
   102.3909980
   9.639434600
   3.832082110
   1.679582060
   .6339377070
   .8512398510E-01
   .3237452150E-01
713918.568
106953.758
24340.6503
6892.89690
810.459262
55.016705
20.974455
   11
   213.3902920
   49.02008070
   14.50045240
   1.699703650
   .5673832800
   .8000000000E-01
3780.95513
896.059885
110.052109
20.345464
4.343209
    7
   27.33309320
   7.429930540
   2.450862610
   .8193398060
   .2505941820
   .8200000000E-01
104.133172
    3
2.006684246
.7196432018
.3081597447
Exchange
NoPair
End of Spectral Representation Operator

/Cr.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.14e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ne] (9/51/6/3)
*CR-NP-(d5s1)7S-(9/51/6/3)
 14.000000         3

    9    5
   3464.104300
   501.9140420
   111.0784420
   10.83730900
   4.789619970
   1.710683230
   .6649322320
   .8148803060E-01
   .3077708230E-01
  .006558532870  .001385315331 /
  .040954992689  .008660131673 /
  .122506007542  .026088542559 /
 -.464338132466 -.105974868019 /
 -.298199001290 -.070298685113 /
  .643752840250  .186420918315 /
  .628183323808  .299920161989  1.0 /
  .021801297693 -.681405173906  0.0  1.0 /
 -.008694175928 -.443652824344  0.0  0.0  1.0
    6    4
   237.9090880
   54.69149070
   16.22787010
   1.892998550
   .6137309600
   .7700000000E-01
 -.017511996315 /
 -.102411242803 /
 -.239393763921 /
  .618403065879  1.0 /
  .477401874153  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    6    4
   27.60722190
   7.459927010
   2.424320230
   .7763978080
   .2175246500
   .9120000000E-01
  .030456619616 /
  .155563794257 /
  .367985479833 /
  .474585643873  1.0 /
  .314094804479  0.0  1.0 /
  .042841336208  0.0  0.0  1.0
    3    1
   2.731320224
   .9795143580
   .4194396526
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: CR-NP-(d5s1)7S-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   389446.0000
   62367.90000
   15093.00000
   4306.890000
   1384.340000
   488.4760000
   172.8100000
   56.67470000
   23.86020000
   10.81767000

   .009378636929
   .010950502714
   .019640465929
   .034303183286
   .057517398929
   .080939561429
   .084489394286
   .159100272857
   .209397807857
   .048568489786
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  444.037400      53.1159000
   763522.6400
   114385.9200
   26032.11600
   7371.905900
   2403.827800
   866.8210200
   336.9806200
   138.6272700
   58.86707800
   22.04390300
   10.44904200
   4.843688200
   1.593797600
   .6249229300
   .8847037100E-01
   .3409856600E-01
   .000447052801  -.000135834890
   .001428150200  -.000435074879
   .004474893110  -.001366783000
   .013696192000  -.004228220390
   .041276501100  -.012938628000
   .113355610000  -.037357616900
   .254766051000  -.092606436800
   .391416361000  -.182615720000
   .292562371000  -.193446210000
   .050772474100   .170177920000
  -.007951750820   .612171999000
   .003200411010   .360975089000
  -.001010919500   .024476207900
   .000338554041  -.002140180200
  -.000085420973   .000733706128
   .000041484537  -.000197618080
   11    1
  44.3941800
   4069.815300
   964.5164100
   312.4556600
   118.4728500
   49.51318900
   21.90749100
   10.04939400
   4.662319700
   2.069308000
   .8809561800
   .3477297800
   .000622050715
   .003974544270
   .019652290800
   .073060383400
   .197999118000
   .362040717000
   .377053787000
   .149382819000
   .011950544900
   .001021941490
   .000059070711
*
Spectral Representation Operator
External primitive basis
    3
   16
   3464.104300
   501.9140420
   111.0784420
   10.83730900
   4.789619970
   1.710683230
   .6649322320
   .8148803060E-01
   .3077708230E-01
763522.640000000
114385.920000000
26032.116000000
7371.905900000
866.821020000
58.867078000
22.043903000
   11
   237.9090880
   54.69149070
   16.22787010
   1.892998550
   .6137309600
   .7700000000E-01
4069.815300000
964.516410000
118.472850000
21.907491000
4.662319700
    7
   27.60722190
   7.459927010
   2.424320230
   .7763978080
   .2175246500
   .9120000000E-01
101.658390000
    3
   2.731320224
   .9795143580
   .4194396526
Exchange
NoPair
End of Spectral Representation Operator

/Mn.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.15e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ne] (9/51/6/3)
*MN-NP-(d5s2)6S-(9/51/6/3)
 15.000000         3

    9    5
   3888.340980
   560.7479070
   122.9696800
   11.57831240
   4.302344300
   2.135919800
   .7769005900
   .9907048710E-01
   .3667180710E-01
  .006607357260  .001223369160 /
  .041263256479  .007649961242 /
  .126146631789  .023571432580 /
 -.517925915723 -.105051595585 /
 -.370014015211 -.077659298568 /
  .715743091418  .176968093443 /
  .683708061905  .311424074793  1.0 /
  .000206131193 -.670274549839  0.0  1.0 /
 -.021890526696 -.463600241232  0.0  0.0  1.0
    6    4
   262.8855280
   60.45360130
   17.99949800
   2.134057060
   .7083931560
   .9200000000E-01
 -.017769466063 /
 -.104324584272 /
 -.244758360810 /
  .620708012496  1.0 /
  .472145396129  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    6    4
   35.35664760
   9.736753500
   3.247128820
   1.094517160
   .3345120450
   .1054000000
  .027109106823 /
  .144207173564 /
  .362823127186 /
  .483736119826  1.0 /
  .300248795451  0.0  1.0 /
  .031820812907  0.0  0.0  1.0
    3    1
   3.567438660
   1.279365692
   .5478395462
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: MN-NP-(d5s2)6S-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   398793.0000
   65132.40000
   15986.70000
   4608.000000
   1492.570000
   529.5830000
   188.1380000
   62.03440000
   26.23280000
   11.92895000

   .009018918000
   .010359885333
   .018503964467
   .032190187200
   .053772254400
   .075444576667
   .078877262000
   .148805570667
   .194927576000
   .044766472600
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  484.941680      59.0487590
   838614.7400
   125635.0800
   28592.19100
   8096.879500
   2640.222900
   952.0711000
   370.1429900
   152.2932100
   64.71388200
   24.44221700
   11.61120800
   5.385459700
   1.796199900
   .7170624500
   .1033488000
   .3849073500E-01
   .000465158072   .000142367100
   .001473911100   .000452296530
   .004566142420   .001405181400
   .013797309000   .004291243400
   .041156466100   .013002415000
   .112508140000   .037345730000
   .252864941000   .092563187000
   .390320021000   .182804830000
   .295026841000   .195919660000
   .052481133200  -.163096020000
  -.007928650630  -.612319930000
   .003209651810  -.366975860000
  -.001033663300  -.025767489000
   .000348329161   .002197266200
  -.000084090850  -.000603266780
   .000039497466   .000274845720
   11    1
  49.7619320
   4590.519000
   1087.882400
   352.5140900
   133.7572900
   55.97042300
   24.82608100
   11.42832700
   5.333013100
   2.377043000
   1.022428300
   .4108032600
   .000613769784
   .003832743460
   .018854892800
   .070294208300
   .192275388000
   .356785606000
   .380212996000
   .157952338000
   .014133131900
   .000962610650
   .000056240587
*
Spectral Representation Operator
External primitive basis
    3
   16
   3888.340980
   560.7479070
   122.9696800
   11.57831240
   4.302344300
   2.135919800
   .7769005900
   .9907048710E-01
   .3667180710E-01
838614.740000000
125635.080000000
28592.191000000
8096.879500000
952.071100000
64.713882000
24.442217000
   11
   262.8855280
   60.45360130
   17.99949800
   2.134057060
   .7083931560
   .9200000000E-01
4590.519000000
1087.882400000
133.757290000
24.826081000
5.333013100
    7
   35.35664760
   9.736753500
   3.247128820
   1.094517160
   .3345120450
   .1054000000
133.763437000
    3
   3.567438660
   1.279365692
   .5478395462
Exchange
NoPair
End of Spectral Representation Operator


/Fe.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.16e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ne] (9/51/6/3)
*FE-NP-(d6s2)5D-(9/51/6/3)
 16.000000         3

    9    5
   4236.424400
   610.7133440
   133.9492630
   12.60524000
   4.484714790
   2.361963330
   .8526561650
   .1080916100
   .3940643130E-01
  .006710609691  .001439850137 /
  .041523073280  .008920559475 /
  .127047644109  .027476197607 /
 -.531009773641 -.123358735506 /
 -.383790324064 -.092842583833 /
  .749369423754  .208641798251 /
  .664281916249  .323088878624  1.0 /
  .020862422369 -.661173108788  0.0  1.0 /
 -.007574389216 -.471653895650  0.0  0.0  1.0
    6    4
   289.2993250
   66.57379870
   19.89051980
   2.373788080
   .7871153080
   .9800000000E-01
 -.017848488164 /
 -.105062441437 /
 -.247455274890 /
  .622707156780  1.0 /
  .470315082218  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    6    4
   38.91054330
   10.75457590
   3.592240130
   1.203987780
   .3618918600
   .1133000000
  .028022157082 /
  .148933180577 /
  .367681580213 /
  .479797518814  1.0 /
  .298977312657  0.0  1.0 /
  .033904966222  0.0  0.0  1.0
    3    1
   4.515039554
   1.619197204
   .6933594257
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: FE-NP-(d6s2)5D-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   407567.0000
   67772.70000
   16848.20000
   4900.765000
   1598.970000
   570.3680000
   203.3630000
   67.46400000
   28.67060000
   13.07423000

   .008707923563
   .009854050812
   .017540017000
   .030396845125
   .050576731562
   .070678396875
   .073970733125
   .140023236875
   .181999935625
   .041252129312
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  527.327330      64.8680230
   906706.9700
   135836.1300
   30913.75500
   8754.314800
   2854.606200
   1029.396500
   400.2382900
   164.7107500
   70.01751600
   26.39349400
   12.57502700
   5.850310600
   1.976285200
   .7870384300
   .1124627400
   .4124384900E-01
   .000488187207   .000150436728
   .001536266690   .000474705215
   .004713605670   .001460751180
   .014085147900   .004413090150
   .041615356700   .013245007900
   .113122469000   .037853333600
   .253468328000   .093528526000
   .390224607000   .184460688000
   .294077208000   .196006148000
   .051999390700  -.170926558000
  -.008131538350  -.614823203000
   .003271852480  -.358625916000
  -.001054450590  -.024857668700
   .000350759578   .001910103680
  -.000082853577  -.000539809424
   .000038601382   .000243286827
   11    1
  55.0049990
   5020.970500
   1189.874800
   385.6032400
   146.3638800
   61.28163400
   27.21176100
   12.54573800
   5.860374400
   2.619418800
   1.128123700
   .4527217100
   .000629862129
   .003859670990
   .018875541000
   .070300335900
   .192533030000
   .357653299000
   .379822829000
   .156589580000
   .013961798000
   .001049301000
   .000074894799
*
Spectral Representation Operator
External primitive basis
    3
   16
   4236.424400
   610.7133440
   133.9492630
   12.60524000
   4.484714790
   2.361963330
   .8526561650
   .1080916100
   .3940643130E-01
906706.970000000
135836.130000000
30913.755000000
8754.314800000
1029.396500000
70.017516000
26.393494000
   11
   289.2993250
   66.57379870
   19.89051980
   2.373788080
   .7871153080
   .9800000000E-01
5020.970500000
1189.874800000
146.363880000
27.211761000
5.860374400
    7
   38.91054330
   10.75457590
   3.592240130
   1.203987780
   .3618918600
   .1133000000
145.816922000
    3
   4.515039554
   1.619197204
   .6933594257
Exchange
NoPair
End of Spectral Representation Operator


/Co.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.17e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ne] (9/51/6/3)
*CO-NP-(d7s2)4F-(9/51/6/3)
 17.000000         3

    9    5
   4662.387760
   668.1653380
   146.0056630
   13.66420240
   4.793883420
   2.509662820
   .9160441320
   .1177452230
   .4230352200E-01
  .006766738948  .001430320070 /
  .041743737072  .008835765838 /
  .128581524825  .027393077015 /
 -.545225800049 -.124802825597 /
 -.361568646851 -.086652029974 /
  .766754049412  .213389456292 /
  .637790814602  .308892121383  1.0 /
  .019267540835 -.647014583479  0.0  1.0 /
 -.006840709665 -.485586705960  0.0  0.0  1.0
    6    4
   317.5052130
   73.08149340
   21.88772620
   2.623296440
   .8683409190
   .1050000000
 -.017868725291 /
 -.105525330991 /
 -.249733157760 /
  .624229938718  1.0 /
  .468992278385  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    6    4
   43.11518320
   11.95000490
   3.996230430
   1.335298840
   .3972473550
   .1219000000
  .028360415343 /
  .151458232776 /
  .370737281926 /
  .477541252400  1.0 /
  .298235507889  0.0  1.0 /
  .035275010760  0.0  0.0  1.0
    3    1
   5.574122906
   1.999008894
   .8559992909
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: CO-NP-(d7s2)4F-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   416074.0000
   70387.80000
   17709.70000
   5193.930000
   1706.130000
   611.7020000
   218.8180000
   73.03680000
   31.19070000
   14.25990000

   .008432650412
   .009405588529
   .016696041118
   .028834336824
   .047782483471
   .066481415882
   .069639118824
   .132349582353
   .170500415294
   .038113661529
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  571.515630      70.9284140
   976441.4900
   146283.4000
   33291.37700
   9427.629700
   3074.170600
   1108.593700
   431.0657700
   177.4344500
   75.45392500
   28.37069100
   13.54927600
   6.320052000
   2.159657000
   .8574970000
   .1209980000
   .4376500000E-01
   .000512217012  -.000158850369
   .001601495010  -.000498079738
   .004869180320  -.001518889890
   .014396264100  -.004541950880
   .042135611100  -.013504338900
   .113868180000  -.038397888800
   .254268541000  -.094543022600
   .390182991000  -.186139499000
   .292836901000  -.195760519000
   .051345765200   .179837149000
  -.008315413130   .617217887000
   .003327932010   .349443558000
  -.001072586300   .023800864900
   .000352140991  -.001625749890
  -.000081401084   .000477625258
   .000037703462  -.000213397089
   11    1
  60.4697250
   5468.584300
   1295.932700
   420.0117200
   159.4747400
   66.80670300
   29.69482200
   13.70911400
   6.408921000
   2.870802000
   1.237275000
   .4960250000
   .000647216916
   .003892830870
   .018919463900
   .070367737500
   .192878209000
   .358519788000
   .379355458000
   .155243189000
   .013798609900
   .001128044490
   .000090489471
*
Spectral Representation Operator
External primitive basis
    3
   16
   4662.387760
   668.1653380
   146.0056630
   13.66420240
   4.793883420
   2.509662820
   .9160441320
   .1177452230
   .4230352200E-01
976441.490000000
146283.400000000
33291.377000000
9427.629700000
1108.593700000
75.453925000
28.370691000
   11
   317.5052130
   73.08149340
   21.88772620
   2.623296440
   .8683409190
   .1050000000
5468.584300000
1295.932700000
159.474740000
29.694822000
6.408921000
    7
   43.11518320
   11.95000490
   3.996230430
   1.335298840
   .3972473550
   .1219000000
159.628555000
    3
   5.574122906
   1.999008894
   .8559992909
Exchange
NoPair
End of Spectral Representation Operator

/Ni.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.18e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Mg] (9/51/6/3)
*NI-NP-(d8s2)3F-(9/51/6/3)
 18.000000         3

    9    5
   5089.646460
   725.7511020
   158.2903950
   14.85257060
   5.356303090
   2.688411560
   .9964027680
   .1263515120
   .4482618880E-01
 .00682509  .00156313 /
 .04188647  .00960578 /
 .12932047  .02983185 /
-.54724659 -.13491686 /
-.32936464 -.08441261 /
 .74239299  .22119021 /
 .62395435  .31249915 1.0 /
 .03206999 -.63964030 0.0  1.0 /
 .00282188 -.49068653 0.0  0.0  1.0
    6    4
   346.8420380
   79.85038550
   23.97131840
   2.885001650
   .9532555660
   .1110000000
-.01790552 /
-.10597629 /
-.25166859 /
 .62527813 1.0 /
 .46817466 0.0  1.0 /
 .00000000 0.0  0.0  1.0
    6    4
   47.29872870
   13.15250580
   4.406537430
   1.469819060
   .4338973250
   .1316000000
 .02886851 /
 .15427250 /
 .37373955 /
 .47528397 1.0 /
 .29655134 0.0  1.0 /
 .03623746 0.0  0.0  1.0
    3    1
   6.744688716
   2.418800762
   1.035759142
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: NI-NP-(d8s2)3F-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   418107.0000
   71736.40000
   18293.70000
   5421.660000
   1795.220000
   647.8480000
   232.5250000
   78.31970000
   33.67910000
   15.45123000

   .008253925889
   .009088406944
   .016024321111
   .027603891333
   .045472860722
   .062781511111
   .065759431111
   .125964145000
   .159637752222
   .034969309722
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  617.521420      77.2402170
   1048516.600
   157081.2800
   35748.78600
   10123.53900
   3301.103500
   1190.450200
   462.9309300
   190.5894300
   81.07763100
   30.41230500
   14.55088500
   6.801348000
   2.348322000
   .9297280000
   .1294920000
   .4623100000E-01
   .000536961748  -.000167525341
   .001668573090  -.000522119982
   .005029235980  -.001578544010
   .014718217900  -.004674066220
   .042678238800  -.013768782000
   .114645520000  -.038945048100
   .255092139000  -.095539054300
   .390122979000  -.187743431000
   .291540719000  -.195347521000
   .050674493800   .188778391000
  -.008465005670   .619329952000
   .003373908490   .340441521000
  -.001087706300   .022743550100
   .000352792829  -.001364546800
  -.000079894288   .000421431541
   .000036813465  -.000186745201
   11    1
  66.1647380
   5933.625500
   1406.119000
   455.7599900
   173.0976500
   72.54892100
   32.27677000
   14.91925500
   6.979234000
   3.131791000
   1.350401000
   .5408260000
   .000665707974
   .003931224720
   .018982009100
   .070481735400
   .193283611000
   .359368082000
   .378831142000
   .153932831000
   .013645401100
   .001199166210
   .000104006761
*
Spectral Representation Operator
External primitive basis
    3
   16
   5089.646460
   725.7511020
   158.2903950
   14.85257060
   5.356303090
   2.688411560
   .9964027680
   .1263515120
   .4482618880E-01
1048516.58
157081.277
35748.7860
10123.5388
1190.45023
81.077631
30.412305
   11
   346.8420380
   79.85038550
   23.97131840
   2.885001650
   .9532555660
   .1110000000
5933.62549
1406.11899
173.097654
32.276770
6.979234
    7
   47.29872870
   13.15250580
   4.406537430
   1.469819060
   .4338973250
   .1316000000
174.165158
    3
6.7446890
2.4188007
1.0357592
Exchange
NoPair
End of Spectral Representation Operator

/Cu.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.19e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ne] (9/51/6/3)
*CU-NP-(d10s1)2S-(9/51/6/3)
 19.000000         3

    9    5
   5598.918110
   793.2846440
   171.8563760
   16.07561560
   6.070919220
   2.800243640
   1.067587320
   .1351741530
   .4731224300E-01
  .006831131382  .001211878407 /
  .041843408871  .007428417888 /
  .130569092544  .023355107025 /
 -.551534491301 -.106548498374 /
 -.277667098727 -.048844581139 /
  .707034827960  .152696881714 /
  .617475087992  .259711194491  1.0 /
  .024876242148 -.386676158271  0.0  1.0 /
 -.008819718836 -.718111392220  0.0  0.0  1.0
    6    4
   378.1217330
   87.02380010
   26.16746250
   3.155653050
   1.040678150
   .1170000000
 -.017774701316 /
 -.105537632747 /
 -.251439934546 /
  .616869262087  1.0 /
  .476992428296  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    6    4
   51.71110310
   14.42072630
   4.839672140
   1.612353830
   .4728070130
   .1491000000
  .027940052851 /
  .149399427325 /
  .358409224544 /
  .456123952812  1.0 /
  .323405376465  0.0  1.0 /
  .083392940099  0.0  0.0  1.0
    3    1
   8.026736984
   2.878572807
   1.232638979
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: CU-NP-(d10s1)2S-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   427693.0000
   74760.30000
   19305.80000
   5764.110000
   1917.910000
   694.0140000
   249.7900000
   84.55750000
   36.48070000
   16.75313000

   .008011103105
   .008682253474
   .015276311053
   .026257284211
   .043180338947
   .059468622105
   .062275402632
   .119504946316
   .150874160000
   .032785368158
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  664.899420      83.3046870
   1088937.300
   163139.0600
   37127.57300
   10514.03700
   3428.511700
   1236.491300
   480.9513900
   198.1330900
   84.32648700
   30.83465000
   14.69373000
   6.885249800
   2.442658800
   .9432256800
   .1079681300
   .3903883200E-01
   .000575832806  -.000180673090
   .001782081190  -.000560992450
   .005340411560  -.001685814300
   .015519805900  -.004963933800
   .044672010700  -.014503589000
   .119052149000  -.040863542000
   .261999978000  -.099161552100
   .392008207000  -.193073900000
   .281577578000  -.188113590000
   .045010523700   .238855300000
  -.008780968640   .626184360000
   .003499270170   .291617430000
  -.001125357090   .016734216000
   .000339334098  -.000340249670
  -.000069623880   .000213453510
   .000034030421  -.000100878370
   11    1
  71.5988110
   6272.263000
   1486.375700
   481.7579700
   182.9763600
   76.69030100
   34.11547600
   15.76217100
   7.345832400
   3.296158800
   1.411113400
   .5558244400
   .000706912251
   .004116311610
   .019746723000
   .072981280100
   .198896680000
   .365480270000
   .374935300000
   .144238270000
   .011584022000
   .001365510800
   .000133055670
*
Spectral Representation Operator
External primitive basis
    3
   16
   5598.918110
   793.2846440
   171.8563760
   16.07561560
   6.070919220
   2.800243640
   1.067587320
   .1351741530
   .4731224300E-01
1088937.300000000
163139.060000000
37127.573000000
10514.037000000
1236.491300000
84.326487000
30.834650000
   11
   378.1217330
   87.02380010
   26.16746250
   3.155653050
   1.040678150
   .1170000000
6272.263000000
1486.375700000
182.976360000
34.115476000
7.345832400
    7
   51.71110310
   14.42072630
   4.839672140
   1.612353830
   .4728070130
   .1491000000
169.317486000
    3
   8.026736984
   2.878572807
   1.232638979
Exchange
NoPair
End of Spectral Representation Operator

/Zn.ECP.Rakowitz.9s6p6d3f.5s4p4d1f.20e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ne] (9/51/6/3)
*ZN-NP-(d10s2)1S-(9/51/6/3)
 20.000000         3

    9    5
   6050.717480
   857.2124820
   185.3081730
   17.28532200
   6.116064930
   3.112983680
   1.160116390
   .1427804900
   .4940965170E-01
  .006968481691  .001406432777 /
  .042292684981  .008549257143 /
  .132269844528  .026902837795 /
 -.566621158100 -.123912861926 /
 -.313490812806 -.071799979450 /
  .760368578796  .205644941166 /
  .613344113150  .282642925860  1.0 /
  .019056502214 -.632406349380  0.0  1.0 /
 -.006847073187 -.494972443070  0.0  0.0  1.0
    6    4
   410.4944170
   94.47335590
   28.45851260
   3.439429860
   1.131802430
   .1230000000
 -.017919359609 /
 -.106485479804 /
 -.254874915876 /
  .627349986390  1.0 /
  .466494972684  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    6    4
   56.35081000
   15.75820370
   5.297789260
   1.764375210
   .5152591020
   .1563000000
  .029626547647 /
  .158588529788 /
  .378242722051 /
  .471911617944  1.0 /
  .293209647152  0.0  1.0 /
  .037448975440  0.0  0.0  1.0
    3    1
   9.420267711
   3.378325031
   1.446638802
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: ZN-NP-(d10s2)1S-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   10
   436495.0000
   77562.90000
   20214.90000
   6064.130000
   2028.770000
   737.7370000
   266.1030000
   90.51100000
   39.22580000
   18.06178000

   .007798679050
   .008338640800
   .014685366350
   .025174426150
   .041182581800
   .056440140500
   .059245510000
   .114239309500
   .142410600500
   .030484745050
M2
    0
COREREP
   1.0
PROJOP
    1
   16    2
  715.037790      90.6488860
   1199478.900
   179697.6500
   40895.87800
   11581.13500
   3776.422600
   1361.907500
   529.6844800
   218.1574800
   92.87265400
   34.68115100
   16.63109200
   7.795164000
   2.740397000
   1.078892000
   .1460720000
   .5092600000E-01
   .000588746167  -.000185722979
   .001808634790  -.000572366697
   .005363406170  -.001702791490
   .015395473900  -.004949054170
   .043832869800  -.014316067900
   .116301549000  -.040056579800
   .256818779000  -.097496726500
   .389947558000  -.190767309000
   .288769709000  -.194039079000
   .049278175700   .206810099000
  -.008675074750   .622794816000
   .003438771880   .322841538000
  -.001110063490   .020615346900
   .000352024388  -.000897296995
  -.000076625188   .000323042498
   .000035012370  -.000140959879
   11    1
  78.2697490
   6916.446800
   1638.985200
   531.3114100
   201.8932600
   84.69062000
   37.74000000
   17.48101200
   8.185728000
   3.682760000
   1.588562000
   .6349870000
   .000705821935
   .004021384030
   .019152174100
   .070816433500
   .194216481000
   .360987182000
   .377673003000
   .151436781000
   .013358293100
   .001319107810
   .000126880791
*
Spectral Representation Operator
External primitive basis
    3
   16
   6050.717480
   857.2124820
   185.3081730
   17.28532200
   6.116064930
   3.112983680
   1.160116390
   .1427804900
   .4940965170E-01
1199478.900000000
179697.650000000
40895.878000000
11581.135000000
1361.907500000
92.872654000
34.681151000
   11
   410.4944170
   94.47335590
   28.45851260
   3.439429860
   1.131802430
   .1230000000
6916.446800000
1638.985200000
201.893260000
37.740000000
8.185728000
    7
   56.35081000
   15.75820370
   5.297789260
   1.764375210
   .5152591020
   .1563000000
205.672361000
    3
   9.420267711
   3.378325031
   1.446638802
Exchange
NoPair
End of Spectral Representation Operator

*
********************************************************************************
*         C.3.2.2. Second Series Transition Metal Elements (core [Ar,3d])      *
********************************************************************************
*  - 2nd order Douglas-Kroll-Hess
*  - p polarization functions:
*    S.Huzinaga (Editor), J.Andzelm, M.Klobukowski, E.Radzio, Y.Sakai,
*    and H.Tatewaki, "Gaussian Basis Sets for Molecular Calculations"
*    (Elsevier, Amsterdam, 1984).
*  - f polarization functions:
*       - Slater exponents:
*         S P Walch, C W Bauschlicher Jr., and C J Nelin,
*         J. Chem. Phys., 79 (1983) 3600
*       - 3-GTO expansion:
*         R F Stewart, J. Chem. Phys., 52 (1970) 431
********************************************************************************
*
/Y.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.11e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ar,3d] (A1/71/7/3)
*Y-NP-(d1s2)2D-(A1/71/7/3)
 11.000000         3

   11    5
   11780.26620
   1581.698390
   332.9744130
   32.46506950
   14.58111210
   5.541825850
   2.718202630
   .9071977620
   .3971471990
   .6287188660E-01
   .2545032000E-01
 -.002980517699 -.000860950591 /
 -.017207789632 -.004973191765 /
 -.054554778454 -.015780533610 /
  .239632484566  .070223779223 /
  .111261269410  .033201025812 /
 -.424284982005 -.132298410399 /
 -.553673119977 -.184096454796 /
  .585555780341  .242771954191 /
  .727270965599  .456922179131  1.0 /
  .039406429245 -.782894961763  0.0  1.0 /
 -.006100130483 -.395117638745  0.0  0.0  1.0
    8    4
   770.3180620
   176.6800460
   54.05224290
   8.305175940
   4.349613910
   .8203002190
   .2988208000
   .5600000000E-01
  .006625761038 /
  .039522426997 /
  .097129707121 /
 -.193071793196 /
 -.233420932588 /
  .665111040106  1.0 /
  .451474330031  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    7    4
   79.67964610
   22.28106600
   7.266894900
   .8546457190
   .2869656210
   .8877811890E-01
   .3160000000E-01
 -.012882375485 /
 -.061089913159 /
 -.106880911741 /
  .287412237769 /
  .508398301252  1.0 /
  .407513832128  0.0  1.0 /
  .050064170176  0.0  0.0  1.0
    3    1
   .6443686079
   .2310854281
   .9895351803E-01
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: Y-NP-(d1s2)2D-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   537147.0000
   112406.0000
   33192.30000
   10945.30000
   3929.100000
   1509.880000
   595.1290000
   225.7790000
   98.25900000
   43.73970000
   14.69430000
   7.176250000
   3.270880000

   .021988664636
   .020249713455
   .033942238818
   .055584269364
   .087966784455
   .124410659091
   .145530209091
   .224270210909
   .390872927273
   .224080080000
   .578598791818
   .556716339091
   .081243657000
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1258.98690      177.698300      30.6169900
   7941148.200
   1189204.800
   270633.0400
   76653.79400
   25006.02700
   9026.651700
   3520.119200
   1459.513200
   636.0624100
   288.7495400
   134.3138800
   56.19637300
   27.68537600
   13.56121200
   5.733886900
   2.674301000
   .8034450300
   .3565259500
   .6415133600E-01
   .2615101200E-01
   .000311855180  -.000102433330   .000042343708
   .000879953040  -.000289577650   .000119750469
   .002294101900  -.000756641950   .000312883699
   .005593552900  -.001856700300   .000769020096
   .013398557000  -.004477654100   .001853520690
   .032083296000  -.010944945000   .004554634580
   .075416532000  -.026431880000   .010997827900
   .163566010000  -.061766266000   .026104608900
   .291809820000  -.124910540000   .053339998800
   .350990610000  -.199954860000   .090104831600
   .205961930000  -.135391020000   .062466319700
   .029364805000   .294669770000  -.173844009000
  -.003844339100   .595786250000  -.523070468000
   .001733176400   .271794020000  -.209348159000
  -.000784220060   .019226324000   .714904207000
   .000311325790  -.000173632730   .571858427000
  -.000108544170   .000028641860   .035506801800
   .000052684680  -.000067540834  -.006735157570
  -.000013846383   .000009047433   .001537932290
   .000006421994  -.000004251982  -.000691023577
   14    2
  157.826060      23.9617550
   19048.50800
   4511.795100
   1464.688100
   559.0864500
   236.3017300
   107.0072800
   50.67675600
   24.68880500
   11.85371500
   5.686095800
   2.726293000
   1.143384100
   .5006228300
   .2024854800
   .000544679340  -.000231122400
   .002437562300  -.001037127400
   .010485605000  -.004500760800
   .038549226000  -.016772495000
   .115308090000  -.051910810000
   .258029260000  -.121572710000
   .383246340000  -.193144630000
   .296811720000  -.109383630000
   .081773836000   .250431750000
   .003252466800   .536492470000
   .001293622900   .327415660000
  -.000377737230   .039214017000
   .000161654290  -.002102969500
  -.000047030998   .000582213380
   11    1
  12.9688450
   716.5803000
   215.6365500
   83.44281100
   36.16740500
   16.73513200
   7.916338300
   3.750417200
   1.720679800
   .6599785600
   .2402512700
   .8012253400E-01
   .000946434097
   .007711432870
   .037285906900
   .120306910000
   .261245879000
   .371283779000
   .326621979000
   .133162040000
   .012781112000
  -.000647115858
   .000243066169
*
Spectral Representation Operator
External primitive basis
    3
   20
   11780.26620
   1581.698390
   332.9744130
   32.46506950
   14.58111210
   5.541825850
   2.718202630
   .9071977620
   .3971471990
   .6287188660E-01
   .2545032000E-01
7941148.200000000
1189204.800000000
270633.040000000
76653.794000000
25006.027000000
3520.119200000
636.062410000
134.313880000
56.196373000
   14
   770.3180620
   176.6800460
   54.05224290
   8.305175940
   4.349613910
   .8203002190
   .2988208000
   .5600000000E-01
19048.508000000
4511.795100000
1464.688100000
107.007280000
24.688805000
2.726293000
   10
   79.67964610
   22.28106600
   7.266894900
   .8546457190
   .2869656210
   .8877811890E-01
   .3160000000E-01
716.580300000
215.636550000
3.750417200
    3
   .6443686079
   .2310854281
   .9895351803E-01
Exchange
NoPair
End of Spectral Representation Operator

/Zr.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.12e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ar,3d] (A1/71/7/3)
*ZR-NP-(d2s2)3F-(A1/71/7/3)
 12.000000         3

   11    5
   12534.54140
   1672.804240
   352.6497390
   33.94089520
   13.79577480
   6.157733180
   2.800859010
   1.123191330
   .4517292030
   .6573370060E-01
   .2695838180E-01
 -.003129635427 -.000876250621 /
 -.017920843985 -.005019977914 /
 -.056446402072 -.015829963843 /
  .259539038142  .073937880228 /
  .128111741680  .036657985357 /
 -.465000319218 -.139078118087 /
 -.632023198180 -.210972320631 /
  .612885939595  .252646487126 /
  .781719994261  .453070909413  1.0 /
  .033829315940 -.808455232640  0.0  1.0 /
 -.007367788721 -.356603838558  0.0  0.0  1.0
    8    4
   820.1684030
   187.9257990
   57.51190710
   8.880776800
   4.752701310
   .9105253770
   .3273176430
   .5900000000E-01
  .006909138688 /
  .041201354316 /
  .101625040619 /
 -.200348794313 /
 -.242107363119 /
  .689258331984  1.0 /
  .431178680511  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    7    4
   87.47660790
   24.54251730
   8.068624510
   .9677737760
   .3209841250
   .9648821550E-01
   .3820000000E-01
 -.015090675604 /
 -.072907937432 /
 -.129517690678 /
  .363205427407 /
  .560708724710  1.0 /
  .293799166408  0.0  1.0 /
  .000612551542  0.0  0.0  1.0
    3    1
   1.042674528
   .3739271074
   .1601200174
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: ZR-NP-(d2s2)3F-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   553364.0000
   118731.0000
   35734.40000
   11942.80000
   4326.720000
   1673.100000
   665.6290000
   254.0220000
   109.6750000
   49.94270000
   16.27550000
   7.999010000
   3.696700000

   .020389661667
   .018331944750
   .030533984417
   .049791303833
   .078678955333
   .111942713333
   .131751853333
   .196292890833
   .354150546667
   .218259602500
   .512037153333
   .531135804167
   .080036917917
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1329.78400      189.558880      33.3660830
   8442591.800
   1264281.300
   287717.2700
   81492.87900
   26584.71000
   9596.524600
   3742.330400
   1551.624200
   676.1776000
   306.9216400
   142.7400500
   59.87214100
   29.57709700
   14.51881700
   6.157873200
   2.900912100
   .9010841900
   .3996893000
   .7204834900E-01
   .2878068900E-01
   .000322471121  -.000106358041  -.000044310291
   .000907042111  -.000299732172  -.000124920900
   .002354028600  -.000779690144  -.000324944610
   .005708416110  -.001902922710  -.000794358851
   .013578756000  -.004558099520  -.001901709600
   .032268779100  -.011057561100  -.004637983010
   .075334114100  -.026524017100  -.011123714000
   .162746950000  -.061705352300  -.026288200000
   .290304930000  -.124622881000  -.053635854100
   .350802431000  -.199776801000  -.090743642100
   .208027480000  -.136986641000  -.063658994100
   .030264282000   .289339811000   .172224740000
  -.003944276210   .594767593000   .525472771000
   .001786901700   .277439351000   .218657600000
  -.000818092821   .020127124100  -.715127361000
   .000333282751  -.000300898852  -.575242401000
  -.000116579240   .000036017361  -.036997990100
   .000055075664  -.000073209759   .006529804110
  -.000014048602   .000009511131  -.001469114600
   .000006407518  -.000004365130   .000648438001
   14    2
  168.660740      26.3417100
   20443.15800
   4841.963800
   1571.906400
   600.0994300
   253.7052100
   114.9516300
   54.48893600
   26.58473200
   12.81407000
   6.176362600
   2.983179600
   1.272344700
   .5614067100
   .2276904800
   .000553669747  -.000237388822
   .002432962190  -.001046181510
   .010351232900  -.004489508740
   .037865296800  -.016649008200
   .113287309000  -.051514537500
   .254656059000  -.121224751000
   .381689228000  -.194254442000
   .300520198000  -.114653391000
   .085317628500   .243768322000
   .003649050780   .537904845000
   .001297162090   .331158513000
  -.000395157408   .040452239400
   .000160711139  -.001879302020
  -.000048176431   .000568326055
   11    1
  14.7817470
   745.6912900
   224.4307800
   86.84047500
   37.64104500
   17.41336600
   8.232333500
   3.905805000
   1.801713000
   .7331742100
   .2825000400
   .9946416000E-01
   .001008424000
   .008173232440
   .039365935200
   .126363381000
   .271113891000
   .378243792000
   .316671791000
   .115531940000
   .009595216240
  -.000021178953
   .000083023120
*
Spectral Representation Operator
External primitive basis
    3
   20
   12534.54140
   1672.804240
   352.6497390
   33.94089520
   13.79577480
   6.157733180
   2.800859010
   1.123191330
   .4517292030
   .6573370060E-01
   .2695838180E-01
8442591.800000000
1264281.300000000
287717.270000000
81492.879000000
26584.710000000
3742.330400000
676.177600000
142.740050000
59.872141000
   14
   820.1684030
   187.9257990
   57.51190710
   8.880776800
   4.752701310
   .9105253770
   .3273176430
   .5900000000E-01
20443.158000000
4841.963800000
1571.906400000
114.951630000
26.584732000
2.983179600
   10
   87.47660790
   24.54251730
   8.068624510
   .9677737760
   .3209841250
   .9648821550E-01
   .3820000000E-01
745.691290000
224.430780000
3.905805000
    3
   1.042674528
   .3739271074
   .1601200174
Exchange
NoPair
End of Spectral Representation Operator

/Nb.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.13e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ar,3d] (A1/71/7/3)
*NB-NP-(d4s1)6D-(A1/71/7/3)
 13.000000         3

   11    5
   13656.71830
   1809.437280
   375.3673700
   36.70171010
   17.96354480
   7.060537340
   3.656466860
   1.065788290
   .4944279190
   .7405104960E-01
   .2968803960E-01
-.00317972 -.00084169 /
-.01820334 -.00482146 /
-.05834630 -.01546936 /
 .24688472  .06644788 /
 .12625146  .03465106 /
-.31278863 -.09004577 /
-.67816476 -.20567492 /
 .56437015  .22611761 /
 .73617085  .41918621  1.0 /
 .03678124 -.73693580  0.0  1.0 /
-.01726555 -.42813995  0.0  0.0  1.0
    8    4
   871.0808910
   199.4664920
   61.08228410
   9.452141110
   5.145699590
   1.008927590
   .3638917580
   .6500000000E-01
 .00710494 /
 .04229626 /
 .10466297 /
-.20739456 /
-.24422298 /
 .68447670  1.0 /
 .43791211  0.0  1.0 /
 .00000000  0.0  0.0  1.0
    7    4
   95.20939840
   26.78514490
   8.870960740
   1.111987770
   .3810980690
   .1172141280
   .3310000000E-01
-.01495368 /
-.07315873 /
-.13174620 /
 .34744418 /
 .52555404  1.0 /
 .33838586  0.0  1.0 /
 .03143833  0.0  0.0  1.0
    3    1
   1.521770392
   .5457419219
   .2336931564
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: NB-NP-(d4s1)6D-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   577190.0000
   127465.0000
   39223.80000
   13324.30000
   4880.590000
   1899.100000
   759.4990000
   289.9180000
   123.4300000
   57.07240000
   18.02790000
   8.892600000
   4.154680000

   .018883339385
   .016517995154
   .027278463000
   .044244528154
   .069863027846
   .100635341538
   .120660662308
   .172344163846
   .321076827692
   .218018162308
   .453395421538
   .511003450000
   .079924771538
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1402.40390      201.556420      35.9336950
   8943850.300
   1339329.200
   304790.7700
   86326.53400
   28160.84700
   10165.26200
   3964.048100
   1643.530100
   716.2175900
   325.0784100
   151.1773600
   63.53678500
   31.45781200
   15.47068000
   6.585410500
   3.130700900
   1.000218800
   .4421080800
   .7894811600E-01
   .3101389800E-01
   .000333902188  -.000110576420   .000046401519
   .000936321475  -.000310676291   .000130420529
   .002419477490  -.000804709733   .000337807689
   .005836872670  -.001953978310   .000821601877
   .013792704900  -.004650321520   .001954374390
   .032538984800  -.011200270000   .004732316780
   .075449919600  -.026687300100   .011274750000
   .162298119000  -.061799524200   .026524527900
   .289199558000  -.124557981000   .054003458800
   .350457928000  -.199726131000   .091400082600
   .209387279000  -.137823641000   .064473826700
   .030927171800   .286157241000  -.171951759000
  -.004026442880   .593726562000  -.528260748000
   .001833118990   .281149111000  -.224999629000
  -.000848691535   .020703978100   .717121667000
   .000353216648  -.000387328762   .576445178000
  -.000123272579   .000035097167   .037912348800
   .000056526814  -.000073135269  -.006118210380
  -.000014026038   .000005625193   .001366195690
   .000006325575  -.000005938843  -.000623216037
   14    2
  179.587990      28.5301640
   21860.63200
   5177.612200
   1680.916600
   641.8000000
   271.4022300
   123.0308700
   58.36743000
   28.51454700
   13.79141500
   6.676285300
   3.245833300
   1.404310000
   .6228816800
   .2533146300
   .000564357189  -.000244333900
   .002437099800  -.001058370800
   .010256947000  -.004492266290
   .037323363900  -.016573158000
   .111626260000  -.051242319900
   .251819290000  -.121040110000
   .380268589000  -.195335240000
   .303552470000  -.119078490000
   .088384650900   .238287640000
   .004011130190   .539457469000
   .001294847700   .333825169000
  -.000412543629   .041233186900
   .000157273520  -.001551753500
  -.000051306945   .000625663979
   11    1
  16.3981990
   778.3918800
   234.3100600
   90.66412700
   39.30431200
   18.18014900
   8.589402200
   4.074453100
   1.873663300
   .7924397900
   .3159521000
   .1145512600
   .001062906410
   .008570648240
   .041160977200
   .131595411000
   .279697891000
   .384360012000
   .307871581000
   .100432920000
   .006686089730
   .000460842512
  -.000045874119
*
Spectral Representation Operator
External primitive basis
    3
   20
   13656.71830
   1809.437280
   375.3673700
   36.70171010
   17.96354480
   7.060537340
   3.656466860
   1.065788290
   .4944279190
   .7405104960E-01
   .2968803960E-01
8943850.33
1339329.25
304790.766
86326.5335
28160.8472
3964.04811
716.217589
151.177356
63.536785
   14
   871.0808910
   199.4664920
   61.08228410
   9.452141110
   5.145699590
   1.008927590
   .3638917580
   .6500000000E-01
21860.6316
5177.61220
1680.91657
123.030870
28.514547
3.245833
   10
   95.20939840
   26.78514490
   8.870960740
   1.111987770
   .3810980690
   .1172141280
   .3310000000E-01
778.391883
234.310059
4.074453
    3
1.52177046
.545741912
.233693163
Exchange
NoPair
End of Spectral Representation Operator

/Mo.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.14e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ar,3d] (A1/71/7/3)
*MO-NP-(d5s1)7S-(A1/71/7/3)
 14.000000         3

   11    5
   14940.00690
   1969.957970
   401.1956720
   37.95228630
   17.35635450
   6.721829470
   3.319131570
   1.367857640
   .5721708270
   .8074138840E-01
   .3177000470E-01
 -.003205699988 -.000845823770 /
 -.018347868664 -.004844085954 /
 -.060079132419 -.015879326732 /
  .271112732438  .072889326409 /
  .115729165194  .031600114746 /
 -.489038140847 -.141076729321 /
 -.614473942596 -.192642489962 /
  .561961248960  .219553965203 /
  .830823273906  .451484552841  1.0 /
  .042665927506 -.726752547884  0.0  1.0 /
 -.020224056806 -.433856581519  0.0  0.0  1.0
    8    4
   924.7045670
   211.5628380
   64.80113980
   10.03228740
   5.551905940
   1.110470440
   .4012723600
   .7000000000E-01
  .007321621788 /
  .043533334293 /
  .108125790842 /
 -.215767388747 /
 -.247246293717 /
  .691319542454  1.0 /
  .433085980068  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    7    4
   102.9671780
   29.05527430
   9.692157970
   1.260478350
   .4432077460
   .1392473610
   .4320000000E-01
 -.015801430664 /
 -.078086127446 /
 -.141787007396 /
  .362378231191 /
  .525283898027  1.0 /
  .314830132764  0.0  1.0 /
  .027214480281  0.0  0.0  1.0
    3    1
   1.891334740
   .6782762115
   .2904459094
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: MO-NP-(d5s1)7S-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   556967.0000
   119657.0000
   36081.90000
   12103.30000
   4414.330000
   1720.690000
   686.9790000
   264.8870000
   116.6420000
   52.66000000
   18.07420000
   9.112200000
   4.353580000

   .018530423214
   .016654516929
   .027690599143
   .044970762500
   .070275350000
   .098097255714
   .114358474286
   .177270530714
   .306585688571
   .174674094286
   .453526765000
   .436951822143
   .060413718071
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1477.31980      214.180100      38.8088960
   9422636.500
   1410896.300
   321050.6700
   90926.69100
   29660.58600
   10706.45200
   4175.047900
   1731.011400
   754.3537500
   342.4049400
   159.2635000
   67.00702500
   33.22016800
   16.36176600
   6.998246200
   3.353135900
   1.089945600
   .4701925300
   .8553051800E-01
   .3363711300E-01
   .000346731161  -.000115288371   .000048715498
   .000969531743  -.000323004863   .000136541599
   .002495043410  -.000833276367   .000352243087
   .005990189620  -.002013787220   .000852676752
   .014067584000  -.004763847540   .002016174480
   .032959135100  -.011396991100   .004849538950
   .075913723300  -.026978799200   .011479044900
   .162508621000  -.062177735500   .026880526700
   .288840171000  -.124922471000   .054552622500
   .349891161000  -.199953872000   .092194312100
   .209449521000  -.137321911000   .064630051400
   .031103121100   .287090672000  -.174432098000
  -.004068216410   .592836805000  -.532809935000
   .001858021810   .281077142000  -.225087538000
  -.000868760883   .020617932200   .723999913000
   .000365237491  -.000387057123   .572366904000
  -.000124307630   .000002912083   .037669269600
   .000055342626  -.000059878934  -.005665924650
  -.000014228754   .000001540595   .001342454390
   .000006392343  -.000005650064  -.000611526184
   14    2
  191.089420      31.0111850
   23059.78300
   5461.620700
   1773.142800
   677.0637400
   286.3632900
   129.8543600
   61.64137400
   30.13844100
   14.59718000
   7.091088700
   3.467859500
   1.514889200
   .6679777700
   .2683438300
   .000583517950  -.000254966230
   .002483860200  -.001088840800
   .010353646000  -.004577311390
   .037466769000  -.016797009000
   .111772700000  -.051803047900
   .251933560000  -.122308820000
   .380180100000  -.197189500000
   .303201220000  -.119352710000
   .088294525000   .241929850000
   .003929097000   .542521729000
   .001279055000   .327959260000
  -.000425194600   .039633725900
   .000149684350  -.001219556500
  -.000050519412   .000574107169
   11    1
  18.2960010
   756.4550000
   227.6790200
   87.96203100
   38.04124300
   17.51472300
   8.213263300
   3.855477200
   1.706559100
   .7227402900
   .2846653800
   .1016848300
   .001288385900
   .010289833000
   .048535410000
   .151087500000
   .306715140000
   .395212640000
   .276032780000
   .067126417000
   .001055501000
   .000812322080
  -.000235884480
*
Spectral Representation Operator
External primitive basis
    3
   20
   14940.00690
   1969.957970
   401.1956720
   37.95228630
   17.35635450
   6.721829470
   3.319131570
   1.367857640
   .5721708270
   .8074138840E-01
   .3177000470E-01
9422636.500000000
1410896.300000000
321050.670000000
90926.691000000
29660.586000000
4175.047900000
754.353750000
159.263500000
67.007025000
   14
   924.7045670
   211.5628380
   64.80113980
   10.03228740
   5.551905940
   1.110470440
   .4012723600
   .7000000000E-01
23059.783000000
5461.620700000
1773.142800000
129.854360000
30.138441000
3.467859500
   10
   102.9671780
   29.05527430
   9.692157970
   1.260478350
   .4432077460
   .1392473610
   .4320000000E-01
756.455000000
227.679020000
3.855477200
    3
   1.891334740
   .6782762115
   .2904459094
Exchange
NoPair
End of Spectral Representation Operator

/Tc.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.15e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ar,3d] (A1/71/7/3)
*TC-NP-(d5s2)6S-(A1/71/7/3)
 15.000000         3

   11    5
   15850.41150
   2073.692430
   423.4825170
   40.18090330
   20.00672370
   6.703800150
   3.387579550
   1.448433050
   .6172253320
   .8960379490E-01
   .3417029860E-01
 -.003343310082 -.000872931062 /
 -.018959206525 -.004953646990 /
 -.061637953463 -.016120936543 /
  .274725938753  .073070703055 /
  .107568369683  .029290083651 /
 -.561765249221 -.163331583391 /
 -.560873669033 -.172577536457 /
  .619753412856  .238249566552 /
  .794395813536  .432381601981  1.0 /
  .037225959120 -.692773636614  0.0  1.0 /
 -.013252911088 -.469073103835  0.0  0.0  1.0
    8    4
   981.5423050
   224.3143390
   68.69343450
   10.56887560
   5.902943430
   1.226454060
   .4536394280
   .7600000000E-01
  .007567811167 /
  .044963657101 /
  .112208589448 /
 -.231274953332 /
 -.247310010761 /
  .697592797688  1.0 /
  .427849593615  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    7    4
   110.9117940
   31.36328280
   10.52651090
   1.441209070
   .5392325640
   .1840927880
   .6580000000E-01
 -.017495073427 /
 -.087293120724 /
 -.159324438445 /
  .383224804679 /
  .527442536514  1.0 /
  .265367325225  0.0  1.0 /
  .016071948284  0.0  0.0  1.0
    3    1
   2.283160742
   .8187940430
   .3506173096
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: TC-NP-(d5s2)6S-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   546590.0000
   115380.0000
   34295.80000
   11388.30000
   4132.040000
   1609.030000
   639.3940000
   250.2010000
   113.3730000
   49.75750000
   18.45760000
   9.463610000
   4.599570000

   .018059913667
   .016540398600
   .027646912733
   .045029281467
   .069837110000
   .094897312000
   .109243876000
   .179308474667
   .285249699333
   .148373413333
   .441980938667
   .382164396667
   .048334940667
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1554.64030      227.530110      42.0886170
   9935518.200
   1487850.800
   338593.1700
   95901.62100
   31284.60200
   11292.86000
   4403.756700
   1825.848300
   795.6900300
   361.1659900
   167.9981500
   70.80319300
   35.16842400
   17.35221100
   7.450251100
   3.598060500
   1.202781600
   .5258607500
   .9048982000E-01
   .3462135000E-01
   .000359412773  -.000119983430  -.000051039872
   .001001891710  -.000335131809  -.000142619300
   .002567433720  -.000860969628  -.000366399620
   .006133823360  -.002070678500  -.000882676149
   .014315388100  -.004868830590  -.002074575400
   .033307620300  -.011568956000  -.004956277200
   .076201743700  -.027206196900  -.011655057000
   .162364322000  -.062398665900  -.027163777000
   .288047393000  -.125029640000  -.054974752000
   .349411143000  -.199964450000  -.092852245900
   .210236062000  -.137559060000  -.065117167900
   .031578311300   .285410259000   .175041100000
  -.004130419040   .591751879000   .536001760000
   .001896289920   .283432959000   .229099750000
  -.000897852908   .020984218000  -.727494419000
   .000385742024  -.000443407879  -.571326930000
  -.000132466701  -.000009650861  -.038948939000
   .000057144551  -.000059346081   .005473439000
  -.000013435911   .000004232457  -.001213423900
   .000006025156  -.000001885190   .000528113620
   14    2
  203.262230      33.8809480
   24771.42200
   5866.892400
   1904.784000
   727.4423800
   307.7524900
   139.6281800
   66.33899500
   32.48309100
   15.80080100
   7.707486900
   3.789292700
   1.677681200
   .7489523200
   .3062476400
   .000589960483  -.000260028096
   .002465903110  -.001090591190
   .010160286100  -.004530827740
   .036561487200  -.016534307800
   .109119081000  -.050980719300
   .247376801000  -.121073068000
   .377856532000  -.197471697000
   .308107462000  -.126175838000
   .093310017500   .230755977000
   .004617755430   .542520183000
   .001272903510   .336337305000
  -.000438813553   .042569446400
   .000149724331  -.001122982280
  -.000050602725   .000539411693
   11    1
  20.5703440
   873.3806700
   263.0262000
   101.8533700
   44.22823400
   20.49859800
   9.712983900
   4.630133800
   2.126659800
   .9348507100
   .3874943700
   .1454876500
   .001098967700
   .008780570580
   .042205724900
   .135106510000
   .286734930000
   .390391699000
   .298814449000
   .087006296900
   .003950199590
   .000732040519
  -.000183755970
*
Spectral Representation Operator
External primitive basis
    3
   20
   15850.41150
   2073.692430
   423.4825170
   40.18090330
   20.00672370
   6.703800150
   3.387579550
   1.448433050
   .6172253320
   .8960379490E-01
   .3417029860E-01
9935518.200000000
1487850.800000000
338593.170000000
95901.621000000
31284.602000000
4403.756700000
795.690030000
167.998150000
70.803193000
   14
   981.5423050
   224.3143390
   68.69343450
   10.56887560
   5.902943430
   1.226454060
   .4536394280
   .7600000000E-01
24771.422000000
5866.892400000
1904.784000000
139.628180000
32.483091000
3.789292700
   10
   110.9117940
   31.36328280
   10.52651090
   1.441209070
   .5392325640
   .1840927880
   .6580000000E-01
873.380670000
263.026200000
4.630133800
    3
   2.283160742
   .8187940430
   .3506173096
Exchange
NoPair
End of Spectral Representation Operator


/Ru.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.16e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ar,3d] (A1/71/7/3)
*RU-NP-(d7s1)5F-(A1/71/7/3)
 16.000000         3

   11    5
   16917.15250
   2197.225080
   447.4694180
   42.11364560
   20.52792180
   7.274160700
   3.822400280
   1.497234750
   .6507377630
   .8852150840E-01
   .3363417650E-01
 -.003422698430 -.000850345579 /
 -.019282188108 -.004793845374 /
 -.062612494342 -.015583420674 /
  .284973721429  .072215893804 /
  .107885651421  .027859345436 /
 -.543654854483 -.149911020304 /
 -.562720660384 -.164985964436 /
  .623468616747  .236281689325 /
  .765742295417  .387911384169  1.0 /
  .036462309294 -.682916054188  0.0  1.0 /
 -.015371303891 -.465344884307  0.0  0.0  1.0
    8    4
   1040.334830
   237.3559250
   72.66329720
   11.21018720
   6.382603030
   1.325554660
   .4819327720
   .7400000000E-01
  .007692378999 /
  .045678006603 /
  .114393947741 /
 -.234410037685 /
 -.248574202921 /
  .702580613661  1.0 /
  .425191293035  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    7    4
   120.2252740
   34.07763790
   11.49486730
   1.566132190
   .5592740430
   .1752516960
   .7280000000E-01
 -.016789307761 /
 -.084853488321 /
 -.158081423686 /
  .385218651925 /
  .520849424346  1.0 /
  .289625379293  0.0  1.0 /
  .024780699488  0.0  0.0  1.0
    3    1
   2.692440830
   .9655712540
   .4134690700
   .173785700000
   .597338100000
   .392939600000
*
* Core AIMP: RU-NP-(d7s1)5F-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   543650.0000
   114214.0000
   33867.20000
   11238.60000
   4081.940000
   1589.280000
   628.6630000
   248.5110000
   114.2950000
   48.95950000
   19.10230000
   9.904560000
   4.855390000

   .017502510813
   .016101844562
   .026916792063
   .043794353438
   .067531480000
   .090754873750
   .104279545625
   .175869785000
   .265288773125
   .134517597500
   .425650673125
   .342099083125
   .039692686937
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1633.55020      240.737390      44.8959990
   10442264.00
   1563739.800
   355866.5800
   100794.9500
   32881.26400
   11869.38000
   4628.649100
   1919.133500
   836.3735300
   379.6540600
   176.6266500
   74.52463100
   37.06761800
   18.31768200
   7.897480700
   3.839865000
   1.308925100
   .5703664400
   .9732147400E-01
   .3676110700E-01
   .000373060741  -.000125032621  -.000053512952
   .001036912300  -.000348230782  -.000149100650
   .002646426800  -.000891061644  -.000381531881
   .006293126610  -.002133269010  -.000914945411
   .014599869000  -.004986998230  -.002138079400
   .033742882100  -.011772877100  -.005075007510
   .076684828100  -.027506208100  -.011857577000
   .162580580000  -.062776078300  -.027502309000
   .287653631000  -.125362471000  -.055472424100
   .348809491000  -.200117121000  -.093534598100
   .210320160000  -.137033041000  -.065200711100
   .031780879100   .285988261000   .177154650000
  -.004170770510   .590716243000   .539634411000
   .001922856700   .283749091000   .229850190000
  -.000919527172   .020955607100  -.733366501000
   .000400594571  -.000447079752  -.567818251000
  -.000137056540  -.000032172486  -.039186780100
   .000057636018  -.000050571654   .005067942710
  -.000013258202  -.000000859995  -.001146183700
   .000005894166  -.000003072248   .000504916311
   14    2
  215.242130      36.2689600
   26248.82000
   6216.720200
   2018.392300
   770.8995300
   326.1972300
   148.0496500
   70.38486700
   34.49760000
   16.81923000
   8.232166200
   4.066583000
   1.817530900
   .8135306700
   .3329397700
   .000605106529  -.000268889698
   .002491118600  -.001110923090
   .010159207000  -.004567948070
   .036346071000  -.016574819900
   .108291870000  -.051008962700
   .245829020000  -.121320919000
   .376913489000  -.198564419000
   .309613880000  -.128710679000
   .095087232900   .228585139000
   .004834080590   .544324367000
   .001260731200   .336170838000
  -.000454367399   .042636332700
   .000145351340  -.000811387985
  -.000054006365   .000607474756
   11    1
  22.3586500
   916.6680800
   276.1220100
   106.9501800
   46.46864100
   21.55144100
   10.22334100
   4.884777400
   2.240360700
   .9893273900
   .4105964400
   .1539292000
   .001132008700
   .008998188380
   .043195919900
   .138023470000
   .291603049000
   .393249069000
   .292055249000
   .079782640800
   .003174113190
   .000998961078
  -.000074792894
*
Spectral Representation Operator
External primitive basis
    3
   20
   16917.15250
   2197.225080
   447.4694180
   42.11364560
   20.52792180
   7.274160700
   3.822400280
   1.497234750
   .6507377630
   .8852150840E-01
   .3363417650E-01
10442264.000000000
1563739.800000000
355866.580000000
100794.950000000
32881.264000000
4628.649100000
836.373530000
176.626650000
74.524631000
   14
   1040.334830
   237.3559250
   72.66329720
   11.21018720
   6.382603030
   1.325554660
   .4819327720
   .7400000000E-01
26248.820000000
6216.720200000
2018.392300000
148.049650000
34.497600000
4.066583000
   10
   120.2252740
   34.07763790
   11.49486730
   1.566132190
   .5592740430
   .1752516960
   .7280000000E-01
916.668080000
276.122010000
4.884777400
    3
   2.692440830
   .9655712540
   .4134690700
Exchange
NoPair
End of Spectral Representation Operator


/Rh.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.17e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ar,3d] (A1/71/7/3)
*RH-NP-(d8s1)4F-(A1/71/7/3)
 17.000000         3

   11    5
   18024.02580
   2323.245490
   471.1828550
   44.23952970
   18.23299160
   9.285180950
   4.768600670
   1.508772780
   .6851531740
   .9127517680E-01
   .3418784020E-01
 -.003515908202 -.000842975122 /
 -.019701918407 -.004727309063 /
 -.063872435600 -.015340952859 /
  .298515971097  .072989952694 /
  .155269089932  .039436462221 /
 -.410828931045 -.109186339684 /
 -.712796203946 -.196566358989 /
  .624135929809  .233450131559 /
  .722395778960  .352816652965  1.0 /
  .032781859917 -.666640420658  0.0  1.0 /
 -.013175908196 -.475423567269  0.0  0.0  1.0
    8    4
   1102.089830
   251.0473740
   76.81274260
   11.80368720
   6.803866910
   1.438456790
   .5238838210
   .7500000000E-01
  .007846676835 /
  .046563492081 /
  .117123929170 /
 -.244746007628 /
 -.246493847508 /
  .706627327651  1.0 /
  .422729246713  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    7    4
   129.1456640
   36.68062820
   12.43422500
   1.727806540
   .6217457830
   .1956656290
   .7620000000E-01
 -.017164789501 /
 -.087515101402 /
 -.164775894834 /
  .393173248384 /
  .518604180861  1.0 /
  .281995878700  0.0  1.0 /
  .024158038493  0.0  0.0  1.0
    3    1
   3.135444134
   1.124442503
   .4814996012
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: RH-NP-(d8s1)4F-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   584373.0000
   129548.0000
   40070.20000
   13730.50000
   5097.650000
   2017.850000
   818.5020000
   321.1770000
   142.4200000
   66.26500000
   22.36840000
   11.47470000
   5.606970000

   .016137552353
   .014091470235
   .023148685412
   .037236847529
   .057580588353
   .079797116471
   .093116914118
   .140883448824
   .248342951176
   .150376594706
   .362460185882
   .372675995294
   .051210472824
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1714.86110      254.644500      48.0771890
   10938897.00
   1638455.200
   372919.8800
   105633.9600
   34461.90100
   12440.55700
   4851.598200
   2011.670400
   876.7610700
   398.0314900
   185.2226300
   78.20745300
   38.94041700
   19.27128300
   8.346983100
   4.083021900
   1.416054300
   .6143774100
   .1033285400
   .3859473900E-01
   .000387740858  -.000130464780   .000056166909
   .001074415700  -.000362260030   .000156022449
   .002731200390  -.000923321141   .000397682648
   .006465305270  -.002200712800   .000949464675
   .014913047900  -.005115885800   .002206429590
   .034243112900  -.012001535000   .005204654970
   .077308643700  -.027860306000   .012083051900
   .163048919000  -.063265320100   .027888167900
   .287529909000  -.125851280000   .056033365700
   .348111929000  -.200354820000   .094252497500
   .209920639000  -.135972090000   .064996176700
   .031800841900   .288123380000  -.180339579000
  -.004201928880   .589697660000  -.543856237000
   .001944760090   .282648130000  -.228105549000
  -.000939245386   .020669520000   .740935976000
   .000413925218  -.000409111720   .562259917000
  -.000140872959  -.000069194450   .039202960800
   .000057809145  -.000038297743  -.004727319380
  -.000013031119  -.000003185227   .001081424190
   .000005775020  -.000001070730  -.000470907018
   14    2
  227.860780      39.0133810
   27764.47900
   6575.324900
   2134.790100
   815.4089500
   345.0851200
   156.6725400
   74.52767200
   36.56042300
   17.86202300
   8.770377200
   4.351109700
   1.960994600
   .8795029100
   .3604020100
   .000621077329  -.000278130271
   .002519739190  -.001132579900
   .010172346000  -.004609880010
   .036178786900  -.016630371000
   .107584990000  -.051070763100
   .244464399000  -.121608320000
   .376054379000  -.199623140000
   .310914099000  -.130993420000
   .096664049800   .226949951000
   .005025027790   .546036621000
   .001246511100   .335667471000
  -.000468027509   .042753400100
   .000141182670  -.000580116401
  -.000054798616   .000603092391
   11    1
  24.4900260
   967.9212800
   291.6195700
   112.9963900
   49.13703000
   22.81488500
   10.84383400
   5.200140100
   2.391624800
   1.060832200
   .4417101900
   .1659468900
   .001148153600
   .009081366670
   .043597013900
   .139344490000
   .294197759000
   .394913709000
   .287637559000
   .075845312800
   .002874688890
   .001090282300
  -.000017141179
*
Spectral Representation Operator
External primitive basis
    3
   20
   18024.02580
   2323.245490
   471.1828550
   44.23952970
   18.23299160
   9.285180950
   4.768600670
   1.508772780
   .6851531740
   .9127517680E-01
   .3418784020E-01
10938897.000000000
1638455.200000000
372919.880000000
105633.960000000
34461.901000000
4851.598200000
876.761070000
185.222630000
78.207453000
   14
   1102.089830
   251.0473740
   76.81274260
   11.80368720
   6.803866910
   1.438456790
   .5238838210
   .7500000000E-01
27764.479000000
6575.324900000
2134.790100000
156.672540000
36.560423000
4.351109700
   10
   129.1456640
   36.68062820
   12.43422500
   1.727806540
   .6217457830
   .1956656290
   .7620000000E-01
967.921280000
291.619570000
5.200140100
    3
   3.135444134
   1.124442503
   .4814996012
Exchange
NoPair
End of Spectral Representation Operator

/Pd.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.18e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[AR,3D] (A1/71/7/3)
*PD-NP-(d9s1)3D-(A1/71/7/3)
 18.000000         3

   11    5
   19143.61820
   2452.842670
   496.2237530
   46.69192300
   21.08295890
   9.638443980
   5.128485050
   1.662917930
   .7388970760
   .9314679750E-01
   .3451253020E-01
-.00361059 -.00083419 /
-.02007544 -.00464188 /
-.06492161 -.01502575 /
 .29954283  .07057305 /
 .13565299  .03323894 /
-.38029272 -.09842794 /
-.73780127 -.19508517 /
 .62234968  .22172445 /
 .73740314  .34413076  1.0 /
 .03080507 -.65558671  0.0  1.0 /
-.01195497 -.47965459  0.0  0.0  1.0
    8    4
   1162.562500
   264.6187720
   80.98508910
   12.47188030
   7.284426230
   1.553012710
   .5663067730
   .7700000000E-01
 .00802075 /
 .04746286 /
 .11959376 /
-.25060006 /
-.24765319 /
 .71055435  1.0 /
 .41986364  0.0  1.0 /
 .00000000  0.0  0.0  1.0
    7    4
   138.3067480
   39.35687280
   13.40255250
   1.895386920
   .6866714000
   .2170610280
   .8380000000E-01
-.01750060 /
-.08989770 /
-.17097091 /
 .39944382 /
 .51678633  1.0 /
 .27516247  0.0  1.0 /
 .02333294  0.0  0.0  1.0
    3    1
   3.612170996
   1.295407739
   .5547089405
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: PD-NP-(d9s1)3D-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   584500.0000
   129628.0000
   40131.30000
   13781.80000
   5132.750000
   2038.000000
   828.2320000
   327.4870000
   146.9530000
   68.47560000
   23.52770000
   12.16090000
   5.976470000

   .015671276778
   .013681001111
   .022453290278
   .036019182500
   .055436631611
   .076122512222
   .088313040000
   .135517462778
   .234310001667
   .137999858333
   .345758440000
   .348081072778
   .046191784833
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1798.32600      268.978520      51.3538900
   11450476.00
   1714586.300
   390306.3400
   110572.5400
   36073.79500
   13021.82800
   5077.900900
   2105.343600
   917.5481500
   416.5574600
   193.8808800
   81.90468500
   40.81286800
   20.22550200
   8.801616700
   4.328711700
   1.524637300
   .6585470500
   .1089758400
   .4028771700E-01
   .000402909579  -.000136099751  -.000058919730
   .001113433300  -.000376899882  -.000163234310
   .002818519690  -.000956668854  -.000414353100
   .006642733390  -.002270425910  -.000985039249
   .015237314000  -.005249483120  -.002276851600
   .034769540900  -.012241081100  -.005338766500
   .077993730900  -.028239065100  -.012317784000
   .163639480000  -.063808468300  -.028292996000
   .287559029000  -.126422171000  -.056619244000
   .347407769000  -.200644751000  -.094973975900
   .209269100000  -.134612721000  -.064611681000
   .031708787900   .291136701000   .184125120000
  -.004219339490   .588705132000   .548281070000
   .001959959000   .280730721000   .224826000000
  -.000955521468   .020231768100  -.749384549000
   .000425141279  -.000352186241  -.555529740000
  -.000143806860  -.000108465880  -.039030784000
   .000057583552  -.000025869723   .004399561700
  -.000012713136  -.000005135019  -.001019506100
   .000005622214   .000001264696   .000441275540
   14    2
  240.844680      41.8375380
   29311.05500
   6941.984700
   2253.910000
   860.9704700
   364.4223000
   165.5025000
   78.77149200
   38.67418100
   18.93092800
   9.323064200
   4.643287300
   2.108120000
   .9470186700
   .3885703200
   .000638006404  -.000287811210
   .002551668720  -.001155524100
   .010198575100  -.004656267700
   .036054389200  -.016698779000
   .106982791000  -.051160543000
   .243253832000  -.121919850000
   .375251942000  -.200634540000
   .312042132000  -.133041450000
   .098080690600   .225637040000
   .005197313930   .547698330000
   .001231014410   .334986040000
  -.000481014133   .042823711000
   .000136877921  -.000365143040
  -.000055518472   .000600631950
   11    1
  26.6899210
   1022.204200
   308.0274900
   119.3939500
   51.96076700
   24.15369000
   11.50373100
   5.537832500
   2.557553900
   1.138783200
   .4755926000
   .1790551100
   .001160484800
   .009133653570
   .043860996900
   .140284860000
   .296205069000
   .396173399000
   .283797889000
   .072925190800
   .002866985790
   .001229036900
   .000079348879
*
Spectral Representation Operator
External primitive basis
    3
   20
   19143.61820
   2452.842670
   496.2237530
   46.69192300
   21.08295890
   9.638443980
   5.128485050
   1.662917930
   .7388970760
   .9314679750E-01
   .3451253020E-01
11450475.5
1714586.32
390306.335
110572.538
36073.7954
5077.90089
917.548154
193.880876
81.904685
   14
   1162.562500
   264.6187720
   80.98508910
   12.47188030
   7.284426230
   1.553012710
   .5663067730
   .7700000000E-01
29311.0555
6941.98472
2253.91002
165.502495
38.674181
4.643287
   10
   138.3067480
   39.35687280
   13.40255250
   1.895386920
   .6866714000
   .2170610280
   .8380000000E-01
1022.20417
308.027491
5.537832
    3
3.61217115
1.29540772
0.55470896
Exchange
NoPair
End of Spectral Representation Operator

/Ag.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.19e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ar,3d] (A1/71/7/3)
*AG-NP-(d10s1)2S-(A1/71/7/3)
 19.000000         3

   11    5
   20518.75760
   2606.726860
   524.1261300
   48.37225850
   18.15035200
   10.02657410
   4.855134220
   1.905406730
   .7923550780
   .9468349630E-01
   .3476888420E-01
 -.003672003881 -.000815136485 /
 -.020333848441 -.004517677538 /
 -.065902856759 -.014655190851 /
  .319840372292  .072465117649 /
  .184310748966  .043946301807 /
 -.561296620610 -.139456256176 /
 -.696838795012 -.178563243918 /
  .676693788210  .223718038812 /
  .754522063115  .337904366703  1.0 /
  .028579619660 -.644074840337  0.0  1.0 /
 -.010798085600 -.485014288005  0.0  0.0  1.0
    8    4
   1224.633800
   278.5757910
   85.28367000
   13.14915150
   7.773860760
   1.671045850
   .6097773210
   .7800000000E-01
  .008191349621 /
  .048311222061 /
  .121909097306 /
 -.257104233820 /
 -.247500507186 /
  .713929198614  1.0 /
  .417453248815  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    7    4
   147.7008570
   42.10173320
   14.39717500
   2.068775960
   .7547321860
   .2401668270
   .8660000000E-01
 -.017593953734 /
 -.091128237259 /
 -.174289297892 /
  .405986997836 /
  .514260308334  1.0 /
  .269962327815  0.0  1.0 /
  .022385276481  0.0  0.0  1.0
    3    1
   4.122621301
   1.478466978
   .6330970756
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: AG-NP-(d10s1)2S-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   580380.0000
   127506.0000
   39147.20000
   13343.20000
   4941.450000
   1956.920000
   791.6030000
   315.4280000
   144.1310000
   65.56370000
   23.96170000
   12.56435000
   6.280190000

   .015344587526
   .013544115053
   .022309110000
   .035945378421
   .055058002105
   .074156126316
   .085329051579
   .137427421053
   .223614247895
   .119625863684
   .342732536842
   .310349124737
   .038248645316
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1883.95410      283.736260      54.7202510
   11955556.00
   1790550.100
   407520.4200
   115434.6000
   37659.55500
   13595.03200
   5301.907900
   2198.469700
   958.2730500
   435.1356600
   202.6013800
   85.62192600
   42.69432700
   21.18607100
   9.262710300
   4.577088100
   1.634897000
   .7030721500
   .1143427900
   .4187181500E-01
   .000418989814  -.000142083560  -.000061835167
   .001154565010  -.000392362280  -.000170829861
   .002912310020  -.000992461050  -.000432135192
   .006834451360  -.002345565000  -.001023051710
   .015591388100  -.005394432100  -.002352260410
   .035355146300  -.012503795000  -.005482826130
   .078788178700  -.028661752000  -.012570477100
   .164389371000  -.064426416000  -.028727191200
   .287704182000  -.127070020000  -.057229171300
   .346576293000  -.200931460000  -.095676736500
   .208347222000  -.132930580000  -.064029778400
   .031536287300   .294791800000   .188364471000
  -.004233535140   .587628940000   .552703843000
   .001973300620   .278278330000   .220433521000
  -.000969946938   .019686204000  -.758450154000
   .000434847414  -.000275972550  -.547927683000
  -.000146100581  -.000152237910  -.038699650200
   .000057113885  -.000012242464   .004076333920
  -.000012336587  -.000007356278  -.000956966085
   .000005426218   .000003433079   .000413462622
   14    2
  254.187310      44.7347720
   30871.77000
   7311.367000
   2373.879200
   906.8796700
   383.9165700
   174.4060700
   83.05168700
   40.80633600
   20.00835300
   9.881722800
   4.938966700
   2.257497600
   1.015527200
   .4172222000
   .000656316401  -.000298131621
   .002589488900  -.001180973210
   .010248372000  -.004712180620
   .036008021000  -.016797481100
   .106578030000  -.051327264200
   .242360300000  -.122348341000
   .374597851000  -.201664511000
   .312822690000  -.134630291000
   .099148708100   .225154921000
   .005317543010   .549402202000
   .001215672900   .333634811000
  -.000494356141   .042716985200
   .000132762070  -.000152348811
  -.000056203742   .000595639443
   11    1
  28.9511620
   1077.547600
   324.7808400
   125.9398600
   54.85624600
   25.52947200
   12.18405800
   5.887808000
   2.732256100
   1.220854800
   .5113317900
   .1929243600
   .001174471490
   .009194935360
   .044147429800
   .141256089000
   .298223829000
   .397424478000
   .280130209000
   .070014324700
   .002212978790
   .000698078197
  -.000164915369
*
Spectral Representation Operator
External primitive basis
    3
   20
   20518.75760
   2606.726860
   524.1261300
   48.37225850
   18.15035200
   10.02657410
   4.855134220
   1.905406730
   .7923550780
   .9468349630E-01
   .3476888420E-01
11955556.000000000
1790550.100000000
407520.420000000
115434.600000000
37659.555000000
5301.907900000
958.273050000
202.601380000
85.621926000
   14
   1224.633800
   278.5757910
   85.28367000
   13.14915150
   7.773860760
   1.671045850
   .6097773210
   .7800000000E-01
30871.770000000
7311.367000000
2373.879200000
174.406070000
40.806336000
4.938966700
   10
   147.7008570
   42.10173320
   14.39717500
   2.068775960
   .7547321860
   .2401668270
   .8660000000E-01
1077.547600000
324.780840000
5.887808000
    3
   4.122621301
   1.478466978
   .6330970756
Exchange
NoPair
End of Spectral Representation Operator

/Cd.ECP.Rakowitz.11s8p7d3f.5s4p4d1f.20e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Ar,3d] (A1/71/7/3)
*CD-NP-(d10s2)1S-(A1/71/7/3)
 20.000000         3

   11    5
   21853.98590
   2756.327570
   551.7080770
   50.66690160
   18.72571320
   10.23501780
   4.774123430
   2.307910020
   .9284963950
   .1208523040
   .4370448180E-01
 -.003770092756 -.000929505204 /
 -.020753314191 -.005120946020 /
 -.067213569894 -.016603666184 /
  .329451320700  .083113199479 /
  .186678061362  .048863653641 /
 -.637593745493 -.175124007926 /
 -.722916549750 -.213538882695 /
  .656968498522  .241150972188 /
  .853501847586  .418499083196  1.0 /
  .038916581008 -.667981438668  0.0  1.0 /
 -.014568948638 -.480705918719  0.0  0.0  1.0
    8    4
   1291.791200
   293.4490180
   89.79891540
   13.76174890
   8.169598410
   1.806744250
   .6712315990
   .9900000000E-01
  .008384334470 /
  .049354126470 /
  .124932601377 /
 -.272730470776 /
 -.242853729510 /
  .718542611643  1.0 /
  .413570073285  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    7    4
   157.0421920
   44.83258310
   15.39507910
   2.276869000
   .8601315280
   .2898454700
   .9840000000E-01
 -.018462224228 /
 -.096136900595 /
 -.184625076975 /
  .415404398957 /
  .513136421714  1.0 /
  .246663071330  0.0  1.0 /
  .015843481024  0.0  0.0  1.0
    3    1
   4.925295000
   1.766324259
   .7563609735
   .173785671590
   .597338080410
   .392939567570
*
* Core AIMP: CD-NP-(d10s2)1S-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   577018.0000
   126358.0000
   38680.70000
   13165.00000
   4878.120000
   1930.610000
   777.3280000
   312.4340000
   144.7170000
   64.58250000
   24.74300000
   13.11119000
   6.614630000

   .015030272750
   .013317484200
   .021970210350
   .035353642550
   .053847640000
   .071810758000
   .082432730000
   .136452173500
   .211679628000
   .108085387000
   .333492331000
   .283363314000
   .033164428700
M2
    0
COREREP
   1.0
PROJOP
    2
   20    3
  1972.16530      299.344800      58.5988740
   12473864.00
   1867970.900
   425101.3200
   120404.8400
   39278.43300
   14178.66800
   5529.277300
   2292.692300
   999.3584600
   453.8365900
   211.3688500
   89.32984500
   44.56118900
   22.13869700
   9.727369000
   4.826714000
   1.746076000
   .7474690000
   .1191820000
   .4327100000E-01
   .000435620952  -.000148299260  -.000064873780
   .001197163800  -.000408442071  -.000178747131
   .003008480110  -.001029332100  -.000450510002
   .007030936530  -.002422925910  -.001062277400
   .015955016100  -.005543793110  -.002430036810
   .035962304100  -.012776355000  -.005631923320
   .079631720300  -.029105641100  -.012833226000
   .165237691000  -.065091156100  -.029183034100
   .287977971000  -.127787140000  -.057868192200
   .345743481000  -.201266470000  -.096400567300
   .207223131000  -.130965290000  -.063275737200
   .031270286100   .299356671000   .193285151000
  -.004243322720   .586578701000   .557556182000
   .001985068110   .274962671000   .214202941000
  -.000984754824   .018975164000  -.768509293000
   .000444692552  -.000171860820  -.538964242000
  -.000148457381  -.000203144510  -.038236942100
   .000056698944   .000005055220   .003856667710
  -.000012016251  -.000010455628  -.000890878543
   .000005318278   .000004594426   .000382290071
   14    2
  268.308580      48.1233560
   32480.17600
   7692.212800
   2497.558300
   954.1897500
   403.9998500
   183.5778100
   87.46097400
   43.00286400
   21.11884700
   10.45821000
   5.243827000
   2.411113000
   1.085851000
   .4467740000
   .000675145176  -.000308730490
   .002628598980  -.001206983100
   .010302467900  -.004769251610
   .035974197800  -.016898048000
   .106199959000  -.051491328100
   .241497778000  -.122757290000
   .373962868000  -.202643340000
   .313573758000  -.136185240000
   .100172789000   .224815830000
   .005434031670   .550948161000
   .001198463690   .332362731000
  -.000504875097   .042699475100
   .000129402929  -.000039295030
  -.000053963499   .000514099571
   11    1
  31.6875180
   1136.191700
   342.5241300
   132.8691700
   57.92117000
   26.98679100
   12.90590200
   6.259960000
   2.920339000
   1.309957000
   .5506700000
   .2085010000
   .001184299290
   .009222664950
   .044284112800
   .141810939000
   .299634208000
   .398268178000
   .277085528000
   .068191339600
   .002092450290
   .000633883707
  -.000155692749
*
Spectral Representation Operator
External primitive basis
    3
   20
   21853.98590
   2756.327570
   551.7080770
   50.66690160
   18.72571320
   10.23501780
   4.774123430
   2.307910020
   .9284963950
   .1208523040
   .4370448180E-01
12473864.000000000
1867970.900000000
425101.320000000
120404.840000000
39278.433000000
5529.277300000
999.358460000
211.368850000
89.329845000
   14
   1291.791200
   293.4490180
   89.79891540
   13.76174890
   8.169598410
   1.806744250
   .6712315990
   .9900000000E-01
32480.176000000
7692.212800000
2497.558300000
183.577810000
43.002864000
5.243827000
   10
   157.0421920
   44.83258310
   15.39507910
   2.276869000
   .8601315280
   .2898454700
   .9840000000E-01
1136.191700000
342.524130000
6.259960000
    3
   4.925295000
   1.766324259
   .7563609735
Exchange
NoPair
End of Spectral Representation Operator

*
********************************************************************************
*         C.3.2.3. Third Series Transition Metal Elements (core [Kr,4d,4f])    *
********************************************************************************
*  - 2nd order Douglas-Kroll-Hess
*  - p polarization functions:
*    S.Huzinaga (Editor), J.Andzelm, M.Klobukowski, E.Radzio, Y.Sakai,
*    and H.Tatewaki, "Gaussian Basis Sets for Molecular Calculations"
*    (Elsevier, Amsterdam, 1984).
*  - f orthogonalization functions:
*    M Casarrubios and L Seijo, J. Chem. Phys., 110 (1999) 784
*  - f polarization functions:
*    C Wittborn and U Wahlgren, Chem. Phys. 201 (1995) 357
********************************************************************************
*
/Hf.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.12e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*HF-NP-(d2s2)3F-(A3/91/9/51)
 12.000000         3

   13    5
   610902.1370
   51607.77090
   7640.230170
   1533.429980
   139.0865130
   49.09458450
   32.11186430
   22.25512260
   4.572374300
   .9810409050
   .5267282940
   .8136703460E-01
   .3186044230E-01
 -.000613048518  .000126313986 /
 -.002885686559  .000594564996 /
 -.011626384989  .002396140485 /
 -.032351431810  .006668632119 /
  .174762249787 -.036272422902 /
  .115995687873 -.024106264797 /
 -.229717564101  .048443207170 /
 -.409535003312  .087302129305 /
 1.060097457878 -.253783917135 /
 -.582689781813  .204888510072 /
 -.721048172540  .377449299937  1.0 /
  .007420292498 -.762281598743  0.0  1.0 /
  .041513555348 -.412590814184  0.0  0.0  1.0
   10    4
   3738.728010
   813.8456710
   243.9273750
   37.64716910
   18.00410890
   13.20929040
   5.401715440
   .9338651750
   .3455300590
   .5900000000E-01
 -.004067901355 /
 -.021952665206 /
 -.057294459491 /
  .173654193427 /
  .174639320731 /
 -.189384187581 /
 -.447572631986 /
  .712556170086  1.0 /
  .416220039442  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   504.3084240
   145.6060990
   52.39760930
   9.885214990
   5.105631090
   .9261226380
   .3245142030
   .1023051720
   .3250000000E-01
  .004463363946 /
  .025450589882 /
  .055039003339 /
 -.098368432325 /
 -.110463734994 /
  .318632623738 /
  .531076449503  1.0 /
  .358170904181  0.0  1.0 /
  .033661472139  0.0  0.0  1.0
    6    2
   48.53704200
   15.26393600
   5.479467200
   1.947654000
   .6255320000
   .2307389690
   .108456240000   .000000000000
   .348345140000   .000000000000
   .471965000000   .000000000000
   .347568300000   .000000000000
   .124737680000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: HF-NP-(d2s2)3F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   555880.0000
   120824.0000
   37293.90000
   12734.50000
   4662.550000
   1741.090000
   675.9350000
   307.5840000
   103.5020000
   55.03420000
   12.24860000
   6.473890000
   2.709120000
   .9692000000

   .051443635917
   .045617997417
   .074230698750
   .114946990000
   .156631547500
   .200051250000
   .356452478333
   .417848529167
   .456898196667
   .936569250000
   .919808175000
   .932452225000
   .297079315833
   .039969717417
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  4819.21840      834.722460      194.570340      41.4232110
   32424058.00
   4855383.400
   1104952.800
   312966.1200
   102095.9900
   36853.57500
   14370.53300
   5957.484800
   2595.561200
   1177.328100
   548.2437500
   242.8443900
   124.1104500
   62.73210200
   28.11927900
   14.67275500
   6.233005300
   3.035221300
   1.111120000
   .5047694500
   .1013134500
   .4053218700E-01
   .001034893890   .000388713701  -.000183799921  -.000089718231
   .002517223790   .000948062034  -.000448541723  -.000218955502
   .005873827370   .002221111010  -.001051190110  -.000513280994
   .012289268900   .004686159720  -.002222246610  -.001085147310
   .024965075900   .009631415440  -.004569960430  -.002233771820
   .048976454800   .019351787100  -.009240562060  -.004516067540
   .094037799500   .038380291100  -.018344477100  -.008994245370
   .170974389000   .074813066300  -.036440314200  -.017856885100
   .273881829000   .132539741000  -.064944923400  -.032140466300
   .325381328000   .193456381000  -.100518881000  -.049713447400
   .211961159000   .116143750000  -.055806320400  -.028521138200
   .040398787800  -.267696531000   .193466971000   .108432111000
  -.003569732480  -.561129742000   .582932394000   .334484033000
   .001837916090  -.316736891000   .257297752000   .174319611000
  -.000994694815  -.022991721100  -.818759615000  -.886101657000
   .000553736247  -.000215320171  -.510060033000  -.572125655000
  -.000257520229   .000881572123  -.057058525400   .935535268000
   .000135186459  -.000440925792   .010558875100   .574808925000
  -.000053639057   .000196428471  -.004031084730   .023079637200
   .000022347334  -.000089618291   .001728312810  -.000976994798
  -.000005565800   .000022078554  -.000419047913   .000174271771
   .000002401820  -.000009582285   .000181566701  -.000058582611
   18    3
  735.400030      164.147890      31.2011160
   79151.99200
   18743.64300
   6086.293900
   2326.898200
   986.8501600
   449.8511000
   215.6617100
   107.0290800
   53.40996700
   27.51601100
   14.20651500
   6.977792700
   3.362741500
   1.368156000
   .6119044000
   .2473360100
   .7236674700E-01
   .2895156300E-01
   .001435178700  -.000728955387   .000351593239
   .004497196310  -.002299858590   .001110609900
   .014386118000  -.007431590070   .003599801690
   .043253778100  -.022727180900   .011038827000
   .115509680000  -.062664564700   .030718975900
   .248765161000  -.141438699000   .069962890800
   .371135681000  -.222448769000   .112052300000
   .302391741000  -.125469809000   .052497685900
   .092766437200   .291670549000  -.216855280000
   .003487166710   .567764808000  -.463309319000
   .001173343300   .263196389000  -.005091115190
  -.000653249932   .026404668900   .653997879000
   .000232477141   .000731981467   .459350079000
  -.000113123810   .000082309569   .050776718900
   .000059173332  -.000022465184  -.003927256490
  -.000022538368   .000004002815   .001345566500
   .000008122364  -.000000816318  -.000458332049
  -.000003178832   .000000368541   .000169720000
   14    2
  126.820690      17.4939490
   3406.962000
   1030.269100
   402.0248600
   177.6274200
   84.48027800
   41.78793300
   21.18604500
   10.55846700
   5.116398200
   2.372849400
   .9007378100
   .3326109000
   .1112066400
   .3718133200E-01
   .001234275700   .000605868173
   .008235862120   .004085592720
   .038592476100   .019252868100
   .127441990000   .065122571300
   .286606431000   .146637961000
   .400517531000   .193539031000
   .281077061000   .016684897100
   .073211006200  -.364730702000
   .003965508610  -.498818772000
   .000768377632  -.244636801000
  -.000068528188  -.027796869100
   .000053657808   .001833044410
  -.000021140475  -.000831012664
   .000006732499   .000258014451
    9    1
  2.27505630
   267.0500500
   92.11611900
   38.55705200
   17.48554800
   8.117978200
   3.689521900
   1.586697000
   .6050725700
   .2307389700
   .003333363790
   .024739558900
   .095135955800
   .229078730000
   .344987409000
   .353847709000
   .251425209000
   .098676558800
   .009155047780
*
Spectral Representation Operator
External primitive basis
    3
   21
   610902.1370
   51607.77090
   7640.230170
   1533.429980
   139.0865130
   49.09458450
   32.11186430
   22.25512260
   4.572374300
   .9810409050
   .5267282940
   .8136703460E-01
   .3186044230E-01
32424058.000000000
4855383.400000000
1104952.800000000
102095.990000000
14370.533000000
2595.561200000
548.243750000
242.844390000
   16
   3738.728010
   813.8456710
   243.9273750
   37.64716910
   18.00410890
   13.20929040
   5.401715440
   .9338651750
   .3455300590
   .5900000000E-01
79151.992000000
18743.643000000
2326.898200000
449.851100000
107.029080000
53.409967000
   12
   504.3084240
   145.6060990
   52.39760930
   9.885214990
   5.105631090
   .9261226380
   .3245142030
   .1023051720
   .3250000000E-01
3406.962000000
1030.269100000
21.186045000
    7
   48.53704200
   15.26393600
   5.479467200
   1.947654000
   .6255320000
   .2307389690
267.050050000
Exchange
NoPair
End of Spectral Representation Operator

/Hf.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.12e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*HF-NP-(d2s2)3F-(A3/91/9/51)
 12.000000         3

   13    5
   610902.1370
   51607.77090
   7640.230170
   1533.429980
   139.0865130
   49.09458450
   32.11186430
   22.25512260
   4.572374300
   .9810409050
   .5267282940
   .8136703460E-01
   .3186044230E-01
 -.000613048518  .000126313986 /
 -.002885686559  .000594564996 /
 -.011626384989  .002396140485 /
 -.032351431810  .006668632119 /
  .174762249787 -.036272422902 /
  .115995687873 -.024106264797 /
 -.229717564101  .048443207170 /
 -.409535003312  .087302129305 /
 1.060097457878 -.253783917135 /
 -.582689781813  .204888510072 /
 -.721048172540  .377449299937  1.0 /
  .007420292498 -.762281598743  0.0  1.0 /
  .041513555348 -.412590814184  0.0  0.0  1.0
   10    4
   3738.728010
   813.8456710
   243.9273750
   37.64716910
   18.00410890
   13.20929040
   5.401715440
   .9338651750
   .3455300590
   .5900000000E-01
 -.004067901355 /
 -.021952665206 /
 -.057294459491 /
  .173654193427 /
  .174639320731 /
 -.189384187581 /
 -.447572631986 /
  .712556170086  1.0 /
  .416220039442  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   504.3084240
   145.6060990
   52.39760930
   9.885214990
   5.105631090
   .9261226380
   .3245142030
   .1023051720
   .3250000000E-01
  .004463363946 /
  .025450589882 /
  .055039003339 /
 -.098368432325 /
 -.110463734994 /
  .318632623738 /
  .531076449503  1.0 /
  .358170904181  0.0  1.0 /
  .033661472139  0.0  0.0  1.0
    1    1
   .2307389690
  1.000000000000
*
* Core AIMP: HF-NP-(d2s2)3F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   555880.0000
   120824.0000
   37293.90000
   12734.50000
   4662.550000
   1741.090000
   675.9350000
   307.5840000
   103.5020000
   55.03420000
   12.24860000
   6.473890000
   2.709120000
   .9692000000

   .051443635917
   .045617997417
   .074230698750
   .114946990000
   .156631547500
   .200051250000
   .356452478333
   .417848529167
   .456898196667
   .936569250000
   .919808175000
   .932452225000
   .297079315833
   .039969717417
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  4819.21840      834.722460      194.570340      41.4232110
   32424058.00
   4855383.400
   1104952.800
   312966.1200
   102095.9900
   36853.57500
   14370.53300
   5957.484800
   2595.561200
   1177.328100
   548.2437500
   242.8443900
   124.1104500
   62.73210200
   28.11927900
   14.67275500
   6.233005300
   3.035221300
   1.111120000
   .5047694500
   .1013134500
   .4053218700E-01
   .001034893890   .000388713701  -.000183799921  -.000089718231
   .002517223790   .000948062034  -.000448541723  -.000218955502
   .005873827370   .002221111010  -.001051190110  -.000513280994
   .012289268900   .004686159720  -.002222246610  -.001085147310
   .024965075900   .009631415440  -.004569960430  -.002233771820
   .048976454800   .019351787100  -.009240562060  -.004516067540
   .094037799500   .038380291100  -.018344477100  -.008994245370
   .170974389000   .074813066300  -.036440314200  -.017856885100
   .273881829000   .132539741000  -.064944923400  -.032140466300
   .325381328000   .193456381000  -.100518881000  -.049713447400
   .211961159000   .116143750000  -.055806320400  -.028521138200
   .040398787800  -.267696531000   .193466971000   .108432111000
  -.003569732480  -.561129742000   .582932394000   .334484033000
   .001837916090  -.316736891000   .257297752000   .174319611000
  -.000994694815  -.022991721100  -.818759615000  -.886101657000
   .000553736247  -.000215320171  -.510060033000  -.572125655000
  -.000257520229   .000881572123  -.057058525400   .935535268000
   .000135186459  -.000440925792   .010558875100   .574808925000
  -.000053639057   .000196428471  -.004031084730   .023079637200
   .000022347334  -.000089618291   .001728312810  -.000976994798
  -.000005565800   .000022078554  -.000419047913   .000174271771
   .000002401820  -.000009582285   .000181566701  -.000058582611
   18    3
  735.400030      164.147890      31.2011160
   79151.99200
   18743.64300
   6086.293900
   2326.898200
   986.8501600
   449.8511000
   215.6617100
   107.0290800
   53.40996700
   27.51601100
   14.20651500
   6.977792700
   3.362741500
   1.368156000
   .6119044000
   .2473360100
   .7236674700E-01
   .2895156300E-01
   .001435178700  -.000728955387   .000351593239
   .004497196310  -.002299858590   .001110609900
   .014386118000  -.007431590070   .003599801690
   .043253778100  -.022727180900   .011038827000
   .115509680000  -.062664564700   .030718975900
   .248765161000  -.141438699000   .069962890800
   .371135681000  -.222448769000   .112052300000
   .302391741000  -.125469809000   .052497685900
   .092766437200   .291670549000  -.216855280000
   .003487166710   .567764808000  -.463309319000
   .001173343300   .263196389000  -.005091115190
  -.000653249932   .026404668900   .653997879000
   .000232477141   .000731981467   .459350079000
  -.000113123810   .000082309569   .050776718900
   .000059173332  -.000022465184  -.003927256490
  -.000022538368   .000004002815   .001345566500
   .000008122364  -.000000816318  -.000458332049
  -.000003178832   .000000368541   .000169720000
   14    2
  126.820690      17.4939490
   3406.962000
   1030.269100
   402.0248600
   177.6274200
   84.48027800
   41.78793300
   21.18604500
   10.55846700
   5.116398200
   2.372849400
   .9007378100
   .3326109000
   .1112066400
   .3718133200E-01
   .001234275700   .000605868173
   .008235862120   .004085592720
   .038592476100   .019252868100
   .127441990000   .065122571300
   .286606431000   .146637961000
   .400517531000   .193539031000
   .281077061000   .016684897100
   .073211006200  -.364730702000
   .003965508610  -.498818772000
   .000768377632  -.244636801000
  -.000068528188  -.027796869100
   .000053657808   .001833044410
  -.000021140475  -.000831012664
   .000006732499   .000258014451
    9    1
  2.27505630
   267.0500500
   92.11611900
   38.55705200
   17.48554800
   8.117978200
   3.689521900
   1.586697000
   .6050725700
   .2307389700
   .003333363790
   .024739558900
   .095135955800
   .229078730000
   .344987409000
   .353847709000
   .251425209000
   .098676558800
   .009155047780
*
Spectral Representation Operator
External primitive basis
    3
   21
   610902.1370
   51607.77090
   7640.230170
   1533.429980
   139.0865130
   49.09458450
   32.11186430
   22.25512260
   4.572374300
   .9810409050
   .5267282940
   .8136703460E-01
   .3186044230E-01
32424058.000000000
4855383.400000000
1104952.800000000
102095.990000000
14370.533000000
2595.561200000
548.243750000
242.844390000
   16
   3738.728010
   813.8456710
   243.9273750
   37.64716910
   18.00410890
   13.20929040
   5.401715440
   .9338651750
   .3455300590
   .5900000000E-01
79151.992000000
18743.643000000
2326.898200000
449.851100000
107.029080000
53.409967000
   12
   504.3084240
   145.6060990
   52.39760930
   9.885214990
   5.105631090
   .9261226380
   .3245142030
   .1023051720
   .3250000000E-01
3406.962000000
1030.269100000
21.186045000
    7
   48.53704200
   15.26393600
   5.479467200
   1.947654000
   .6255320000
   .2307389690
267.050050000
Exchange
NoPair
End of Spectral Representation Operator

/Ta.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.13e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[KR,4D,4F] (A3/91/9/51)
*TA-NP-(d3s2)4F-(A3/91/9/51)
 13.000000         3

   13    5
   651857.9250
   54299.09310
   7952.505830
   1598.779030
   143.4027490
   52.66914860
   35.77042690
   21.89275100
   4.772127550
   1.357823420
   .6495275400
   .8640155750E-01
   .3356306010E-01
     -.00062028  .00013513 /
     -.00295404  .00064353 /
     -.01182939  .00257793 /
     -.03259380  .00710351 /
      .17694301 -.03883800 /
      .13907110 -.03061225 /
     -.27477524  .06122998 /
     -.40463995  .09147386 /
     1.10338238 -.28035531 /
     -.29875271  .10456527 /
    -1.01582628  .49264674  1.0 /
     -.01182867 -.77508341  0.0  1.0 /
      .04434906 -.39195206  0.0  0.0  1.0
   10    4
   3927.532040
   850.5914220
   253.6294790
   38.94150640
   19.11630000
   13.89366700
   5.667864750
   .9968598860
   .3716830700
   .6500000000E-01
     -.00415006 /
     -.02241434 /
     -.05901316 /
      .17820473 /
      .16834578 /
     -.17795874 /
     -.46550970 /
      .72324923  1.0 /
      .40780479  0.0  1.0 /
      .00000000  0.0  0.0  1.0
    9    4
   526.0190490
   151.7012430
   54.59184710
   10.14293390
   5.188248610
   1.035642090
   .3789934160
   .1231245790
   .3950000000E-01
      .00489548 /
      .02804059 /
      .06107385 /
     -.11511140 /
     -.11780739 /
      .32970820 /
      .53565963  1.0 /
      .33313640  0.0  1.0 /
      .02850059  0.0  0.0  1.0
    6    2
   53.46524200
   16.95393600
   6.178557200
   2.245514000
   .7417920000
   .2708006900
   .101126390000   .000000000000
   .336910560000   .000000000000
   .472491420000   .000000000000
   .353353760000   .000000000000
   .122884120000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: TA-NP-(d3s2)4F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   4410740.000
   172769.0000
   49075.00000
   15822.90000
   5569.910000
   2026.640000
   758.1200000
   335.3690000
   112.7640000
   58.09090000
   13.13550000
   7.155600000
   3.117880000
   1.155420000

   .039268206077
   .038765531385
   .064687298000
   .102405130000
   .143670750000
   .182518837692
   .318901029231
   .407309140000
   .397545024615
   .899885261538
   .783355807692
   .902740569231
   .297033730000
   .037298300000
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  4971.68310      864.934610      202.617440      43.6061410
   33528956.00
   5020849.500
   1142610.100
   323632.3800
   105575.5500
   38109.56600
   14860.25200
   6160.470000
   2683.967500
   1217.406100
   566.9604800
   251.7311000
   128.6562800
   65.01866200
   29.15600500
   15.23384300
   6.492665000
   3.182650000
   1.191585000
   .5435700000
   .1104530000
   .4349380000E-01
   .001073303990   .000404946690  -.000191853678  -.000093949439
   .002599000390   .000983257610  -.000466113004  -.000228262801
   .006042325170   .002295162000  -.001088396890  -.000533149702
   .012587528900   .004821738400  -.002291091270  -.001122372400
   .025457707900   .009867301800  -.004691393640  -.002300450510
   .049681722800   .019722319000  -.009436618380  -.004626981310
   .094854700500   .038900807000  -.018632176800  -.009164249130
   .171473409000   .075368957000  -.036788411500  -.018088139100
   .273436359000   .132825820000  -.065213561200  -.032373301100
   .324251358000   .192874560000  -.100402469000  -.049827873200
   .211684349000   .114921080000  -.055003396300  -.028149760100
   .040716448800  -.266906300000   .193532468000   .108811270000
  -.003465871380  -.560339300000   .583239873000   .336223461000
   .001803092290  -.317556150000   .257291387000   .174140971000
  -.000979945035  -.023016059000  -.819534630000  -.891578433000
   .000549227727  -.000273917590  -.508731554000  -.571398752000
  -.000259324179   .000934448140  -.058140789300   .934596083000
   .000138570409  -.000481183480   .011194067900   .576777712000
  -.000055544832   .000215289070  -.004304360450   .023947185100
   .000022756094  -.000096490931   .001817726880  -.000925819513
  -.000005539310   .000023267468  -.000430676645   .000172712401
   .000002343324  -.000009866100   .000183291658  -.000056706112
   18    3
  760.715070      170.842640      32.9317250
   82480.16600
   19531.51900
   6342.177200
   2424.842000
   1028.484200
   468.9195100
   224.8766900
   111.6734900
   55.84429600
   28.80614900
   14.90170200
   7.326418000
   3.547206000
   1.460149000
   .6587820000
   .2671990000
   .7889500000E-01
   .3106700000E-01
   .001464412800  -.000745878343   .000361252241
   .004545672600  -.002331373210   .001130534800
   .014418449000  -.007469526730   .003633406410
   .043052182000  -.022686491100   .011065173000
   .114526740000  -.062285500300   .030661658100
   .246653240000  -.140549421000   .069805883300
   .369690930000  -.221956391000   .112273090000
   .304494370000  -.128993511000   .054732005200
   .095364050900   .284223641000  -.212815141000
   .003949624100   .567671772000  -.465397742000
   .001155027600   .269619871000  -.016310186100
  -.000647373120   .028100769100   .650867913000
   .000232980530   .000625475073   .466290452000
  -.000114449180   .000122494730   .052701040200
   .000059948191  -.000048393151  -.003968501620
  -.000022479274   .000011209413   .001353769910
   .000008013335  -.000003748691  -.000450685252
  -.000003076975   .000001478797   .000163312491
   14    2
  132.326790      18.7365910
   3517.996000
   1063.915300
   415.1961300
   183.4929400
   87.30557200
   43.21695700
   21.93114900
   10.94799100
   5.323712000
   2.491769000
   .9726730000
   .3702180000
   .1274160000
   .4385210000E-01
   .001250770700  -.000618683340
   .008289856310  -.004143318100
   .038726681000  -.019470524000
   .127730060000  -.065769510000
   .287068750000  -.148033110000
   .400551270000  -.194802800000
   .280148860000  -.015134067000
   .072867035100   .367498690000
   .003947235400   .497941080000
   .000765036411   .240357090000
  -.000085450250   .027143324000
   .000057189711  -.001632804400
  -.000023648232   .000755270020
   .000007457739  -.000232941570
    9    1
  2.94916330
   289.0866400
   99.86384700
   41.96309500
   19.11286900
   8.940090000
   4.106914000
   1.793885000
   .6969830000
   .2708006900
   .003111666870
   .023353004800
   .091178118200
   .223892998000
   .344158107000
   .357489057000
   .251402018000
   .093150885200
   .007410352530
*
Spectral Representation Operator
External primitive basis
    3
   21
   651857.9250
   54299.09310
   7952.505830
   1598.779030
   143.4027490
   52.66914860
   35.77042690
   21.89275100
   4.772127550
   1.357823420
   .6495275400
   .8640155750E-01
   .3356306010E-01
33528956.3
5020849.55
1142610.13
105575.554
14860.2518
2683.96751
566.960476
251.731104
   16
   3927.532040
   850.5914220
   253.6294790
   38.94150640
   19.11630000
   13.89366700
   5.667864750
   .9968598860
   .3716830700
   .6500000000E-01
82480.1662
19531.5193
2424.84201
468.919509
111.673489
55.844296
   12
   526.0190490
   151.7012430
   54.59184710
   10.14293390
   5.188248610
   1.035642090
   .3789934160
   .1231245790
   .3950000000E-01
3517.99600
1063.91529
21.931149
    7
   53.46524200
   16.95393600
   6.178557200
   2.245514000
   .7417920000
   .2708006900
289.086642
Exchange
NoPair
End of Spectral Representation Operator

/Ta.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.13e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[KR,4D,4F] (A3/91/9/51)
*TA-NP-(d3s2)4F-(A3/91/9/51)
 13.000000         3

   13    5
   651857.9250
   54299.09310
   7952.505830
   1598.779030
   143.4027490
   52.66914860
   35.77042690
   21.89275100
   4.772127550
   1.357823420
   .6495275400
   .8640155750E-01
   .3356306010E-01
     -.00062028  .00013513 /
     -.00295404  .00064353 /
     -.01182939  .00257793 /
     -.03259380  .00710351 /
      .17694301 -.03883800 /
      .13907110 -.03061225 /
     -.27477524  .06122998 /
     -.40463995  .09147386 /
     1.10338238 -.28035531 /
     -.29875271  .10456527 /
    -1.01582628  .49264674  1.0 /
     -.01182867 -.77508341  0.0  1.0 /
      .04434906 -.39195206  0.0  0.0  1.0
   10    4
   3927.532040
   850.5914220
   253.6294790
   38.94150640
   19.11630000
   13.89366700
   5.667864750
   .9968598860
   .3716830700
   .6500000000E-01
     -.00415006 /
     -.02241434 /
     -.05901316 /
      .17820473 /
      .16834578 /
     -.17795874 /
     -.46550970 /
      .72324923  1.0 /
      .40780479  0.0  1.0 /
      .00000000  0.0  0.0  1.0
    9    4
   526.0190490
   151.7012430
   54.59184710
   10.14293390
   5.188248610
   1.035642090
   .3789934160
   .1231245790
   .3950000000E-01
      .00489548 /
      .02804059 /
      .06107385 /
     -.11511140 /
     -.11780739 /
      .32970820 /
      .53565963  1.0 /
      .33313640  0.0  1.0 /
      .02850059  0.0  0.0  1.0
    1    1
   .2708006900
  1.000000000000
*
* Core AIMP: TA-NP-(d3s2)4F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   4410740.000
   172769.0000
   49075.00000
   15822.90000
   5569.910000
   2026.640000
   758.1200000
   335.3690000
   112.7640000
   58.09090000
   13.13550000
   7.155600000
   3.117880000
   1.155420000

   .039268206077
   .038765531385
   .064687298000
   .102405130000
   .143670750000
   .182518837692
   .318901029231
   .407309140000
   .397545024615
   .899885261538
   .783355807692
   .902740569231
   .297033730000
   .037298300000
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  4971.68310      864.934610      202.617440      43.6061410
   33528956.00
   5020849.500
   1142610.100
   323632.3800
   105575.5500
   38109.56600
   14860.25200
   6160.470000
   2683.967500
   1217.406100
   566.9604800
   251.7311000
   128.6562800
   65.01866200
   29.15600500
   15.23384300
   6.492665000
   3.182650000
   1.191585000
   .5435700000
   .1104530000
   .4349380000E-01
   .001073303990   .000404946690  -.000191853678  -.000093949439
   .002599000390   .000983257610  -.000466113004  -.000228262801
   .006042325170   .002295162000  -.001088396890  -.000533149702
   .012587528900   .004821738400  -.002291091270  -.001122372400
   .025457707900   .009867301800  -.004691393640  -.002300450510
   .049681722800   .019722319000  -.009436618380  -.004626981310
   .094854700500   .038900807000  -.018632176800  -.009164249130
   .171473409000   .075368957000  -.036788411500  -.018088139100
   .273436359000   .132825820000  -.065213561200  -.032373301100
   .324251358000   .192874560000  -.100402469000  -.049827873200
   .211684349000   .114921080000  -.055003396300  -.028149760100
   .040716448800  -.266906300000   .193532468000   .108811270000
  -.003465871380  -.560339300000   .583239873000   .336223461000
   .001803092290  -.317556150000   .257291387000   .174140971000
  -.000979945035  -.023016059000  -.819534630000  -.891578433000
   .000549227727  -.000273917590  -.508731554000  -.571398752000
  -.000259324179   .000934448140  -.058140789300   .934596083000
   .000138570409  -.000481183480   .011194067900   .576777712000
  -.000055544832   .000215289070  -.004304360450   .023947185100
   .000022756094  -.000096490931   .001817726880  -.000925819513
  -.000005539310   .000023267468  -.000430676645   .000172712401
   .000002343324  -.000009866100   .000183291658  -.000056706112
   18    3
  760.715070      170.842640      32.9317250
   82480.16600
   19531.51900
   6342.177200
   2424.842000
   1028.484200
   468.9195100
   224.8766900
   111.6734900
   55.84429600
   28.80614900
   14.90170200
   7.326418000
   3.547206000
   1.460149000
   .6587820000
   .2671990000
   .7889500000E-01
   .3106700000E-01
   .001464412800  -.000745878343   .000361252241
   .004545672600  -.002331373210   .001130534800
   .014418449000  -.007469526730   .003633406410
   .043052182000  -.022686491100   .011065173000
   .114526740000  -.062285500300   .030661658100
   .246653240000  -.140549421000   .069805883300
   .369690930000  -.221956391000   .112273090000
   .304494370000  -.128993511000   .054732005200
   .095364050900   .284223641000  -.212815141000
   .003949624100   .567671772000  -.465397742000
   .001155027600   .269619871000  -.016310186100
  -.000647373120   .028100769100   .650867913000
   .000232980530   .000625475073   .466290452000
  -.000114449180   .000122494730   .052701040200
   .000059948191  -.000048393151  -.003968501620
  -.000022479274   .000011209413   .001353769910
   .000008013335  -.000003748691  -.000450685252
  -.000003076975   .000001478797   .000163312491
   14    2
  132.326790      18.7365910
   3517.996000
   1063.915300
   415.1961300
   183.4929400
   87.30557200
   43.21695700
   21.93114900
   10.94799100
   5.323712000
   2.491769000
   .9726730000
   .3702180000
   .1274160000
   .4385210000E-01
   .001250770700  -.000618683340
   .008289856310  -.004143318100
   .038726681000  -.019470524000
   .127730060000  -.065769510000
   .287068750000  -.148033110000
   .400551270000  -.194802800000
   .280148860000  -.015134067000
   .072867035100   .367498690000
   .003947235400   .497941080000
   .000765036411   .240357090000
  -.000085450250   .027143324000
   .000057189711  -.001632804400
  -.000023648232   .000755270020
   .000007457739  -.000232941570
    9    1
  2.94916330
   289.0866400
   99.86384700
   41.96309500
   19.11286900
   8.940090000
   4.106914000
   1.793885000
   .6969830000
   .2708006900
   .003111666870
   .023353004800
   .091178118200
   .223892998000
   .344158107000
   .357489057000
   .251402018000
   .093150885200
   .007410352530
*
Spectral Representation Operator
External primitive basis
    3
   21
   651857.9250
   54299.09310
   7952.505830
   1598.779030
   143.4027490
   52.66914860
   35.77042690
   21.89275100
   4.772127550
   1.357823420
   .6495275400
   .8640155750E-01
   .3356306010E-01
33528956.3
5020849.55
1142610.13
105575.554
14860.2518
2683.96751
566.960476
251.731104
   16
   3927.532040
   850.5914220
   253.6294790
   38.94150640
   19.11630000
   13.89366700
   5.667864750
   .9968598860
   .3716830700
   .6500000000E-01
82480.1662
19531.5193
2424.84201
468.919509
111.673489
55.844296
   12
   526.0190490
   151.7012430
   54.59184710
   10.14293390
   5.188248610
   1.035642090
   .3789934160
   .1231245790
   .3950000000E-01
3517.99600
1063.91529
21.931149
    7
   53.46524200
   16.95393600
   6.178557200
   2.245514000
   .7417920000
   .2708006900
289.086642
Exchange
NoPair
End of Spectral Representation Operator

/W.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.14e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*W-NP-(d4s2)5D-(A3/91/9/51)
 14.000000         3

   13    5
   679966.9660
   57095.38250
   8332.636450
   1650.714190
   149.0884330
   55.40877920
   35.49844660
   21.98907770
   5.049550440
   1.044822290
   .5968733400
   .9824487110E-01
   .3746289490E-01
 -.000654784894  .000150306471 /
 -.003042775302  .000698473256 /
 -.012162617808  .002792624149 /
 -.033291116152  .007645704527 /
  .179984964250 -.041648268820 /
  .129325823320 -.029816937503 /
 -.308289350122  .072158295203 /
 -.376203026448  .090042179409 /
 1.107565425684 -.297109331932 /
 -.675145536654  .295063341595 /
 -.630294117789  .327881733451  1.0 /
 -.007078974719 -.746022503765  0.0  1.0 /
  .038709943449 -.433906128193  0.0  0.0  1.0
   10    4
   4040.966310
   876.2409670
   261.9688860
   39.97278200
   19.62336510
   13.97294910
   5.912430200
   1.063694170
   .3989446680
   .6900000000E-01
 -.004324022745 /
 -.023098984365 /
 -.060367408021 /
  .188504752949 /
  .151239109984 /
 -.167824968375 /
 -.476806653703 /
  .731928549010  1.0 /
  .401955720764  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   544.7880510
   157.3063640
   56.66828410
   10.58872470
   5.463258390
   1.117660620
   .4188744400
   .1392230010
   .4630000000E-01
  .005266361964 /
  .030128994159 /
  .065792225243 /
 -.123176321292 /
 -.126741228478 /
  .348611197699 /
  .535158658074  1.0 /
  .308699098064  0.0  1.0 /
  .024253699242  0.0  0.0  1.0
    6    2
   58.29124200
   18.61193600
   6.866127200
   2.540624000
   .8579950000
   .3111669780
   .095422363000   .000000000000
   .327623580000   .000000000000
   .472872890000   .000000000000
   .357926370000   .000000000000
   .121119030000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: W-NP-(d4s2)5D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   557120.0000
   120871.0000
   37273.70000
   12819.90000
   4744.800000
   1781.440000
   701.0840000
   322.7560000
   109.9770000
   59.24460000
   13.40930000
   7.328880000
   3.299760000
   1.281500000

   .045971933071
   .040879088000
   .066136459500
   .100457871429
   .135138055000
   .174385713571
   .310857947857
   .349913622143
   .393567195000
   .799785100000
   .770999150000
   .811209507143
   .256917817857
   .029494826571
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5127.19200      895.892370      210.901780      45.8713540
   34649720.00
   5188661.000
   1180797.500
   334448.3300
   109103.9100
   39383.16800
   15356.84100
   6366.306400
   2773.619800
   1258.054500
   585.9511300
   260.7542700
   133.2636600
   67.33580100
   30.20985100
   15.80463800
   6.756656500
   3.334652100
   1.275000500
   .5823451300
   .1185818400
   .4606319700E-01
   .001113541300   .000422026701  -.000200329628  -.000098422003
   .002684289810   .001020125000  -.000484519835  -.000238056850
   .006217463820   .002372462910  -.001127229690  -.000553984320
   .012896578000   .004962795110  -.002362681670  -.001161264900
   .025967401100   .010112177000  -.004817319250  -.002369935500
   .050412200100   .020106698100  -.009639543290  -.004742304200
   .095708771300   .039442050100  -.018929913800  -.009340989000
   .172022740000   .075953784200  -.037149905600  -.018328636000
   .273035911000   .133139600000  -.065493066300  -.032615723000
   .323095681000   .192284881000  -.100274939000  -.049939452000
   .211305981000   .113558390000  -.054109166400  -.027732941000
   .040991656100  -.266449491000   .193854628000   .109353740000
  -.003362355610  -.559538912000   .583604633000   .338019130000
   .001768764500  -.318064651000   .256706317000   .173635490000
  -.000965631433  -.022978817100  -.820536991000  -.897619690000
   .000544806691  -.000344394741  -.507065474000  -.570012960000
  -.000261032981   .000992831743  -.059154071300   .934650400000
   .000141800050  -.000524760032   .011839246900   .577734710000
  -.000057168792   .000234653101  -.004561203750   .024786444000
   .000022930617  -.000102816840   .001888352080  -.000877756350
  -.000005426409   .000024216160  -.000437094015   .000177004750
   .000002253297  -.000010195251   .000183315408  -.000057907443
   18    3
  786.537390      177.713700      34.7236800
   85893.10500
   20339.47700
   6604.591000
   2525.291300
   1071.187200
   488.4798400
   234.3318300
   116.4413900
   58.34650200
   30.13146500
   15.61531300
   7.685109500
   3.738518000
   1.556201500
   .7069138100
   .2876764700
   .8470131300E-01
   .3290228300E-01
   .001494637500  -.000763348275  -.000371292820
   .004596704890  -.002364213810  -.001151381800
   .014458787000  -.007511329750  -.003669520300
   .042875028900  -.022656959100  -.011098310000
   .113601610000  -.061932672400  -.030619586000
   .244618749000  -.139692651000  -.069671093100
   .368235529000  -.221437341000  -.112490000000
   .306469019000  -.132329851000  -.056885066100
   .097929370800   .276970682000   .208910850000
   .004430999390   .567440793000   .467427271000
   .001133169200   .275876252000   .027158525000
  -.000639970279   .029795385200  -.647913011000
   .000232465209   .000516012093  -.472813761000
  -.000114877140   .000162623421  -.054514452100
   .000060161724  -.000074654753   .003948878400
  -.000022110609   .000018154058  -.001349505500
   .000007750066  -.000006482246   .000436333430
  -.000002938353   .000002499787  -.000156243810
   14    2
  137.974490      20.0258530
   3623.057000
   1095.750000
   427.6535400
   189.0349100
   89.97066500
   44.56261700
   22.63039300
   11.31189300
   5.517235000
   2.603520600
   1.044099900
   .4062905800
   .1426102300
   .5005697300E-01
   .001272536890  -.000634364106
   .008378784760  -.004219806870
   .039011481800  -.019769673900
   .128435099000  -.066649885600
   .288152528000  -.149772709000
   .400755368000  -.196046219000
   .278471889000  -.012295983900
   .071961424600   .371928388000
   .003854943380   .497009717000
   .000755364956   .234226749000
  -.000101179819   .026006068800
   .000059833889  -.001342499190
  -.000025547860   .000627317506
   .000007969848  -.000194787499
    9    1
  3.66285580
   310.8831500
   107.5353100
   45.33482600
   20.72549000
   9.755445900
   4.522090100
   2.000945300
   .7890678800
   .3111669800
   .002936641610
   .022235178100
   .087972677400
   .219592021000
   .343515651000
   .360594922000
   .251034081000
   .088558071400
   .006224540930
*
Spectral Representation Operator
External primitive basis
    3
   21
   679966.9660
   57095.38250
   8332.636450
   1650.714190
   149.0884330
   55.40877920
   35.49844660
   21.98907770
   5.049550440
   1.044822290
   .5968733400
   .9824487110E-01
   .3746289490E-01
34649720.000000000
5188661.000000000
1180797.500000000
109103.910000000
15356.841000000
2773.619800000
585.951130000
260.754270000
   16
   4040.966310
   876.2409670
   261.9688860
   39.97278200
   19.62336510
   13.97294910
   5.912430200
   1.063694170
   .3989446680
   .6900000000E-01
85893.105000000
20339.477000000
2525.291300000
488.479840000
116.441390000
58.346502000
   12
   544.7880510
   157.3063640
   56.66828410
   10.58872470
   5.463258390
   1.117660620
   .4188744400
   .1392230010
   .4630000000E-01
3623.057000000
1095.750000000
22.630393000
    7
   58.29124200
   18.61193600
   6.866127200
   2.540624000
   .8579950000
   .3111669780
310.883150000
Exchange
NoPair
End of Spectral Representation Operator

/W.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.14e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*W-NP-(d4s2)5D-(A3/91/9/51)
 14.000000         3

   13    5
   679966.9660
   57095.38250
   8332.636450
   1650.714190
   149.0884330
   55.40877920
   35.49844660
   21.98907770
   5.049550440
   1.044822290
   .5968733400
   .9824487110E-01
   .3746289490E-01
 -.000654784894  .000150306471 /
 -.003042775302  .000698473256 /
 -.012162617808  .002792624149 /
 -.033291116152  .007645704527 /
  .179984964250 -.041648268820 /
  .129325823320 -.029816937503 /
 -.308289350122  .072158295203 /
 -.376203026448  .090042179409 /
 1.107565425684 -.297109331932 /
 -.675145536654  .295063341595 /
 -.630294117789  .327881733451  1.0 /
 -.007078974719 -.746022503765  0.0  1.0 /
  .038709943449 -.433906128193  0.0  0.0  1.0
   10    4
   4040.966310
   876.2409670
   261.9688860
   39.97278200
   19.62336510
   13.97294910
   5.912430200
   1.063694170
   .3989446680
   .6900000000E-01
 -.004324022745 /
 -.023098984365 /
 -.060367408021 /
  .188504752949 /
  .151239109984 /
 -.167824968375 /
 -.476806653703 /
  .731928549010  1.0 /
  .401955720764  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   544.7880510
   157.3063640
   56.66828410
   10.58872470
   5.463258390
   1.117660620
   .4188744400
   .1392230010
   .4630000000E-01
  .005266361964 /
  .030128994159 /
  .065792225243 /
 -.123176321292 /
 -.126741228478 /
  .348611197699 /
  .535158658074  1.0 /
  .308699098064  0.0  1.0 /
  .024253699242  0.0  0.0  1.0
    1    1
   .3111669780
  1.000000000000
*
* Core AIMP: W-NP-(d4s2)5D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   557120.0000
   120871.0000
   37273.70000
   12819.90000
   4744.800000
   1781.440000
   701.0840000
   322.7560000
   109.9770000
   59.24460000
   13.40930000
   7.328880000
   3.299760000
   1.281500000

   .045971933071
   .040879088000
   .066136459500
   .100457871429
   .135138055000
   .174385713571
   .310857947857
   .349913622143
   .393567195000
   .799785100000
   .770999150000
   .811209507143
   .256917817857
   .029494826571
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5127.19200      895.892370      210.901780      45.8713540
   34649720.00
   5188661.000
   1180797.500
   334448.3300
   109103.9100
   39383.16800
   15356.84100
   6366.306400
   2773.619800
   1258.054500
   585.9511300
   260.7542700
   133.2636600
   67.33580100
   30.20985100
   15.80463800
   6.756656500
   3.334652100
   1.275000500
   .5823451300
   .1185818400
   .4606319700E-01
   .001113541300   .000422026701  -.000200329628  -.000098422003
   .002684289810   .001020125000  -.000484519835  -.000238056850
   .006217463820   .002372462910  -.001127229690  -.000553984320
   .012896578000   .004962795110  -.002362681670  -.001161264900
   .025967401100   .010112177000  -.004817319250  -.002369935500
   .050412200100   .020106698100  -.009639543290  -.004742304200
   .095708771300   .039442050100  -.018929913800  -.009340989000
   .172022740000   .075953784200  -.037149905600  -.018328636000
   .273035911000   .133139600000  -.065493066300  -.032615723000
   .323095681000   .192284881000  -.100274939000  -.049939452000
   .211305981000   .113558390000  -.054109166400  -.027732941000
   .040991656100  -.266449491000   .193854628000   .109353740000
  -.003362355610  -.559538912000   .583604633000   .338019130000
   .001768764500  -.318064651000   .256706317000   .173635490000
  -.000965631433  -.022978817100  -.820536991000  -.897619690000
   .000544806691  -.000344394741  -.507065474000  -.570012960000
  -.000261032981   .000992831743  -.059154071300   .934650400000
   .000141800050  -.000524760032   .011839246900   .577734710000
  -.000057168792   .000234653101  -.004561203750   .024786444000
   .000022930617  -.000102816840   .001888352080  -.000877756350
  -.000005426409   .000024216160  -.000437094015   .000177004750
   .000002253297  -.000010195251   .000183315408  -.000057907443
   18    3
  786.537390      177.713700      34.7236800
   85893.10500
   20339.47700
   6604.591000
   2525.291300
   1071.187200
   488.4798400
   234.3318300
   116.4413900
   58.34650200
   30.13146500
   15.61531300
   7.685109500
   3.738518000
   1.556201500
   .7069138100
   .2876764700
   .8470131300E-01
   .3290228300E-01
   .001494637500  -.000763348275  -.000371292820
   .004596704890  -.002364213810  -.001151381800
   .014458787000  -.007511329750  -.003669520300
   .042875028900  -.022656959100  -.011098310000
   .113601610000  -.061932672400  -.030619586000
   .244618749000  -.139692651000  -.069671093100
   .368235529000  -.221437341000  -.112490000000
   .306469019000  -.132329851000  -.056885066100
   .097929370800   .276970682000   .208910850000
   .004430999390   .567440793000   .467427271000
   .001133169200   .275876252000   .027158525000
  -.000639970279   .029795385200  -.647913011000
   .000232465209   .000516012093  -.472813761000
  -.000114877140   .000162623421  -.054514452100
   .000060161724  -.000074654753   .003948878400
  -.000022110609   .000018154058  -.001349505500
   .000007750066  -.000006482246   .000436333430
  -.000002938353   .000002499787  -.000156243810
   14    2
  137.974490      20.0258530
   3623.057000
   1095.750000
   427.6535400
   189.0349100
   89.97066500
   44.56261700
   22.63039300
   11.31189300
   5.517235000
   2.603520600
   1.044099900
   .4062905800
   .1426102300
   .5005697300E-01
   .001272536890  -.000634364106
   .008378784760  -.004219806870
   .039011481800  -.019769673900
   .128435099000  -.066649885600
   .288152528000  -.149772709000
   .400755368000  -.196046219000
   .278471889000  -.012295983900
   .071961424600   .371928388000
   .003854943380   .497009717000
   .000755364956   .234226749000
  -.000101179819   .026006068800
   .000059833889  -.001342499190
  -.000025547860   .000627317506
   .000007969848  -.000194787499
    9    1
  3.66285580
   310.8831500
   107.5353100
   45.33482600
   20.72549000
   9.755445900
   4.522090100
   2.000945300
   .7890678800
   .3111669800
   .002936641610
   .022235178100
   .087972677400
   .219592021000
   .343515651000
   .360594922000
   .251034081000
   .088558071400
   .006224540930
*
Spectral Representation Operator
External primitive basis
    3
   21
   679966.9660
   57095.38250
   8332.636450
   1650.714190
   149.0884330
   55.40877920
   35.49844660
   21.98907770
   5.049550440
   1.044822290
   .5968733400
   .9824487110E-01
   .3746289490E-01
34649720.000000000
5188661.000000000
1180797.500000000
109103.910000000
15356.841000000
2773.619800000
585.951130000
260.754270000
   16
   4040.966310
   876.2409670
   261.9688860
   39.97278200
   19.62336510
   13.97294910
   5.912430200
   1.063694170
   .3989446680
   .6900000000E-01
85893.105000000
20339.477000000
2525.291300000
488.479840000
116.441390000
58.346502000
   12
   544.7880510
   157.3063640
   56.66828410
   10.58872470
   5.463258390
   1.117660620
   .4188744400
   .1392230010
   .4630000000E-01
3623.057000000
1095.750000000
22.630393000
    7
   58.29124200
   18.61193600
   6.866127200
   2.540624000
   .8579950000
   .3111669780
310.883150000
Exchange
NoPair
End of Spectral Representation Operator

/Re.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.15e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*RE-NP-(d5s2)6S-(A3/91/9/51)
 15.000000         3

   13    5
   711410.5670
   59280.68730
   8622.059960
   1713.657080
   153.4368230
   57.23441010
   34.85998880
   22.83522950
   5.272314470
   1.092037580
   .6231358280
   .1063882720
   .4004388940E-01
 -.000670154851  .000201542830 /
 -.003103732302  .000933418465 /
 -.012258499143  .003687396797 /
 -.033081376241  .009952470853 /
  .182997284031 -.055380828912 /
  .104825874580 -.031766782202 /
 -.307544477047  .094569679958 /
 -.355223487869  .110092852179 /
 1.104901839540 -.377140692011 /
 -.706329396502  .367968640064 /
 -.562027425125  .341125260685  1.0 /
 -.056917879371 -.702422877543  0.0  1.0 /
  .006284540351 -.476533481636  0.0  0.0  1.0
   10    4
   4194.301010
   907.8465170
   271.1176830
   41.08718830
   19.81780160
   13.76058870
   6.121234300
   1.134559440
   .4272993240
   .7300000000E-01
 -.004452670530 /
 -.023660069211 /
 -.061794240659 /
  .198509407277 /
  .139453557140 /
 -.169874497942 /
 -.481303610115 /
  .739965862437  1.0 /
  .397589754601  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    1
   561.8287200
   162.3450770
   58.63737600
   11.05890640
   5.737940380
   1.206606550
   .4621330220
   .1569422240
   .5330000000E-01
  .005694052390 /
  .032451696426 /
  .070564708864 /
 -.131635132220 /
 -.136329241154 /
  .368288448929 /
  .537623847967  1.0 /
  .280480242564  0.0  1.0 /
  .017794418903  0.0  0.0  1.0
    6    2
   63.04834200
   20.24913600
   7.546417200
   2.834384000
   .9743070000
   .3518012650
   .090861845000   .000000000000
   .319953200000   .000000000000
   .473194080000   .000000000000
   .361582940000   .000000000000
   .119418270000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: RE-NP-(d5s2)6S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   552011.0000
   119096.0000
   36660.50000
   12544.20000
   4588.680000
   1704.270000
   678.4810000
   316.2500000
   108.3550000
   60.36350000
   13.65550000
   7.424770000
   3.419030000
   1.380730000

   .044088038067
   .039362492000
   .063572237400
   .097002290000
   .130007736667
   .169546571333
   .302719640667
   .309747222000
   .394684054000
   .711868053333
   .769995246667
   .729982453333
   .215282848000
   .022141116933
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5285.78270      927.599370      219.415450      48.2081170
   35781883.00
   5358191.000
   1219376.200
   345374.9500
   112668.3100
   40669.76800
   15858.49700
   6574.247300
   2864.195200
   1299.129000
   605.1484400
   269.8716900
   137.9135500
   69.67583900
   31.27731800
   16.38298000
   7.023469000
   3.490206700
   1.360697600
   .6207302200
   .1254466100
   .4816999800E-01
   .001155795710  -.000440039011  -.000209270339  -.000103156480
   .002773456730  -.001058830200  -.000503845717  -.000248375949
   .006399997560  -.002453354400  -.001167857190  -.000575859259
   .013217765100  -.005109948010  -.002437326390  -.001201959800
   .026496645200  -.010367174000  -.004948301070  -.002442455490
   .051172188500  -.020506979000  -.009850374250  -.004862443190
   .096607415900  -.040007520000  -.019239470900  -.009525100180
   .172633132000  -.076573835100  -.037528093800  -.018579456000
   .272692383000  -.133488030000  -.065787231600  -.032868605900
   .321911663000  -.191692120000  -.100139789000  -.050048001900
   .210806452000  -.112020690000  -.053101987700  -.027258072900
   .041207559400   .266409090000   .194503439000   .110097990000
  -.003257404730   .558713021000   .584052167000   .339877299000
   .001731666620   .318194690000   .255394969000   .172694110000
  -.000948442729   .022871774000  -.821882336000  -.904378968000
   .000537792815   .000424523240  -.504930137000  -.567643999000
  -.000260982132  -.001054886000  -.060066583700   .935908908000
   .000143814161   .000570198181   .012490070900   .577393299000
  -.000057940033  -.000253501030  -.004800085870   .025589094900
   .000022627176   .000108175080   .001940410990  -.000844063228
  -.000005248190  -.000024934292  -.000438631278   .000188261770
   .000002175900   .000010309438   .000182795099  -.000062816860
   18    3
  812.859340      184.750280      36.5656370
   89387.68000
   21166.72300
   6873.259300
   2628.132700
   1114.907900
   508.5075700
   244.0152200
   121.3268900
   60.91324700
   31.49017400
   16.34639800
   8.053427800
   3.936358100
   1.656156400
   .7562728600
   .3088278300
   .8960472200E-01
   .3440714200E-01
   .001525937580  -.000781413603  -.000381726949
   .004650541850  -.002398524580  -.001173181600
   .014507835800  -.007557431930  -.003708208690
   .042724399500  -.022639907800  -.011138427000
   .112739869000  -.061609836400  -.030593276900
   .242673087000  -.138876279000  -.069559231800
   .366779346000  -.220899918000  -.112701660000
   .308306956000  -.135463979000  -.058943941800
   .100444319000   .269959707000   .205166199000
   .004927967340   .567081685000   .469382119000
   .001107637890   .281923967000   .037584016900
  -.000630820363   .031477373700  -.645120098000
   .000230820587   .000404543356  -.478918879000
  -.000114422119   .000202384568  -.056235491800
   .000059852131  -.000100967419   .003874213490
  -.000021461616   .000024648746  -.001331842100
   .000007349452  -.000008864611   .000414836519
  -.000002779321   .000003395251  -.000148079820
   14    2
  143.751980      21.3508260
   3733.690500
   1129.274300
   440.7743900
   194.8747800
   92.78086500
   45.98227700
   23.36842900
   11.69640200
   5.721217000
   2.719506400
   1.119226400
   .4443914900
   .1590647300
   .5693535400E-01
   .001292128310  -.000649194051
   .008451431080  -.004289235210
   .039221485400  -.020034928000
   .128923651000  -.067429198100
   .288904473000  -.151367240000
   .400878344000  -.197332100000
   .277230233000  -.010062575000
   .071332576700   .375864241000
   .003782289440   .496578261000
   .000746829537   .228433780000
  -.000115959451   .024872484000
   .000063924476  -.001126268800
  -.000026988892   .000451788191
   .000008571787  -.000160670460
    9    1
  4.40632120
   332.5460200
   115.1669400
   48.68767700
   22.33074400
   10.56765900
   4.936725700
   2.208529500
   .8814553100
   .3518012600
   .002795302480
   .021315355800
   .085326311300
   .215979378000
   .343025617000
   .363288037000
   .250417178000
   .084667748300
   .005377787950
*
Spectral Representation Operator
External primitive basis
    3
   21
   711410.5670
   59280.68730
   8622.059960
   1713.657080
   153.4368230
   57.23441010
   34.85998880
   22.83522950
   5.272314470
   1.092037580
   .6231358280
   .1063882720
   .4004388940E-01
35781883.000000000
5358191.000000000
1219376.200000000
112668.310000000
15858.497000000
2864.195200000
605.148440000
269.871690000
   16
   4194.301010
   907.8465170
   271.1176830
   41.08718830
   19.81780160
   13.76058870
   6.121234300
   1.134559440
   .4272993240
   .7300000000E-01
89387.680000000
21166.723000000
2628.132700000
508.507570000
121.326890000
60.913247000
   12
   561.8287200
   162.3450770
   58.63737600
   11.05890640
   5.737940380
   1.206606550
   .4621330220
   .1569422240
   .5330000000E-01
3733.690500000
1129.274300000
23.368429000
    7
   63.04834200
   20.24913600
   7.546417200
   2.834384000
   .9743070000
   .3518012650
332.546020000
Exchange
NoPair
End of Spectral Representation Operator

/Re.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.15e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*RE-NP-(d5s2)6S-(A3/91/9/51)
 15.000000         3

   13    5
   711410.5670
   59280.68730
   8622.059960
   1713.657080
   153.4368230
   57.23441010
   34.85998880
   22.83522950
   5.272314470
   1.092037580
   .6231358280
   .1063882720
   .4004388940E-01
 -.000670154851  .000201542830 /
 -.003103732302  .000933418465 /
 -.012258499143  .003687396797 /
 -.033081376241  .009952470853 /
  .182997284031 -.055380828912 /
  .104825874580 -.031766782202 /
 -.307544477047  .094569679958 /
 -.355223487869  .110092852179 /
 1.104901839540 -.377140692011 /
 -.706329396502  .367968640064 /
 -.562027425125  .341125260685  1.0 /
 -.056917879371 -.702422877543  0.0  1.0 /
  .006284540351 -.476533481636  0.0  0.0  1.0
   10    4
   4194.301010
   907.8465170
   271.1176830
   41.08718830
   19.81780160
   13.76058870
   6.121234300
   1.134559440
   .4272993240
   .7300000000E-01
 -.004452670530 /
 -.023660069211 /
 -.061794240659 /
  .198509407277 /
  .139453557140 /
 -.169874497942 /
 -.481303610115 /
  .739965862437  1.0 /
  .397589754601  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    1
   561.8287200
   162.3450770
   58.63737600
   11.05890640
   5.737940380
   1.206606550
   .4621330220
   .1569422240
   .5330000000E-01
  .005694052390 /
  .032451696426 /
  .070564708864 /
 -.131635132220 /
 -.136329241154 /
  .368288448929 /
  .537623847967  1.0 /
  .280480242564  0.0  1.0 /
  .017794418903  0.0  0.0  1.0
    1    1
   .3518012650
  1.000000000000
*
* Core AIMP: RE-NP-(d5s2)6S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   552011.0000
   119096.0000
   36660.50000
   12544.20000
   4588.680000
   1704.270000
   678.4810000
   316.2500000
   108.3550000
   60.36350000
   13.65550000
   7.424770000
   3.419030000
   1.380730000

   .044088038067
   .039362492000
   .063572237400
   .097002290000
   .130007736667
   .169546571333
   .302719640667
   .309747222000
   .394684054000
   .711868053333
   .769995246667
   .729982453333
   .215282848000
   .022141116933
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5285.78270      927.599370      219.415450      48.2081170
   35781883.00
   5358191.000
   1219376.200
   345374.9500
   112668.3100
   40669.76800
   15858.49700
   6574.247300
   2864.195200
   1299.129000
   605.1484400
   269.8716900
   137.9135500
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   .4816999800E-01
   .001155795710  -.000440039011  -.000209270339  -.000103156480
   .002773456730  -.001058830200  -.000503845717  -.000248375949
   .006399997560  -.002453354400  -.001167857190  -.000575859259
   .013217765100  -.005109948010  -.002437326390  -.001201959800
   .026496645200  -.010367174000  -.004948301070  -.002442455490
   .051172188500  -.020506979000  -.009850374250  -.004862443190
   .096607415900  -.040007520000  -.019239470900  -.009525100180
   .172633132000  -.076573835100  -.037528093800  -.018579456000
   .272692383000  -.133488030000  -.065787231600  -.032868605900
   .321911663000  -.191692120000  -.100139789000  -.050048001900
   .210806452000  -.112020690000  -.053101987700  -.027258072900
   .041207559400   .266409090000   .194503439000   .110097990000
  -.003257404730   .558713021000   .584052167000   .339877299000
   .001731666620   .318194690000   .255394969000   .172694110000
  -.000948442729   .022871774000  -.821882336000  -.904378968000
   .000537792815   .000424523240  -.504930137000  -.567643999000
  -.000260982132  -.001054886000  -.060066583700   .935908908000
   .000143814161   .000570198181   .012490070900   .577393299000
  -.000057940033  -.000253501030  -.004800085870   .025589094900
   .000022627176   .000108175080   .001940410990  -.000844063228
  -.000005248190  -.000024934292  -.000438631278   .000188261770
   .000002175900   .000010309438   .000182795099  -.000062816860
   18    3
  812.859340      184.750280      36.5656370
   89387.68000
   21166.72300
   6873.259300
   2628.132700
   1114.907900
   508.5075700
   244.0152200
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   31.49017400
   16.34639800
   8.053427800
   3.936358100
   1.656156400
   .7562728600
   .3088278300
   .8960472200E-01
   .3440714200E-01
   .001525937580  -.000781413603  -.000381726949
   .004650541850  -.002398524580  -.001173181600
   .014507835800  -.007557431930  -.003708208690
   .042724399500  -.022639907800  -.011138427000
   .112739869000  -.061609836400  -.030593276900
   .242673087000  -.138876279000  -.069559231800
   .366779346000  -.220899918000  -.112701660000
   .308306956000  -.135463979000  -.058943941800
   .100444319000   .269959707000   .205166199000
   .004927967340   .567081685000   .469382119000
   .001107637890   .281923967000   .037584016900
  -.000630820363   .031477373700  -.645120098000
   .000230820587   .000404543356  -.478918879000
  -.000114422119   .000202384568  -.056235491800
   .000059852131  -.000100967419   .003874213490
  -.000021461616   .000024648746  -.001331842100
   .000007349452  -.000008864611   .000414836519
  -.000002779321   .000003395251  -.000148079820
   14    2
  143.751980      21.3508260
   3733.690500
   1129.274300
   440.7743900
   194.8747800
   92.78086500
   45.98227700
   23.36842900
   11.69640200
   5.721217000
   2.719506400
   1.119226400
   .4443914900
   .1590647300
   .5693535400E-01
   .001292128310  -.000649194051
   .008451431080  -.004289235210
   .039221485400  -.020034928000
   .128923651000  -.067429198100
   .288904473000  -.151367240000
   .400878344000  -.197332100000
   .277230233000  -.010062575000
   .071332576700   .375864241000
   .003782289440   .496578261000
   .000746829537   .228433780000
  -.000115959451   .024872484000
   .000063924476  -.001126268800
  -.000026988892   .000451788191
   .000008571787  -.000160670460
    9    1
  4.40632120
   332.5460200
   115.1669400
   48.68767700
   22.33074400
   10.56765900
   4.936725700
   2.208529500
   .8814553100
   .3518012600
   .002795302480
   .021315355800
   .085326311300
   .215979378000
   .343025617000
   .363288037000
   .250417178000
   .084667748300
   .005377787950
*
Spectral Representation Operator
External primitive basis
    3
   21
   711410.5670
   59280.68730
   8622.059960
   1713.657080
   153.4368230
   57.23441010
   34.85998880
   22.83522950
   5.272314470
   1.092037580
   .6231358280
   .1063882720
   .4004388940E-01
35781883.000000000
5358191.000000000
1219376.200000000
112668.310000000
15858.497000000
2864.195200000
605.148440000
269.871690000
   16
   4194.301010
   907.8465170
   271.1176830
   41.08718830
   19.81780160
   13.76058870
   6.121234300
   1.134559440
   .4272993240
   .7300000000E-01
89387.680000000
21166.723000000
2628.132700000
508.507570000
121.326890000
60.913247000
   12
   561.8287200
   162.3450770
   58.63737600
   11.05890640
   5.737940380
   1.206606550
   .4621330220
   .1569422240
   .5330000000E-01
3733.690500000
1129.274300000
23.368429000
    7
   63.04834200
   20.24913600
   7.546417200
   2.834384000
   .9743070000
   .3518012650
332.546020000
Exchange
NoPair
End of Spectral Representation Operator

/Os.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.16e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*OS-NP-(d6s2)5D-(A3/91/9/51)
 16.000000         3

   13    5
   738398.8570
   61061.62360
   8783.576880
   1767.536370
   158.7369660
   58.32845880
   35.37162130
   23.21864620
   5.496166940
   1.179731430
   .6840369880
   .1145407070
   .4276153970E-01
 -.000689845564  .000248026169 /
 -.003201860928  .001151190714 /
 -.012505450824  .004497089879 /
 -.032816656370  .011802572181 /
  .184034168178 -.066549374911 /
  .106017933709 -.038388705921 /
 -.341598778227  .125394158148 /
 -.324943502605  .120142803808 /
 1.108386662422 -.447973263229 /
 -.659201843579  .401662901209 /
 -.581145330426  .380869379622  1.0 /
 -.095040868347 -.701738474968  0.0  1.0 /
 -.015750682543 -.472995869549  0.0  0.0  1.0
   10    4
   4358.905490
   941.2261360
   280.5967330
   42.35705480
   20.57947350
   13.78369730
   6.366766950
   1.206648290
   .4559491410
   .7700000000E-01
 -.004574545690 /
 -.024197842882 /
 -.063229854054 /
  .205764933134 /
  .126256960135 /
 -.163420442875 /
 -.489496915533 /
  .748972226486  1.0 /
  .391868714822  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   582.6922990
   168.3539420
   60.84594000
   11.48626660
   6.007165900
   1.299079100
   .4997742740
   .1687657450
   .5700000000E-01
  .005961517541 /
  .034003105990 /
  .074204643922 /
 -.138842611596 /
 -.141664487201 /
  .379138864774 /
  .533828052583  1.0 /
  .274611484936  0.0  1.0 /
  .017937490905  0.0  0.0  1.0
    6    2
   67.87353300
   21.91277700
   8.239433300
   3.135450000
   1.095120000
   .3940222760
   .086894155000   .000000000000
   .313010290000   .000000000000
   .473318940000   .000000000000
   .364999200000   .000000000000
   .117998580000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: OS-NP-(d6s2)5D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   546955.0000
   117424.0000
   35927.30000
   12247.20000
   4480.180000
   1660.790000
   669.1020000
   314.4660000
   108.7160000
   61.85030000
   14.04350000
   7.633790000
   3.583180000
   1.490840000

   .042447546937
   .038091044313
   .061723692437
   .093328177500
   .123717205000
   .163800330000
   .291413630000
   .278476708125
   .388196226875
   .644562918750
   .749363018750
   .671170518750
   .186409378125
   .017299610875
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5447.55190      960.118150      228.207760      50.6618620
   36938369.00
   5531366.400
   1258787.600
   356538.3800
   116310.2100
   41984.41600
   16371.11200
   6786.739500
   2956.757600
   1341.108900
   624.7775300
   279.2279200
   142.6734300
   72.06801200
   32.36902200
   16.97575600
   7.297508900
   3.651518900
   1.450859800
   .6623514400
   .1342605200
   .5096179000E-01
   .001199893500  -.000458932069  -.000218653281  -.000108142629
   .002866002000  -.001099211700  -.000524015272  -.000259185399
   .006588603600  -.002537382990  -.001210076600  -.000598674677
   .013548033000  -.005262091490  -.002514508910  -.001244198790
   .027038684000  -.010629771000  -.005083171820  -.002517418990
   .051947615000  -.020917449900  -.010066386000  -.004986014980
   .097522755000  -.040585572900  -.019555343100  -.009713716450
   .173257840000  -.077204912800  -.037911002100  -.018834487900
   .272352590000  -.133839450000  -.066080275200  -.033123077800
   .320706540000  -.191070529000  -.099980966400  -.050145267800
   .210273800000  -.110438430000  -.052058983200  -.026761153900
   .041421029000   .266412299000   .195177771000   .110863509000
  -.003151054400   .557906518000   .584473102000   .341731398000
   .001696475000   .318246039000   .253937541000   .171642169000
  -.000933951040   .022755614900  -.823187053000  -.911155365000
   .000533270990   .000507368839  -.502739532000  -.565257727000
  -.000262815590  -.001121840100  -.061018581200   .937502975000
   .000147228420   .000620965108   .013196742000   .576712127000
  -.000059569566  -.000275794019  -.005076852220   .026473731900
   .000022789160   .000115119710   .002012875410  -.000825894696
  -.000005191123  -.000026016798  -.000446208732   .000203076959
   .000002129968   .000010711309   .000183807871  -.000068212773
   18    3
  839.731510      191.998560      38.5020680
   92913.91400
   22001.50600
   7144.389700
   2731.920900
   1159.034200
   528.7227200
   253.7914300
   126.2608000
   63.50515700
   32.86181400
   17.08361400
   8.425792300
   4.137649500
   1.757920600
   .8064628800
   .3298975500
   .9590037000E-01
   .3640127900E-01
   .001559139610  -.000800506897  -.000392757990
   .004709968340  -.002435776120  -.001196625700
   .014574834100  -.007612805370  -.003751818900
   .042628079400  -.022650621200  -.011192765000
   .112009871000  -.061356861500  -.030601783000
   .240931692000  -.138172411000  -.069504814000
   .365391383000  -.220393532000  -.112929440000
   .309893013000  -.138207461000  -.060787564000
   .102760091000   .263650952000   .201911330000
   .005409247450   .566619125000   .471288070000
   .001080328910   .287378323000   .046854130000
  -.000620787696   .033036309300  -.642827340000
   .000228599652   .000295299083  -.484116840000
  -.000113549921   .000239084492  -.057731188000
   .000059441351  -.000125384831   .003792816400
  -.000020956261   .000030527429  -.001321058800
   .000007119583  -.000011114778   .000401283490
  -.000002658878   .000004173788  -.000141656320
   14    2
  149.704310      22.7556260
   3778.993700
   1142.978300
   446.0899500
   197.1869100
   93.85151900
   46.50094000
   23.61467200
   11.80821200
   5.777543800
   2.754347700
   1.161286600
   .4641207800
   .1663104400
   .5959475400E-01
   .001354184490  -.000685667479
   .008810007350  -.004505227190
   .040676957800  -.020947889000
   .132887999000  -.070064896900
   .294823898000  -.155623440000
   .402180498000  -.197952610000
   .269544439000   .003077911590
   .066266318700   .391572139000
   .003244143080   .492717789000
   .000695287216   .210879490000
  -.000125880039   .020967723000
   .000059311318  -.000423156149
  -.000027097943   .000298486199
   .000008102171  -.000079145445
    9    1
  5.22440450
   354.4213700
   122.8805100
   52.07603400
   23.95496200
   11.39041000
   5.357902900
   2.420435400
   .9765784500
   .3940222800
   .002674829480
   .020516554800
   .083009332400
   .212740218000
   .342551517000
   .365698987000
   .249850058000
   .081231021400
   .004708451860
*
Spectral Representation Operator
External primitive basis
    3
   21
   738398.8570
   61061.62360
   8783.576880
   1767.536370
   158.7369660
   58.32845880
   35.37162130
   23.21864620
   5.496166940
   1.179731430
   .6840369880
   .1145407070
   .4276153970E-01
36938369.000000000
5531366.400000000
1258787.600000000
116310.210000000
16371.112000000
2956.757600000
624.777530000
279.227920000
   16
   4358.905490
   941.2261360
   280.5967330
   42.35705480
   20.57947350
   13.78369730
   6.366766950
   1.206648290
   .4559491410
   .7700000000E-01
92913.914000000
22001.506000000
2731.920900000
528.722720000
126.260800000
63.505157000
   12
   582.6922990
   168.3539420
   60.84594000
   11.48626660
   6.007165900
   1.299079100
   .4997742740
   .1687657450
   .5700000000E-01
3778.993700000
1142.978300000
23.614672000
    7
   67.87353300
   21.91277700
   8.239433300
   3.135450000
   1.095120000
   .3940222760
354.421370000
Exchange
NoPair
End of Spectral Representation Operator

/Os.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.16e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*OS-NP-(d6s2)5D-(A3/91/9/51)
 16.000000         3

   13    5
   738398.8570
   61061.62360
   8783.576880
   1767.536370
   158.7369660
   58.32845880
   35.37162130
   23.21864620
   5.496166940
   1.179731430
   .6840369880
   .1145407070
   .4276153970E-01
 -.000689845564  .000248026169 /
 -.003201860928  .001151190714 /
 -.012505450824  .004497089879 /
 -.032816656370  .011802572181 /
  .184034168178 -.066549374911 /
  .106017933709 -.038388705921 /
 -.341598778227  .125394158148 /
 -.324943502605  .120142803808 /
 1.108386662422 -.447973263229 /
 -.659201843579  .401662901209 /
 -.581145330426  .380869379622  1.0 /
 -.095040868347 -.701738474968  0.0  1.0 /
 -.015750682543 -.472995869549  0.0  0.0  1.0
   10    4
   4358.905490
   941.2261360
   280.5967330
   42.35705480
   20.57947350
   13.78369730
   6.366766950
   1.206648290
   .4559491410
   .7700000000E-01
 -.004574545690 /
 -.024197842882 /
 -.063229854054 /
  .205764933134 /
  .126256960135 /
 -.163420442875 /
 -.489496915533 /
  .748972226486  1.0 /
  .391868714822  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   582.6922990
   168.3539420
   60.84594000
   11.48626660
   6.007165900
   1.299079100
   .4997742740
   .1687657450
   .5700000000E-01
  .005961517541 /
  .034003105990 /
  .074204643922 /
 -.138842611596 /
 -.141664487201 /
  .379138864774 /
  .533828052583  1.0 /
  .274611484936  0.0  1.0 /
  .017937490905  0.0  0.0  1.0
    1    1
   .3940222760
  1.000000000000
*
* Core AIMP: OS-NP-(d6s2)5D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   546955.0000
   117424.0000
   35927.30000
   12247.20000
   4480.180000
   1660.790000
   669.1020000
   314.4660000
   108.7160000
   61.85030000
   14.04350000
   7.633790000
   3.583180000
   1.490840000

   .042447546937
   .038091044313
   .061723692437
   .093328177500
   .123717205000
   .163800330000
   .291413630000
   .278476708125
   .388196226875
   .644562918750
   .749363018750
   .671170518750
   .186409378125
   .017299610875
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5447.55190      960.118150      228.207760      50.6618620
   36938369.00
   5531366.400
   1258787.600
   356538.3800
   116310.2100
   41984.41600
   16371.11200
   6786.739500
   2956.757600
   1341.108900
   624.7775300
   279.2279200
   142.6734300
   72.06801200
   32.36902200
   16.97575600
   7.297508900
   3.651518900
   1.450859800
   .6623514400
   .1342605200
   .5096179000E-01
   .001199893500  -.000458932069  -.000218653281  -.000108142629
   .002866002000  -.001099211700  -.000524015272  -.000259185399
   .006588603600  -.002537382990  -.001210076600  -.000598674677
   .013548033000  -.005262091490  -.002514508910  -.001244198790
   .027038684000  -.010629771000  -.005083171820  -.002517418990
   .051947615000  -.020917449900  -.010066386000  -.004986014980
   .097522755000  -.040585572900  -.019555343100  -.009713716450
   .173257840000  -.077204912800  -.037911002100  -.018834487900
   .272352590000  -.133839450000  -.066080275200  -.033123077800
   .320706540000  -.191070529000  -.099980966400  -.050145267800
   .210273800000  -.110438430000  -.052058983200  -.026761153900
   .041421029000   .266412299000   .195177771000   .110863509000
  -.003151054400   .557906518000   .584473102000   .341731398000
   .001696475000   .318246039000   .253937541000   .171642169000
  -.000933951040   .022755614900  -.823187053000  -.911155365000
   .000533270990   .000507368839  -.502739532000  -.565257727000
  -.000262815590  -.001121840100  -.061018581200   .937502975000
   .000147228420   .000620965108   .013196742000   .576712127000
  -.000059569566  -.000275794019  -.005076852220   .026473731900
   .000022789160   .000115119710   .002012875410  -.000825894696
  -.000005191123  -.000026016798  -.000446208732   .000203076959
   .000002129968   .000010711309   .000183807871  -.000068212773
   18    3
  839.731510      191.998560      38.5020680
   92913.91400
   22001.50600
   7144.389700
   2731.920900
   1159.034200
   528.7227200
   253.7914300
   126.2608000
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   32.86181400
   17.08361400
   8.425792300
   4.137649500
   1.757920600
   .8064628800
   .3298975500
   .9590037000E-01
   .3640127900E-01
   .001559139610  -.000800506897  -.000392757990
   .004709968340  -.002435776120  -.001196625700
   .014574834100  -.007612805370  -.003751818900
   .042628079400  -.022650621200  -.011192765000
   .112009871000  -.061356861500  -.030601783000
   .240931692000  -.138172411000  -.069504814000
   .365391383000  -.220393532000  -.112929440000
   .309893013000  -.138207461000  -.060787564000
   .102760091000   .263650952000   .201911330000
   .005409247450   .566619125000   .471288070000
   .001080328910   .287378323000   .046854130000
  -.000620787696   .033036309300  -.642827340000
   .000228599652   .000295299083  -.484116840000
  -.000113549921   .000239084492  -.057731188000
   .000059441351  -.000125384831   .003792816400
  -.000020956261   .000030527429  -.001321058800
   .000007119583  -.000011114778   .000401283490
  -.000002658878   .000004173788  -.000141656320
   14    2
  149.704310      22.7556260
   3778.993700
   1142.978300
   446.0899500
   197.1869100
   93.85151900
   46.50094000
   23.61467200
   11.80821200
   5.777543800
   2.754347700
   1.161286600
   .4641207800
   .1663104400
   .5959475400E-01
   .001354184490  -.000685667479
   .008810007350  -.004505227190
   .040676957800  -.020947889000
   .132887999000  -.070064896900
   .294823898000  -.155623440000
   .402180498000  -.197952610000
   .269544439000   .003077911590
   .066266318700   .391572139000
   .003244143080   .492717789000
   .000695287216   .210879490000
  -.000125880039   .020967723000
   .000059311318  -.000423156149
  -.000027097943   .000298486199
   .000008102171  -.000079145445
    9    1
  5.22440450
   354.4213700
   122.8805100
   52.07603400
   23.95496200
   11.39041000
   5.357902900
   2.420435400
   .9765784500
   .3940222800
   .002674829480
   .020516554800
   .083009332400
   .212740218000
   .342551517000
   .365698987000
   .249850058000
   .081231021400
   .004708451860
*
Spectral Representation Operator
External primitive basis
    3
   21
   738398.8570
   61061.62360
   8783.576880
   1767.536370
   158.7369660
   58.32845880
   35.37162130
   23.21864620
   5.496166940
   1.179731430
   .6840369880
   .1145407070
   .4276153970E-01
36938369.000000000
5531366.400000000
1258787.600000000
116310.210000000
16371.112000000
2956.757600000
624.777530000
279.227920000
   16
   4358.905490
   941.2261360
   280.5967330
   42.35705480
   20.57947350
   13.78369730
   6.366766950
   1.206648290
   .4559491410
   .7700000000E-01
92913.914000000
22001.506000000
2731.920900000
528.722720000
126.260800000
63.505157000
   12
   582.6922990
   168.3539420
   60.84594000
   11.48626660
   6.007165900
   1.299079100
   .4997742740
   .1687657450
   .5700000000E-01
3778.993700000
1142.978300000
23.614672000
    7
   67.87353300
   21.91277700
   8.239433300
   3.135450000
   1.095120000
   .3940222760
354.421370000
Exchange
NoPair
End of Spectral Representation Operator

/Ir.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.17e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*IR-NP-(d7s2)4F-(A3/91/9/51)
 17.000000         3

   13    5
   786802.3000
   64316.67760
   9137.227990
   1833.038660
   164.8515060
   59.37377460
   34.59222390
   23.76380190
   5.731384000
   1.244801270
   .7209270290
   .1232732120
   .4555070080E-01
 -.000689574833  .000307582232 /
 -.003204056991  .001429154956 /
 -.012458214658  .005557947017 /
 -.032343136629  .014430446300 /
  .181904819698 -.081553205023 /
  .097057518237 -.043601137595 /
 -.384231434568  .174967400888 /
 -.265381286109  .121173433042 /
 1.090809073035 -.540636586816 /
 -.652326946239  .478927677905 /
 -.536497132414  .401249444383  1.0 /
 -.144030745336 -.688389508065  0.0  1.0 /
 -.051300214060 -.476579183239  0.0  0.0  1.0
   10    4
   4533.497470
   976.4820100
   290.5702710
   43.40518430
   20.75141400
   13.32287450
   6.561332400
   1.284482830
   .4871597600
   .8100000000E-01
 -.004684178677 /
 -.024673231517 /
 -.064536378244 /
  .216709235437 /
  .109755432990 /
 -.168430717541 /
 -.487020539961 /
  .754847889712  1.0 /
  .390074930640  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   602.8830730
   174.1945550
   63.01763170
   11.97052740
   6.321228510
   1.390198730
   .5383170950
   .1822674040
   .6170000000E-01
  .006233600990 /
  .035538454766 /
  .077639609553 /
 -.144063814224 /
 -.148021285059 /
  .390333371638 /
  .530650054069  1.0 /
  .265770505035  0.0  1.0 /
  .017048336898  0.0  0.0  1.0
    6    2
   72.66477300
   23.56748500
   8.929802300
   3.436769000
   1.216413000
   .4365922480
   .083616677000   .000000000000
   .307153270000   .000000000000
   .473460980000   .000000000000
   .367770990000   .000000000000
   .116583760000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: IR-NP-(d7s2)4F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   549975.0000
   117494.0000
   35765.60000
   12166.60000
   4456.300000
   1664.160000
   677.7370000
   320.1130000
   111.7530000
   64.04990000
   14.61990000
   8.041340000
   3.857580000
   1.636180000

   .040695848824
   .036764720294
   .059504911176
   .089471472353
   .117008824706
   .155493388824
   .276686545882
   .256902711176
   .366967481176
   .603477335294
   .704699858824
   .632968164706
   .173684378824
   .015086127118
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5612.50010      993.412050      237.230940      53.1824280
   38103770.00
   5705873.400
   1298500.200
   367786.7100
   119979.7500
   43309.03400
   16887.62000
   7000.850700
   3050.032100
   1383.419200
   644.5674700
   288.6470800
   147.4623900
   74.47779400
   33.47200000
   17.57455400
   7.573265800
   3.815452900
   1.542710700
   .7034531200
   .1418811100
   .5331162400E-01
   .001246275700  -.000478888950  -.000228567161  -.000113424249
   .002962916100  -.001141677200  -.000545228352  -.000270581307
   .006785495100  -.002625459000  -.001254322500  -.000622642593
   .013891833000  -.005421065610  -.002595120910  -.001288404590
   .027602386000  -.010903641000  -.005223689620  -.002595663870
   .052755446000  -.021345502000  -.010291195000  -.005114709250
   .098486316000  -.041190122000  -.019884238100  -.009910019400
   .173947490000  -.077874145100  -.038312387100  -.019100047800
   .272072750000  -.134227560000  -.066389228200  -.033387307600
   .319472940000  -.190445800000  -.099815293400  -.050237468500
   .209611800000  -.108661440000  -.050889078200  -.026196534700
   .041568370000   .266872190000   .196215311000   .111850479000
  -.003046475400   .557056391000   .584983772000   .343639566000
   .001659978600   .317893640000   .251676191000   .170080698000
  -.000917610310   .022562497000  -.824894783000  -.918715830000
   .000526862400   .000600144471  -.500010922000  -.561652834000
  -.000263231260  -.001191792500  -.061846368200   .940365380000
   .000149649540   .000673064551   .013904152100   .574593804000
  -.000060580496  -.000297371180  -.005337165420   .027307834700
   .000022626201   .000121084340   .002069057610  -.000824681241
  -.000005050609  -.000026835981  -.000449140362   .000222677388
   .000002058015   .000010938160   .000183701721  -.000076121303
   18    3
  867.104910      199.407640      40.4821500
   96509.59900
   22852.71300
   7420.847600
   2837.747200
   1204.027900
   549.3363500
   263.7622900
   131.2948400
   66.15117400
   34.26141600
   17.83543600
   8.806350400
   4.344543300
   1.863032900
   .8577346500
   .3515711300
   .1013436500
   .3807973200E-01
   .001593633800  -.000820318851   .000404231651
   .004772723790  -.002474810900   .001221132600
   .014651751000  -.007673262510   .003798248410
   .042560876900  -.022675704000   .011254541000
   .111349270000  -.061138543100   .030627055100
   .239293459000  -.137519790000   .069475117200
   .364024609000  -.219885890000   .113154210000
   .311339399000  -.140740060000   .062522354200
   .104992390000   .257663130000  -.198861681000
   .005893918790   .566071921000  -.473132141000
   .001050907700   .292555440000  -.055611713200
  -.000609726929   .034551947100   .640745722000
   .000225639070   .000186369710   .488874601000
  -.000112073640   .000274300850   .059133459200
   .000058728603  -.000149206210  -.003677468810
  -.000020296712   .000035841085   .001304324700
   .000006810691  -.000013035380  -.000383921991
  -.000002531613   .000004789867   .000135271820
   14    2
  155.779480      24.1899700
   3841.548600
   1161.914300
   453.4615200
   200.4250100
   95.37445400
   47.25122400
   23.98238800
   11.98494700
   5.866914200
   2.800227300
   1.207849600
   .4876331300
   .1760708700
   .6357433500E-01
   .001406893080  -.000717830211
   .009101217990  -.004689135300
   .041827289500  -.021712623000
   .135971168000  -.072256086100
   .299356266000  -.159195700000
   .402985955000  -.198510150000
   .263555517000   .013816085000
   .062493116300   .404281250000
   .002866897670   .489431250000
   .000649880482   .196238070000
  -.000134205948   .017755097000
   .000056264227   .000151316270
  -.000027286346   .000161697420
   .000007829022  -.000015143697
    9    1
  6.06703580
   376.3021000
   130.6017500
   55.46611900
   25.58154300
   12.21491000
   5.780907200
   2.633878700
   1.072348400
   .4365922500
   .002574495400
   .019840269000
   .081042520900
   .209965090000
   .342189460000
   .367831590000
   .249125710000
   .078240096900
   .004200244590
*
Spectral Representation Operator
External primitive basis
    3
   21
   786802.3000
   64316.67760
   9137.227990
   1833.038660
   164.8515060
   59.37377460
   34.59222390
   23.76380190
   5.731384000
   1.244801270
   .7209270290
   .1232732120
   .4555070080E-01
38103770.000000000
5705873.400000000
1298500.200000000
119979.750000000
16887.620000000
3050.032100000
644.567470000
288.647080000
   16
   4533.497470
   976.4820100
   290.5702710
   43.40518430
   20.75141400
   13.32287450
   6.561332400
   1.284482830
   .4871597600
   .8100000000E-01
96509.599000000
22852.713000000
2837.747200000
549.336350000
131.294840000
66.151174000
   12
   602.8830730
   174.1945550
   63.01763170
   11.97052740
   6.321228510
   1.390198730
   .5383170950
   .1822674040
   .6170000000E-01
3841.548600000
1161.914300000
23.982388000
    7
   72.66477300
   23.56748500
   8.929802300
   3.436769000
   1.216413000
   .4365922480
376.302100000
Exchange
NoPair
End of Spectral Representation Operator

/Ir.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.17e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*IR-NP-(d7s2)4F-(A3/91/9/51)
 17.000000         3

   13    5
   786802.3000
   64316.67760
   9137.227990
   1833.038660
   164.8515060
   59.37377460
   34.59222390
   23.76380190
   5.731384000
   1.244801270
   .7209270290
   .1232732120
   .4555070080E-01
 -.000689574833  .000307582232 /
 -.003204056991  .001429154956 /
 -.012458214658  .005557947017 /
 -.032343136629  .014430446300 /
  .181904819698 -.081553205023 /
  .097057518237 -.043601137595 /
 -.384231434568  .174967400888 /
 -.265381286109  .121173433042 /
 1.090809073035 -.540636586816 /
 -.652326946239  .478927677905 /
 -.536497132414  .401249444383  1.0 /
 -.144030745336 -.688389508065  0.0  1.0 /
 -.051300214060 -.476579183239  0.0  0.0  1.0
   10    4
   4533.497470
   976.4820100
   290.5702710
   43.40518430
   20.75141400
   13.32287450
   6.561332400
   1.284482830
   .4871597600
   .8100000000E-01
 -.004684178677 /
 -.024673231517 /
 -.064536378244 /
  .216709235437 /
  .109755432990 /
 -.168430717541 /
 -.487020539961 /
  .754847889712  1.0 /
  .390074930640  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   602.8830730
   174.1945550
   63.01763170
   11.97052740
   6.321228510
   1.390198730
   .5383170950
   .1822674040
   .6170000000E-01
  .006233600990 /
  .035538454766 /
  .077639609553 /
 -.144063814224 /
 -.148021285059 /
  .390333371638 /
  .530650054069  1.0 /
  .265770505035  0.0  1.0 /
  .017048336898  0.0  0.0  1.0
    1    1
   .4365922480
  1.000000000000
*
* Core AIMP: IR-NP-(d7s2)4F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   549975.0000
   117494.0000
   35765.60000
   12166.60000
   4456.300000
   1664.160000
   677.7370000
   320.1130000
   111.7530000
   64.04990000
   14.61990000
   8.041340000
   3.857580000
   1.636180000

   .040695848824
   .036764720294
   .059504911176
   .089471472353
   .117008824706
   .155493388824
   .276686545882
   .256902711176
   .366967481176
   .603477335294
   .704699858824
   .632968164706
   .173684378824
   .015086127118
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5612.50010      993.412050      237.230940      53.1824280
   38103770.00
   5705873.400
   1298500.200
   367786.7100
   119979.7500
   43309.03400
   16887.62000
   7000.850700
   3050.032100
   1383.419200
   644.5674700
   288.6470800
   147.4623900
   74.47779400
   33.47200000
   17.57455400
   7.573265800
   3.815452900
   1.542710700
   .7034531200
   .1418811100
   .5331162400E-01
   .001246275700  -.000478888950  -.000228567161  -.000113424249
   .002962916100  -.001141677200  -.000545228352  -.000270581307
   .006785495100  -.002625459000  -.001254322500  -.000622642593
   .013891833000  -.005421065610  -.002595120910  -.001288404590
   .027602386000  -.010903641000  -.005223689620  -.002595663870
   .052755446000  -.021345502000  -.010291195000  -.005114709250
   .098486316000  -.041190122000  -.019884238100  -.009910019400
   .173947490000  -.077874145100  -.038312387100  -.019100047800
   .272072750000  -.134227560000  -.066389228200  -.033387307600
   .319472940000  -.190445800000  -.099815293400  -.050237468500
   .209611800000  -.108661440000  -.050889078200  -.026196534700
   .041568370000   .266872190000   .196215311000   .111850479000
  -.003046475400   .557056391000   .584983772000   .343639566000
   .001659978600   .317893640000   .251676191000   .170080698000
  -.000917610310   .022562497000  -.824894783000  -.918715830000
   .000526862400   .000600144471  -.500010922000  -.561652834000
  -.000263231260  -.001191792500  -.061846368200   .940365380000
   .000149649540   .000673064551   .013904152100   .574593804000
  -.000060580496  -.000297371180  -.005337165420   .027307834700
   .000022626201   .000121084340   .002069057610  -.000824681241
  -.000005050609  -.000026835981  -.000449140362   .000222677388
   .000002058015   .000010938160   .000183701721  -.000076121303
   18    3
  867.104910      199.407640      40.4821500
   96509.59900
   22852.71300
   7420.847600
   2837.747200
   1204.027900
   549.3363500
   263.7622900
   131.2948400
   66.15117400
   34.26141600
   17.83543600
   8.806350400
   4.344543300
   1.863032900
   .8577346500
   .3515711300
   .1013436500
   .3807973200E-01
   .001593633800  -.000820318851   .000404231651
   .004772723790  -.002474810900   .001221132600
   .014651751000  -.007673262510   .003798248410
   .042560876900  -.022675704000   .011254541000
   .111349270000  -.061138543100   .030627055100
   .239293459000  -.137519790000   .069475117200
   .364024609000  -.219885890000   .113154210000
   .311339399000  -.140740060000   .062522354200
   .104992390000   .257663130000  -.198861681000
   .005893918790   .566071921000  -.473132141000
   .001050907700   .292555440000  -.055611713200
  -.000609726929   .034551947100   .640745722000
   .000225639070   .000186369710   .488874601000
  -.000112073640   .000274300850   .059133459200
   .000058728603  -.000149206210  -.003677468810
  -.000020296712   .000035841085   .001304324700
   .000006810691  -.000013035380  -.000383921991
  -.000002531613   .000004789867   .000135271820
   14    2
  155.779480      24.1899700
   3841.548600
   1161.914300
   453.4615200
   200.4250100
   95.37445400
   47.25122400
   23.98238800
   11.98494700
   5.866914200
   2.800227300
   1.207849600
   .4876331300
   .1760708700
   .6357433500E-01
   .001406893080  -.000717830211
   .009101217990  -.004689135300
   .041827289500  -.021712623000
   .135971168000  -.072256086100
   .299356266000  -.159195700000
   .402985955000  -.198510150000
   .263555517000   .013816085000
   .062493116300   .404281250000
   .002866897670   .489431250000
   .000649880482   .196238070000
  -.000134205948   .017755097000
   .000056264227   .000151316270
  -.000027286346   .000161697420
   .000007829022  -.000015143697
    9    1
  6.06703580
   376.3021000
   130.6017500
   55.46611900
   25.58154300
   12.21491000
   5.780907200
   2.633878700
   1.072348400
   .4365922500
   .002574495400
   .019840269000
   .081042520900
   .209965090000
   .342189460000
   .367831590000
   .249125710000
   .078240096900
   .004200244590
*
Spectral Representation Operator
External primitive basis
    3
   21
   786802.3000
   64316.67760
   9137.227990
   1833.038660
   164.8515060
   59.37377460
   34.59222390
   23.76380190
   5.731384000
   1.244801270
   .7209270290
   .1232732120
   .4555070080E-01
38103770.000000000
5705873.400000000
1298500.200000000
119979.750000000
16887.620000000
3050.032100000
644.567470000
288.647080000
   16
   4533.497470
   976.4820100
   290.5702710
   43.40518430
   20.75141400
   13.32287450
   6.561332400
   1.284482830
   .4871597600
   .8100000000E-01
96509.599000000
22852.713000000
2837.747200000
549.336350000
131.294840000
66.151174000
   12
   602.8830730
   174.1945550
   63.01763170
   11.97052740
   6.321228510
   1.390198730
   .5383170950
   .1822674040
   .6170000000E-01
3841.548600000
1161.914300000
23.982388000
    7
   72.66477300
   23.56748500
   8.929802300
   3.436769000
   1.216413000
   .4365922480
376.302100000
Exchange
NoPair
End of Spectral Representation Operator

/Pt.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.18e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[KR,4D,4F] (A3/91/9/51)
*PT-NP-(d9s1)3D-(A3/91/9/51)
 18.000000         3

   13    5
   994692.8790
   77955.26950
   10772.63920
   1988.886760
   166.3744380
   79.70106650
   31.38866000
   24.99927280
   6.009604200
   1.346101550
   .7578332530
   .1229413050
   .4530230360E-01
     -.00065223  .00018041 /
     -.00307249  .00084987 /
     -.01236579  .00342135 /
     -.03480622  .00963122 /
      .19937838 -.05556235 /
      .03081747 -.00856100 /
     -.41255567  .11882530 /
     -.21818043  .06134001 /
     1.17130714 -.37406403 /
     -.68136243  .35259851 /
     -.62677713  .32335904  1.0 /
     -.04386110 -.67207408  0.0  1.0 /
      .01551508 -.49726874  0.0  0.0  1.0
   10    4
   4731.025940
   1015.733350
   301.4659010
   44.19478090
   20.04553780
   12.24703760
   6.650422480
   1.366323940
   .5149973050
   .8600000000E-01
     -.00474395 /
     -.02491310 /
     -.06540574 /
      .23035565 /
      .08794029 /
     -.19607717 /
     -.45798216 /
      .75356471  1.0 /
      .39706876  0.0  1.0 /
     0.0         0.0  0.0  1.0
    9    4
   627.5177710
   180.6606290
   65.26877720
   12.55029950
   6.765673860
   1.448560220
   .5454785530
   .1763934520
   .5700000000E-01
      .00623499 /
      .03579678 /
      .07852372 /
     -.13986199 /
     -.15164742 /
      .40177911 /
      .52379063 1.0 /
      .27265888 0.0  1.0 /
      .02102862 0.0  0.0  1.0
    6    2
   75.05053300
   24.41317700
   9.299443300
   3.616300000
   1.290000000
   .465940913
   .085516336000 /
   .312075000000 /
   .475614440000 /
   .360565360000 /
   .108710380000 /
  0.0             1.0
*
* Core AIMP: PT-NP-(d9s1)3D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   4481990.000
   196054.0000
   58500.90000
   19605.90000
   7108.010000
   2660.320000
   1006.410000
   440.4880000
   162.1730000
   74.74730000
   25.89250000
   12.49850000
   5.932530000
   2.341470000

   .030029300833
   .027915639167
   .045533389833
   .070781942222
   .098990431111
   .125523033333
   .210197228333
   .306534592778
   .226254827222
   .716420466667
   .135320408333
   .898374944444
   .400179903889
   .041277225722
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5780.45290      1027.25930      246.250250      55.5306320
   39153030.00
   5863120.100
   1334304.400
   377931.0600
   123287.6700
   44501.41400
   17351.81500
   7193.096000
   3133.772400
   1421.430600
   662.3269800
   296.7036100
   151.6327800
   76.62601200
   34.49011000
   18.11404000
   7.806192000
   3.956099000
   1.608257500
   .7120100000
   .1289162000
   .4863460000E-01
   .001297772610   .000501018299  -.000239539600  -.000119256360
   .003070791520   .001188820500  -.000568720910  -.000283158910
   .007005732730   .002723521900  -.001303425400  -.000649124960
   .014280291100   .005599383590  -.002685148700  -.001337455300
   .028251639100   .011214658000  -.005382229100  -.002683182900
   .053722445300   .021845688000  -.010551270000  -.005261212400
   .099735831500   .041925821000  -.020276750000  -.010138932000
   .175086421000   .078786955900  -.038836116000  -.019425422000
   .272269421000   .134906550000  -.066842334000  -.033727845000
   .318161342000   .190007740000  -.099767106100  -.050373777000
   .208088911000   .105551070000  -.048897019000  -.025225074000
   .041196653200  -.270891840000   .200168560000   .114608750000
  -.003005010410  -.555650939000   .586376030000   .345995710000
   .001636309210  -.314739670000   .243779770000   .165162460000
  -.000903636924  -.021730852000  -.829981650000  -.932623610000
   .000517790883  -.000811112399  -.493593650000  -.548289350000
  -.000258781851   .001293294000  -.061187254000   .951955010000
   .000146552001  -.000727459829   .014080352000   .562621970000
  -.000056723260   .000303915320  -.005147413000   .026931551000
   .000019756014  -.000115470710   .001873879200  -.000882884770
  -.000004267049   .000024716330  -.000393595790   .000249718400
   .000001833088  -.000010697603   .000169881660  -.000117672400
   18    3
  894.746130      206.741010      42.2687140
   99621.50800
   23589.61800
   7660.199000
   2929.353800
   1242.965300
   567.1625200
   272.3753700
   135.6288400
   68.39620000
   35.45437900
   18.47166100
   9.128884000
   4.522855000
   1.947939000
   .8922360000
   .3618590000
   .9208300000E-01
   .3473900000E-01
   .001637946410  -.000845264380   .000418345988
   .004868072840  -.002530907700   .001254323190
   .014836639100  -.007790956200   .003873562580
   .042819368300  -.022876154000   .011404771900
   .111489401000  -.061375215000   .030882856900
   .238992422000  -.137675490000   .069864012700
   .363407983000  -.219872830000   .113635419000
   .311429043000  -.141041370000   .062883937700
   .105556371000   .256813860000  -.199598829000
   .006046504450   .565713320000  -.475367298000
   .001032375610   .293416650000  -.055999327700
  -.000603399355   .034839942000   .642996947000
   .000222627152   .000126013040   .487761988000
  -.000107531551   .000269703330   .058052130700
   .000055156481  -.000154155180  -.003321024480
  -.000017491784   .000030056555   .001225897690
   .000005511973  -.000011858279  -.000302759689
  -.000002195730   .000004601430   .000118546559
   14    2
  161.740470      25.4186000
   3675.651400
   1111.543600
   433.5095100
   191.3128600
   90.78704300
   44.83156800
   22.59315800
   11.18903500
   5.425174000
   2.519960000
   1.106115000
   .4411150000
   .1554860000
   .5480633400E-01
   .001627786820  -.000837312473
   .010514794100  -.005458231220
   .047778510500  -.025036163100
   .152045841000  -.081516851300
   .321804133000  -.172163491000
   .404628414000  -.193197201000
   .233945522000   .067695451300
   .045488485400   .454259742000
   .001676895320   .464990912000
   .000398667204   .143524111000
  -.000089062233   .007050735030
   .000022984778   .001494412310
  -.000017564809  -.000139817781
   .000003779030   .000132403361
    9    1
  6.69829810
   395.4151500
   137.3436000
   58.41405800
   26.99215800
   12.92419700
   6.142292000
   2.813435000
   1.144943000
   .4659409100
   .002531455610
   .019552689100
   .080363939400
   .209511391000
   .343559442000
   .369531802000
   .245884811000
   .074024054400
   .003831397720
*
Spectral Representation Operator
External primitive basis
    3
   21
   994692.8790
   77955.26950
   10772.63920
   1988.886760
   166.3744380
   79.70106650
   31.38866000
   24.99927280
   6.009604200
   1.346101550
   .7578332530
   .1229413050
   .4530230360E-01
39153030.000000000
5863120.100000000
1334304.400000000
123287.670000000
17351.815000000
3133.772400000
662.326980000
296.703610000
   16
   4731.025940
   1015.733350
   301.4659010
   44.19478090
   20.04553780
   12.24703760
   6.650422480
   1.366323940
   .5149973050
   .8600000000E-01
99621.5077
23589.6182
2929.35380
567.162521
135.628840
68.396200
   12
   627.5177710
   180.6606290
   65.26877720
   12.55029950
   6.765673860
   1.448560220
   .5454785530
   .1763934520
   .5700000000E-01
3675.65139
1111.54363
22.593158
    7
   75.05053300
   24.41317700
   9.299443300
   3.616300000
   1.290000000
   .465940913
395.415150
Exchange
NoPair
End of Spectral Representation Operator

/Pt.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.18e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[KR,4D,4F] (A3/91/9/51)
*PT-NP-(d9s1)3D-(A3/91/9/51)
 18.000000         3

   13    5
   994692.8790
   77955.26950
   10772.63920
   1988.886760
   166.3744380
   79.70106650
   31.38866000
   24.99927280
   6.009604200
   1.346101550
   .7578332530
   .1229413050
   .4530230360E-01
     -.00065223  .00018041 /
     -.00307249  .00084987 /
     -.01236579  .00342135 /
     -.03480622  .00963122 /
      .19937838 -.05556235 /
      .03081747 -.00856100 /
     -.41255567  .11882530 /
     -.21818043  .06134001 /
     1.17130714 -.37406403 /
     -.68136243  .35259851 /
     -.62677713  .32335904  1.0 /
     -.04386110 -.67207408  0.0  1.0 /
      .01551508 -.49726874  0.0  0.0  1.0
   10    4
   4731.025940
   1015.733350
   301.4659010
   44.19478090
   20.04553780
   12.24703760
   6.650422480
   1.366323940
   .5149973050
   .8600000000E-01
     -.00474395 /
     -.02491310 /
     -.06540574 /
      .23035565 /
      .08794029 /
     -.19607717 /
     -.45798216 /
      .75356471  1.0 /
      .39706876  0.0  1.0 /
     0.0         0.0  0.0  1.0
    9    4
   627.5177710
   180.6606290
   65.26877720
   12.55029950
   6.765673860
   1.448560220
   .5454785530
   .1763934520
   .5700000000E-01
      .00623499 /
      .03579678 /
      .07852372 /
     -.13986199 /
     -.15164742 /
      .40177911 /
      .52379063 1.0 /
      .27265888 0.0  1.0 /
      .02102862 0.0  0.0  1.0
    1    1
   .465940913
  1.000000000
*
* Core AIMP: PT-NP-(d9s1)3D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   4481990.000
   196054.0000
   58500.90000
   19605.90000
   7108.010000
   2660.320000
   1006.410000
   440.4880000
   162.1730000
   74.74730000
   25.89250000
   12.49850000
   5.932530000
   2.341470000

   .030029300833
   .027915639167
   .045533389833
   .070781942222
   .098990431111
   .125523033333
   .210197228333
   .306534592778
   .226254827222
   .716420466667
   .135320408333
   .898374944444
   .400179903889
   .041277225722
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5780.45290      1027.25930      246.250250      55.5306320
   39153030.00
   5863120.100
   1334304.400
   377931.0600
   123287.6700
   44501.41400
   17351.81500
   7193.096000
   3133.772400
   1421.430600
   662.3269800
   296.7036100
   151.6327800
   76.62601200
   34.49011000
   18.11404000
   7.806192000
   3.956099000
   1.608257500
   .7120100000
   .1289162000
   .4863460000E-01
   .001297772610   .000501018299  -.000239539600  -.000119256360
   .003070791520   .001188820500  -.000568720910  -.000283158910
   .007005732730   .002723521900  -.001303425400  -.000649124960
   .014280291100   .005599383590  -.002685148700  -.001337455300
   .028251639100   .011214658000  -.005382229100  -.002683182900
   .053722445300   .021845688000  -.010551270000  -.005261212400
   .099735831500   .041925821000  -.020276750000  -.010138932000
   .175086421000   .078786955900  -.038836116000  -.019425422000
   .272269421000   .134906550000  -.066842334000  -.033727845000
   .318161342000   .190007740000  -.099767106100  -.050373777000
   .208088911000   .105551070000  -.048897019000  -.025225074000
   .041196653200  -.270891840000   .200168560000   .114608750000
  -.003005010410  -.555650939000   .586376030000   .345995710000
   .001636309210  -.314739670000   .243779770000   .165162460000
  -.000903636924  -.021730852000  -.829981650000  -.932623610000
   .000517790883  -.000811112399  -.493593650000  -.548289350000
  -.000258781851   .001293294000  -.061187254000   .951955010000
   .000146552001  -.000727459829   .014080352000   .562621970000
  -.000056723260   .000303915320  -.005147413000   .026931551000
   .000019756014  -.000115470710   .001873879200  -.000882884770
  -.000004267049   .000024716330  -.000393595790   .000249718400
   .000001833088  -.000010697603   .000169881660  -.000117672400
   18    3
  894.746130      206.741010      42.2687140
   99621.50800
   23589.61800
   7660.199000
   2929.353800
   1242.965300
   567.1625200
   272.3753700
   135.6288400
   68.39620000
   35.45437900
   18.47166100
   9.128884000
   4.522855000
   1.947939000
   .8922360000
   .3618590000
   .9208300000E-01
   .3473900000E-01
   .001637946410  -.000845264380   .000418345988
   .004868072840  -.002530907700   .001254323190
   .014836639100  -.007790956200   .003873562580
   .042819368300  -.022876154000   .011404771900
   .111489401000  -.061375215000   .030882856900
   .238992422000  -.137675490000   .069864012700
   .363407983000  -.219872830000   .113635419000
   .311429043000  -.141041370000   .062883937700
   .105556371000   .256813860000  -.199598829000
   .006046504450   .565713320000  -.475367298000
   .001032375610   .293416650000  -.055999327700
  -.000603399355   .034839942000   .642996947000
   .000222627152   .000126013040   .487761988000
  -.000107531551   .000269703330   .058052130700
   .000055156481  -.000154155180  -.003321024480
  -.000017491784   .000030056555   .001225897690
   .000005511973  -.000011858279  -.000302759689
  -.000002195730   .000004601430   .000118546559
   14    2
  161.740470      25.4186000
   3675.651400
   1111.543600
   433.5095100
   191.3128600
   90.78704300
   44.83156800
   22.59315800
   11.18903500
   5.425174000
   2.519960000
   1.106115000
   .4411150000
   .1554860000
   .5480633400E-01
   .001627786820  -.000837312473
   .010514794100  -.005458231220
   .047778510500  -.025036163100
   .152045841000  -.081516851300
   .321804133000  -.172163491000
   .404628414000  -.193197201000
   .233945522000   .067695451300
   .045488485400   .454259742000
   .001676895320   .464990912000
   .000398667204   .143524111000
  -.000089062233   .007050735030
   .000022984778   .001494412310
  -.000017564809  -.000139817781
   .000003779030   .000132403361
    9    1
  6.69829810
   395.4151500
   137.3436000
   58.41405800
   26.99215800
   12.92419700
   6.142292000
   2.813435000
   1.144943000
   .4659409100
   .002531455610
   .019552689100
   .080363939400
   .209511391000
   .343559442000
   .369531802000
   .245884811000
   .074024054400
   .003831397720
*
Spectral Representation Operator
External primitive basis
    3
   21
   994692.8790
   77955.26950
   10772.63920
   1988.886760
   166.3744380
   79.70106650
   31.38866000
   24.99927280
   6.009604200
   1.346101550
   .7578332530
   .1229413050
   .4530230360E-01
39153030.000000000
5863120.100000000
1334304.400000000
123287.670000000
17351.815000000
3133.772400000
662.326980000
296.703610000
   16
   4731.025940
   1015.733350
   301.4659010
   44.19478090
   20.04553780
   12.24703760
   6.650422480
   1.366323940
   .5149973050
   .8600000000E-01
99621.5077
23589.6182
2929.35380
567.162521
135.628840
68.396200
   12
   627.5177710
   180.6606290
   65.26877720
   12.55029950
   6.765673860
   1.448560220
   .5454785530
   .1763934520
   .5700000000E-01
3675.65139
1111.54363
22.593158
    7
   75.05053300
   24.41317700
   9.299443300
   3.616300000
   1.290000000
   .465940913
395.415150
Exchange
NoPair
End of Spectral Representation Operator

/Au.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.19e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*AU-NP-(d10s1)2S-(A3/91/9/51)
 19.000000         3

   13    5
   1027116.120
   80200.72340
   11026.76770
   2054.708880
   170.3326790
   71.80516740
   30.12612100
   9.941315850
   5.888506900
   1.526388830
   .8016316220
   .1309138110
   .4737914010E-01
 -.000695398882  .000189225062 /
 -.003231678448  .000879357387 /
 -.012824857878  .003490764955 /
 -.035078085446  .009548404834 /
  .209047300418 -.057335881436 /
  .023722134033 -.006335101800 /
 -.643891596047  .181272274160 /
  .109812001998 -.034090543424 /
 1.119672780454 -.354728847035 /
 -.685029075295  .337855611692 /
 -.668362480793  .343582262155  1.0 /
 -.041050519244 -.633534550318  0.0  1.0 /
  .013254565860 -.534603213272  0.0  0.0  1.0
   10    4
   4876.539170
   1047.683220
   311.1184860
   45.58713610
   21.04547300
   12.04786750
   6.894787470
   1.435852130
   .5400315330
   .8900000000E-01
 -.004888939052 /
 -.025435504776 /
 -.066522830339 /
  .236308719082 /
  .075145871522 /
 -.201139113198 /
 -.450811221676 /
  .765463461952  1.0 /
  .387256871455  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   636.3416130
   184.4833720
   67.03214420
   13.33416630
   7.290205000
   1.527022910
   .5791131870
   .1896416460
   .6210000000E-01
  .006626174348 /
  .037369545064 /
  .080819227153 /
 -.134897478247 /
 -.164081846729 /
  .417438574365 /
  .519058636387  1.0 /
  .258289023584  0.0  1.0 /
  .018463973435  0.0  0.0  1.0
    6    2
   81.80855900
   26.72294100
   10.24161000
   4.009077000
   1.439978100
   .5090733100
   .079238069000   .000000000000
   .299738470000   .000000000000
   .474982040000   .000000000000
   .370336640000   .000000000000
   .112153790000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: AU-NP-(d10s1)2S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   558674.0000
   121421.0000
   37512.30000
   12886.40000
   4737.050000
   1763.270000
   718.4140000
   339.9300000
   119.4460000
   68.80130000
   15.73290000
   8.743590000
   4.292110000
   1.851190000

   .037483402842
   .033224919105
   .053400492105
   .079868600526
   .104942818947
   .140831103158
   .248918695789
   .228325555263
   .327352476842
   .541345368421
   .642831894737
   .566073242105
   .143019373158
   .010276798526
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5951.91840      1062.14730      255.740160      58.1804350
   40301880.00
   6035075.000
   1373422.800
   389008.1300
   126902.4100
   45807.73200
   17861.88200
   7404.744500
   3226.035400
   1463.306200
   681.9189000
   305.9261400
   156.3417600
   79.01627000
   35.58454400
   18.70638400
   8.072722000
   4.117738000
   1.697103700
   .7474737500
   .1283310000
   .4820340000E-01
   .001349862310   .000523600065   .000250760369  -.000125253679
   .003178866530   .001236513810   .000592538927  -.000295990558
   .007224291760   .002821916520   .001352818590  -.000675943906
   .014660705100   .005776233950   .002774696090  -.001386629190
   .028875502300   .011518595100   .005537737070  -.002769808590
   .054622265500   .022321760200   .010800151000  -.005403299870
   .100838511000   .042604297400   .020642023900  -.010355633900
   .175966482000   .079568002700   .039293694800  -.019721029900
   .272167652000   .135406181000   .067201432700  -.034020480800
   .316858663000   .189393102000   .099605531500  -.050460804700
   .207047262000   .103172741000   .047324031800  -.024446142900
   .041133255400  -.272737002000  -.202306729000   .116279099000
  -.002916433230  -.554549105000  -.587189577000   .348068748000
   .001599981710  -.313259933000  -.238953559000   .161917279000
  -.000884656008  -.021320435200   .833143136000  -.943035055000
   .000508011584  -.000924715548   .488937428000  -.539930247000
  -.000255977672   .001368741210   .061540496700   .958808875000
   .000146286741  -.000780374987  -.014709795900   .555702397000
  -.000056046307   .000321109613   .005314877080   .027469350900
   .000018792702  -.000117485811  -.001869090190  -.000932767035
  -.000003899034   .000024184219   .000377273208   .000279147519
   .000001703947  -.000010578137  -.000164896479  -.000118804089
   18    3
  923.126070      214.466540      44.3291440
   103332.8900
   24467.86700
   7945.370500
   3038.499100
   1289.368300
   588.4232300
   282.6628200
   140.8257100
   71.12935900
   36.90031400
   19.24830400
   9.523296000
   4.739326000
   2.058626000
   .9452740000
   .3844240000
   .9166500000E-01
   .3443100000E-01
   .001675293790  -.000866680451   .000430783408
   .004937939470  -.002573834500   .001281104900
   .014933461900  -.007861923010   .003925765590
   .042807749700  -.022929534000   .011481045000
   .110958649000  -.061223336100   .030939868900
   .237551789000  -.137123580000   .069880330700
   .362106778000  -.219380440000   .113858300000
   .312634518000  -.143208610000   .064416405800
   .107598149000   .251444140000  -.196935489000
   .006517663160   .565087671000  -.477150748000
   .001000677990   .298067920000  -.063835012800
  -.000590841286   .036239829000   .641402758000
   .000218250229   .000019633443   .491738178000
  -.000104807669   .000299826680   .059279896800
   .000053641996  -.000174618250  -.003147950990
  -.000016247263   .000032685440   .001186637000
   .000004869039  -.000012315809  -.000270635589
  -.000001989565   .000004915403   .000109125800
   14    2
  168.052560      26.9049340
   3796.915700
   1148.290800
   447.8968000
   197.7189800
   93.87082700
   46.38902100
   23.39919700
   11.60572700
   5.645533000
   2.627459000
   1.167632000
   .4710150000
   .1681060000
   .5999729700E-01
   .001640139900  -.000850070171
   .010523477000  -.005504019610
   .047686041100  -.025179068000
   .151676220000  -.081936277100
   .321319121000  -.173245690000
   .404540811000  -.194580740000
   .234433481000   .067927620100
   .045789022100   .456248821000
   .001656528610   .465050391000
   .000398337531   .140519810000
  -.000087133758   .005963758810
   .000034932728   .001206765100
  -.000013654639  -.000389417411
   .000004436628   .000131203150
    9    1
  7.58319580
   417.5107900
   145.1495200
   61.83891700
   28.63831600
   13.75991600
   6.572616000
   3.031366000
   1.242251000
   .5090733100
   .002455316400
   .019024711000
   .078814314000
   .207286330000
   .343275020000
   .371277780000
   .245095390000
   .071754370000
   .003503377100
*
Spectral Representation Operator
External primitive basis
    3
   21
   1027116.120
   80200.72340
   11026.76770
   2054.708880
   170.3326790
   71.80516740
   30.12612100
   9.941315850
   5.888506900
   1.526388830
   .8016316220
   .1309138110
   .4737914010E-01
40301880.000000000
6035075.000000000
1373422.800000000
126902.410000000
17861.882000000
3226.035400000
681.918900000
305.926140000
   16
   4876.539170
   1047.683220
   311.1184860
   45.58713610
   21.04547300
   12.04786750
   6.894787470
   1.435852130
   .5400315330
   .8900000000E-01
103332.890000000
24467.867000000
3038.499100000
588.423230000
140.825710000
71.129359000
   12
   636.3416130
   184.4833720
   67.03214420
   13.33416630
   7.290205000
   1.527022910
   .5791131870
   .1896416460
   .6210000000E-01
3796.915700000
1148.290800000
23.399197000
    7
   81.80855900
   26.72294100
   10.24161000
   4.009077000
   1.439978100
   .5090733100
417.510790000
Exchange
NoPair
End of Spectral Representation Operator

/Au.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.19e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*AU-NP-(d10s1)2S-(A3/91/9/51)
 19.000000         3

   13    5
   1027116.120
   80200.72340
   11026.76770
   2054.708880
   170.3326790
   71.80516740
   30.12612100
   9.941315850
   5.888506900
   1.526388830
   .8016316220
   .1309138110
   .4737914010E-01
 -.000695398882  .000189225062 /
 -.003231678448  .000879357387 /
 -.012824857878  .003490764955 /
 -.035078085446  .009548404834 /
  .209047300418 -.057335881436 /
  .023722134033 -.006335101800 /
 -.643891596047  .181272274160 /
  .109812001998 -.034090543424 /
 1.119672780454 -.354728847035 /
 -.685029075295  .337855611692 /
 -.668362480793  .343582262155  1.0 /
 -.041050519244 -.633534550318  0.0  1.0 /
  .013254565860 -.534603213272  0.0  0.0  1.0
   10    4
   4876.539170
   1047.683220
   311.1184860
   45.58713610
   21.04547300
   12.04786750
   6.894787470
   1.435852130
   .5400315330
   .8900000000E-01
 -.004888939052 /
 -.025435504776 /
 -.066522830339 /
  .236308719082 /
  .075145871522 /
 -.201139113198 /
 -.450811221676 /
  .765463461952  1.0 /
  .387256871455  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   636.3416130
   184.4833720
   67.03214420
   13.33416630
   7.290205000
   1.527022910
   .5791131870
   .1896416460
   .6210000000E-01
  .006626174348 /
  .037369545064 /
  .080819227153 /
 -.134897478247 /
 -.164081846729 /
  .417438574365 /
  .519058636387  1.0 /
  .258289023584  0.0  1.0 /
  .018463973435  0.0  0.0  1.0
    1    1
   .5090733100
  1.000000000000
*
* Core AIMP: AU-NP-(d10s1)2S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   558674.0000
   121421.0000
   37512.30000
   12886.40000
   4737.050000
   1763.270000
   718.4140000
   339.9300000
   119.4460000
   68.80130000
   15.73290000
   8.743590000
   4.292110000
   1.851190000

   .037483402842
   .033224919105
   .053400492105
   .079868600526
   .104942818947
   .140831103158
   .248918695789
   .228325555263
   .327352476842
   .541345368421
   .642831894737
   .566073242105
   .143019373158
   .010276798526
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  5951.91840      1062.14730      255.740160      58.1804350
   40301880.00
   6035075.000
   1373422.800
   389008.1300
   126902.4100
   45807.73200
   17861.88200
   7404.744500
   3226.035400
   1463.306200
   681.9189000
   305.9261400
   156.3417600
   79.01627000
   35.58454400
   18.70638400
   8.072722000
   4.117738000
   1.697103700
   .7474737500
   .1283310000
   .4820340000E-01
   .001349862310   .000523600065   .000250760369  -.000125253679
   .003178866530   .001236513810   .000592538927  -.000295990558
   .007224291760   .002821916520   .001352818590  -.000675943906
   .014660705100   .005776233950   .002774696090  -.001386629190
   .028875502300   .011518595100   .005537737070  -.002769808590
   .054622265500   .022321760200   .010800151000  -.005403299870
   .100838511000   .042604297400   .020642023900  -.010355633900
   .175966482000   .079568002700   .039293694800  -.019721029900
   .272167652000   .135406181000   .067201432700  -.034020480800
   .316858663000   .189393102000   .099605531500  -.050460804700
   .207047262000   .103172741000   .047324031800  -.024446142900
   .041133255400  -.272737002000  -.202306729000   .116279099000
  -.002916433230  -.554549105000  -.587189577000   .348068748000
   .001599981710  -.313259933000  -.238953559000   .161917279000
  -.000884656008  -.021320435200   .833143136000  -.943035055000
   .000508011584  -.000924715548   .488937428000  -.539930247000
  -.000255977672   .001368741210   .061540496700   .958808875000
   .000146286741  -.000780374987  -.014709795900   .555702397000
  -.000056046307   .000321109613   .005314877080   .027469350900
   .000018792702  -.000117485811  -.001869090190  -.000932767035
  -.000003899034   .000024184219   .000377273208   .000279147519
   .000001703947  -.000010578137  -.000164896479  -.000118804089
   18    3
  923.126070      214.466540      44.3291440
   103332.8900
   24467.86700
   7945.370500
   3038.499100
   1289.368300
   588.4232300
   282.6628200
   140.8257100
   71.12935900
   36.90031400
   19.24830400
   9.523296000
   4.739326000
   2.058626000
   .9452740000
   .3844240000
   .9166500000E-01
   .3443100000E-01
   .001675293790  -.000866680451   .000430783408
   .004937939470  -.002573834500   .001281104900
   .014933461900  -.007861923010   .003925765590
   .042807749700  -.022929534000   .011481045000
   .110958649000  -.061223336100   .030939868900
   .237551789000  -.137123580000   .069880330700
   .362106778000  -.219380440000   .113858300000
   .312634518000  -.143208610000   .064416405800
   .107598149000   .251444140000  -.196935489000
   .006517663160   .565087671000  -.477150748000
   .001000677990   .298067920000  -.063835012800
  -.000590841286   .036239829000   .641402758000
   .000218250229   .000019633443   .491738178000
  -.000104807669   .000299826680   .059279896800
   .000053641996  -.000174618250  -.003147950990
  -.000016247263   .000032685440   .001186637000
   .000004869039  -.000012315809  -.000270635589
  -.000001989565   .000004915403   .000109125800
   14    2
  168.052560      26.9049340
   3796.915700
   1148.290800
   447.8968000
   197.7189800
   93.87082700
   46.38902100
   23.39919700
   11.60572700
   5.645533000
   2.627459000
   1.167632000
   .4710150000
   .1681060000
   .5999729700E-01
   .001640139900  -.000850070171
   .010523477000  -.005504019610
   .047686041100  -.025179068000
   .151676220000  -.081936277100
   .321319121000  -.173245690000
   .404540811000  -.194580740000
   .234433481000   .067927620100
   .045789022100   .456248821000
   .001656528610   .465050391000
   .000398337531   .140519810000
  -.000087133758   .005963758810
   .000034932728   .001206765100
  -.000013654639  -.000389417411
   .000004436628   .000131203150
    9    1
  7.58319580
   417.5107900
   145.1495200
   61.83891700
   28.63831600
   13.75991600
   6.572616000
   3.031366000
   1.242251000
   .5090733100
   .002455316400
   .019024711000
   .078814314000
   .207286330000
   .343275020000
   .371277780000
   .245095390000
   .071754370000
   .003503377100
*
Spectral Representation Operator
External primitive basis
    3
   21
   1027116.120
   80200.72340
   11026.76770
   2054.708880
   170.3326790
   71.80516740
   30.12612100
   9.941315850
   5.888506900
   1.526388830
   .8016316220
   .1309138110
   .4737914010E-01
40301880.000000000
6035075.000000000
1373422.800000000
126902.410000000
17861.882000000
3226.035400000
681.918900000
305.926140000
   16
   4876.539170
   1047.683220
   311.1184860
   45.58713610
   21.04547300
   12.04786750
   6.894787470
   1.435852130
   .5400315330
   .8900000000E-01
103332.890000000
24467.867000000
3038.499100000
588.423230000
140.825710000
71.129359000
   12
   636.3416130
   184.4833720
   67.03214420
   13.33416630
   7.290205000
   1.527022910
   .5791131870
   .1896416460
   .6210000000E-01
3796.915700000
1148.290800000
23.399197000
    7
   81.80855900
   26.72294100
   10.24161000
   4.009077000
   1.439978100
   .5090733100
417.510790000
Exchange
NoPair
End of Spectral Representation Operator

/Hg.ECP.Rakowitz.13s10p9d6f.5s4p4d2f.20e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*HG-NP-(d10s2)1S-(A3/91/9/51)
 20.000000         3

   13    5
   1158115.920
   90804.28090
   12373.25630
   2178.558790
   173.0533150
   51.78996890
   32.01232400
   9.265705200
   6.327153820
   1.618800780
   .9281046360
   .1482951660
   .5335392300E-01
 -.000684198041  .000197686200 /
 -.003110815791  .000898785385 /
 -.012597880051  .003641002554 /
 -.035826004541  .010354835735 /
  .218668468539 -.063713832664 /
  .046255251875 -.012990357270 /
 -.672933056218  .200668529803 /
  .057022914848 -.017858559656 /
 1.165566102235 -.396596548691 /
 -.577927166271  .329333766316 /
 -.758377026394  .394158834575  1.0 /
 -.052682303900 -.680797123079  0.0  1.0 /
  .017920687527 -.497777629213  0.0  0.0  1.0
   10    4
   5093.745040
   1087.974770
   321.6751130
   47.48733010
   24.85191260
   12.57129190
   7.292597290
   1.524242020
   .5836099990
   .9300000000E-01
 -.004996601769 /
 -.025983971426 /
 -.068189533154 /
  .234460881960 /
  .068547227126 /
 -.168795649060 /
 -.482044743108 /
  .769995826140  1.0 /
  .384268267688  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   669.2133970
   192.4043360
   69.59852270
   13.78897080
   7.570314980
   1.645476280
   .6447233730
   .2217010580
   .7620000000E-01
  .006876437791 /
  .039487722285 /
  .086345887068 /
 -.145380618431 /
 -.172524619581 /
  .429106166832 /
  .518431701294  1.0 /
  .234532532184  0.0  1.0 /
  .012951445558  0.0  0.0  1.0
    6    2
   81.80855900
   26.72294100
   10.24161000
   4.009077000
   1.439978100
   .5683419430
   .079238069000   .000000000000
   .299738470000   .000000000000
   .474982040000   .000000000000
   .370336640000   .000000000000
   .112153790000   .000000000000
   .000000000000  1.000000000000
*
* Core AIMP: HG-NP-(d10s2)1S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   566279.0000
   123046.0000
   37884.10000
   12971.90000
   4760.630000
   1780.970000
   732.0560000
   347.2380000
   122.3720000
   70.93560000
   16.20300000
   8.993460000
   4.460280000
   1.968150000

   .036066692650
   .032054545350
   .051564918500
   .076949993500
   .100222982500
   .134561615500
   .237608379500
   .214332469000
   .316088666000
   .508658910000
   .628854230000
   .529499705000
   .125356764500
   .008180126050
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  6127.01540      1098.15650      265.766230      61.1926820
   41661580.00
   6238626.000
   1419739.900
   402126.7500
   131182.2700
   47352.80800
   18464.39500
   7654.499700
   3334.815900
   1512.636300
   705.0366600
   317.3630500
   162.0509100
   81.83509100
   36.85495100
   19.41090800
   8.412099000
   4.322458000
   1.829117500
   .8275325000
   .1613402000
   .5911220000E-01
   .001400189000  -.000545725910   .000261793339  -.000131200780
   .003281413490  -.001282522000   .000615614077  -.000308544300
   .007427900880  -.002915423200   .001400000690  -.000701849110
   .015005715900  -.005940608400   .002858444290  -.001433272100
   .029421698900  -.011794034000   .005679930670  -.002850367200
   .055362380800  -.022733256000   .011017849900  -.005530959000
   .101634400000  -.043152977000   .020945060900  -.010542146000
   .176340559000  -.080081373000   .039613962800  -.019951395000
   .271510219000  -.135563090000   .067387538700  -.034221709000
   .315608349000  -.188500280000   .099248131500  -.050461740000
   .206972159000  -.102295760000   .046682061800  -.024115376000
   .041680241900   .270495020000  -.201124799000   .115917830000
  -.002750029990   .554223510000  -.586850557000   .349528760000
   .001550286690   .314850210000  -.240768339000   .162616940000
  -.000865072567   .021596788000   .831924986000  -.945167599000
   .000502738828   .000936656651   .489097778000  -.544241910000
  -.000260038879  -.001428481500   .063722986700   .955365329000
   .000153553109   .000847630491  -.016066254900   .560614950000
  -.000061641377  -.000365797950   .006085321570   .029654693000
   .000021259124   .000137373600  -.002194931890  -.000942715149
  -.000004441895  -.000028660794   .000448535358   .000304019120
   .000001787628   .000011683444  -.000182406279  -.000110579300
   18    3
  952.309940      222.645500      46.7222130
   107631.3300
   25485.51400
   8275.929800
   3165.068800
   1343.202400
   613.1042600
   294.6175500
   146.8817900
   74.34667200
   38.59390400
   20.16062300
   9.988406000
   4.993597000
   2.194900000
   1.017543000
   .4195370000
   .1152430000
   .4222300000E-01
   .001706325380  -.000884877063  -.000441671742
   .004984910450  -.002604855710  -.001302018010
   .014952616800  -.007891395520  -.003957141120
   .042561048600  -.022853907100  -.011491533100
   .109847459000  -.060733141200  -.030820864200
   .235118168000  -.135952090000  -.069565950300
   .360171256000  -.218446081000  -.113836661000
   .314765387000  -.146934270000  -.066948214300
   .110976909000   .242160981000   .191310811000
   .007303065130   .564089132000   .478370062000
   .000954664840   .305979221000   .078059229400
  -.000571378774   .038666662100  -.636128583000
   .000212398828  -.000128874420  -.500147502000
  -.000104247139   .000366366361  -.062683716300
   .000054893636  -.000213697941   .003221508920
  -.000017541399   .000047918354  -.001238687410
   .000005581474  -.000016915708   .000326966592
  -.000002079664   .000006296986  -.000115806811
   14    2
  174.775590      28.7064860
   4110.480300
   1243.375500
   485.2768400
   214.5146100
   102.0918800
   50.61056400
   25.68083700
   12.83943300
   6.310909000
   3.009395000
   1.360742000
   .5652400000
   .2094170000
   .7758736000E-01
   .001519326990  -.000792656652
   .009650014970  -.005082076010
   .043826992900  -.023278102000
   .141106240000  -.076696504200
   .306743379000  -.166759580000
   .403828599000  -.200618660000
   .253464149000   .033819922100
   .056499605800   .428834971000
   .002275262290   .482753841000
   .000557747378   .167171420000
  -.000143926030   .010946229000
   .000060390228   .000912933562
  -.000024005672  -.000266024021
   .000007805948   .000091243917
    9    1
  8.77943680
   442.8343600
   154.1090700
   65.78022400
   30.53980600
   14.73248300
   7.077728000
   3.291546000
   1.367744000
   .5683419400
   .002351397590
   .018290454900
   .076495044800
   .203432699000
   .341427409000
   .373064499000
   .246682779000
   .071152384800
   .003205136390
*
Spectral Representation Operator
External primitive basis
    3
   21
   1158115.920
   90804.28090
   12373.25630
   2178.558790
   173.0533150
   51.78996890
   32.01232400
   9.265705200
   6.327153820
   1.618800780
   .9281046360
   .1482951660
   .5335392300E-01
41661580.000000000
6238626.000000000
1419739.900000000
131182.270000000
18464.395000000
3334.815900000
705.036660000
317.363050000
   16
   5093.745040
   1087.974770
   321.6751130
   47.48733010
   24.85191260
   12.57129190
   7.292597290
   1.524242020
   .5836099990
   .9300000000E-01
107631.330000000
25485.514000000
3165.068800000
613.104260000
146.881790000
74.346672000
   12
   669.2133970
   192.4043360
   69.59852270
   13.78897080
   7.570314980
   1.645476280
   .6447233730
   .2217010580
   .7620000000E-01
4110.480300000
1243.375500000
25.680837000
    7
   81.80855900
   26.72294100
   10.24161000
   4.009077000
   1.439978100
   .5683419430
442.834360000
Exchange
NoPair
End of Spectral Representation Operator

/Hg.ECP.Rakowitz.13s10p9d1f.5s4p4d1f.20e-NP-AIMP.
F Rakowitz, C M Marian, and L Seijo, J. Chem. Phys., 111(1999)10436
[Kr,4d,4f] (A3/91/9/51)
*HG-NP-(d10s2)1S-(A3/91/9/51)
 20.000000         3

   13    5
   1158115.920
   90804.28090
   12373.25630
   2178.558790
   173.0533150
   51.78996890
   32.01232400
   9.265705200
   6.327153820
   1.618800780
   .9281046360
   .1482951660
   .5335392300E-01
 -.000684198041  .000197686200 /
 -.003110815791  .000898785385 /
 -.012597880051  .003641002554 /
 -.035826004541  .010354835735 /
  .218668468539 -.063713832664 /
  .046255251875 -.012990357270 /
 -.672933056218  .200668529803 /
  .057022914848 -.017858559656 /
 1.165566102235 -.396596548691 /
 -.577927166271  .329333766316 /
 -.758377026394  .394158834575  1.0 /
 -.052682303900 -.680797123079  0.0  1.0 /
  .017920687527 -.497777629213  0.0  0.0  1.0
   10    4
   5093.745040
   1087.974770
   321.6751130
   47.48733010
   24.85191260
   12.57129190
   7.292597290
   1.524242020
   .5836099990
   .9300000000E-01
 -.004996601769 /
 -.025983971426 /
 -.068189533154 /
  .234460881960 /
  .068547227126 /
 -.168795649060 /
 -.482044743108 /
  .769995826140  1.0 /
  .384268267688  0.0  1.0 /
  .000000000000  0.0  0.0  1.0
    9    4
   669.2133970
   192.4043360
   69.59852270
   13.78897080
   7.570314980
   1.645476280
   .6447233730
   .2217010580
   .7620000000E-01
  .006876437791 /
  .039487722285 /
  .086345887068 /
 -.145380618431 /
 -.172524619581 /
  .429106166832 /
  .518431701294  1.0 /
  .234532532184  0.0  1.0 /
  .012951445558  0.0  0.0  1.0
    1    1
   .5683419430
  1.000000000000
*
* Core AIMP: HG-NP-(d10s2)1S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   566279.0000
   123046.0000
   37884.10000
   12971.90000
   4760.630000
   1780.970000
   732.0560000
   347.2380000
   122.3720000
   70.93560000
   16.20300000
   8.993460000
   4.460280000
   1.968150000

   .036066692650
   .032054545350
   .051564918500
   .076949993500
   .100222982500
   .134561615500
   .237608379500
   .214332469000
   .316088666000
   .508658910000
   .628854230000
   .529499705000
   .125356764500
   .008180126050
M2
    0
COREREP
   1.0
PROJOP
    3
   22    4
  6127.01540      1098.15650      265.766230      61.1926820
   41661580.00
   6238626.000
   1419739.900
   402126.7500
   131182.2700
   47352.80800
   18464.39500
   7654.499700
   3334.815900
   1512.636300
   705.0366600
   317.3630500
   162.0509100
   81.83509100
   36.85495100
   19.41090800
   8.412099000
   4.322458000
   1.829117500
   .8275325000
   .1613402000
   .5911220000E-01
   .001400189000  -.000545725910   .000261793339  -.000131200780
   .003281413490  -.001282522000   .000615614077  -.000308544300
   .007427900880  -.002915423200   .001400000690  -.000701849110
   .015005715900  -.005940608400   .002858444290  -.001433272100
   .029421698900  -.011794034000   .005679930670  -.002850367200
   .055362380800  -.022733256000   .011017849900  -.005530959000
   .101634400000  -.043152977000   .020945060900  -.010542146000
   .176340559000  -.080081373000   .039613962800  -.019951395000
   .271510219000  -.135563090000   .067387538700  -.034221709000
   .315608349000  -.188500280000   .099248131500  -.050461740000
   .206972159000  -.102295760000   .046682061800  -.024115376000
   .041680241900   .270495020000  -.201124799000   .115917830000
  -.002750029990   .554223510000  -.586850557000   .349528760000
   .001550286690   .314850210000  -.240768339000   .162616940000
  -.000865072567   .021596788000   .831924986000  -.945167599000
   .000502738828   .000936656651   .489097778000  -.544241910000
  -.000260038879  -.001428481500   .063722986700   .955365329000
   .000153553109   .000847630491  -.016066254900   .560614950000
  -.000061641377  -.000365797950   .006085321570   .029654693000
   .000021259124   .000137373600  -.002194931890  -.000942715149
  -.000004441895  -.000028660794   .000448535358   .000304019120
   .000001787628   .000011683444  -.000182406279  -.000110579300
   18    3
  952.309940      222.645500      46.7222130
   107631.3300
   25485.51400
   8275.929800
   3165.068800
   1343.202400
   613.1042600
   294.6175500
   146.8817900
   74.34667200
   38.59390400
   20.16062300
   9.988406000
   4.993597000
   2.194900000
   1.017543000
   .4195370000
   .1152430000
   .4222300000E-01
   .001706325380  -.000884877063  -.000441671742
   .004984910450  -.002604855710  -.001302018010
   .014952616800  -.007891395520  -.003957141120
   .042561048600  -.022853907100  -.011491533100
   .109847459000  -.060733141200  -.030820864200
   .235118168000  -.135952090000  -.069565950300
   .360171256000  -.218446081000  -.113836661000
   .314765387000  -.146934270000  -.066948214300
   .110976909000   .242160981000   .191310811000
   .007303065130   .564089132000   .478370062000
   .000954664840   .305979221000   .078059229400
  -.000571378774   .038666662100  -.636128583000
   .000212398828  -.000128874420  -.500147502000
  -.000104247139   .000366366361  -.062683716300
   .000054893636  -.000213697941   .003221508920
  -.000017541399   .000047918354  -.001238687410
   .000005581474  -.000016915708   .000326966592
  -.000002079664   .000006296986  -.000115806811
   14    2
  174.775590      28.7064860
   4110.480300
   1243.375500
   485.2768400
   214.5146100
   102.0918800
   50.61056400
   25.68083700
   12.83943300
   6.310909000
   3.009395000
   1.360742000
   .5652400000
   .2094170000
   .7758736000E-01
   .001519326990  -.000792656652
   .009650014970  -.005082076010
   .043826992900  -.023278102000
   .141106240000  -.076696504200
   .306743379000  -.166759580000
   .403828599000  -.200618660000
   .253464149000   .033819922100
   .056499605800   .428834971000
   .002275262290   .482753841000
   .000557747378   .167171420000
  -.000143926030   .010946229000
   .000060390228   .000912933562
  -.000024005672  -.000266024021
   .000007805948   .000091243917
    9    1
  8.77943680
   442.8343600
   154.1090700
   65.78022400
   30.53980600
   14.73248300
   7.077728000
   3.291546000
   1.367744000
   .5683419400
   .002351397590
   .018290454900
   .076495044800
   .203432699000
   .341427409000
   .373064499000
   .246682779000
   .071152384800
   .003205136390
*
Spectral Representation Operator
External primitive basis
    3
   21
   1158115.920
   90804.28090
   12373.25630
   2178.558790
   173.0533150
   51.78996890
   32.01232400
   9.265705200
   6.327153820
   1.618800780
   .9281046360
   .1482951660
   .5335392300E-01
41661580.000000000
6238626.000000000
1419739.900000000
131182.270000000
18464.395000000
3334.815900000
705.036660000
317.363050000
   16
   5093.745040
   1087.974770
   321.6751130
   47.48733010
   24.85191260
   12.57129190
   7.292597290
   1.524242020
   .5836099990
   .9300000000E-01
107631.330000000
25485.514000000
3165.068800000
613.104260000
146.881790000
74.346672000
   12
   669.2133970
   192.4043360
   69.59852270
   13.78897080
   7.570314980
   1.645476280
   .6447233730
   .2217010580
   .7620000000E-01
4110.480300000
1243.375500000
25.680837000
    7
   81.80855900
   26.72294100
   10.24161000
   4.009077000
   1.439978100
   .5683419430
442.834360000
Exchange
NoPair
End of Spectral Representation Operator

*
********************************************************************************
*       C.3.3. f-Elements                                                      *
********************************************************************************
*
*       Third-Order-Douglas-Kroll-Hess Relativistic Core AIMPs                 *
*
********************************************************************************
*         C.3.3.1.a. Lanthanide Elements (core [Kr,4d])                        *
********************************************************************************
*
/Ce.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.12e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Ce(1G)
*
 12.000000            3

* S-type functions
   14    2
   808464.2341000000
    78407.6693900000
    12470.3470800000
     2673.1486900000
      719.3436172000
       94.6282494300
       54.3513427100
       12.8633400400
        2.6742753780
        1.6550617440
        0.5277863716
        0.2467249335
        0.0544227053
        0.0214992905
      0.000207093390  0.000058789376
      0.000937723400  0.000266202620
      0.003728081000  0.001058400500
      0.013068349000  0.003710531300
      0.029377893000  0.008344814500
     -0.104748560000 -0.029908187000
     -0.097816486000 -0.027896819000
      0.554449680000  0.161920920000
     -0.850655090000 -0.274072820000
     -0.290946080000 -0.096426419000
      0.890924460000  0.410154040000
      0.467723500000  0.358630000000
      0.009881126700 -0.762655310000
     -0.002122982900 -0.461406290000
* P-type functions
   10    1
     2310.6126340000
      487.4959437000
      145.4461730000
       21.2241008600
        9.9493525380
        5.0611464040
        2.5680116700
        0.6090024622
        0.2766990368
        0.1103271842
     -0.003425627300
     -0.021062876000
     -0.056277501000
      0.178157630000
      0.104797860000
     -0.230692520000
     -0.390285890000
      0.585342090000
      0.496848220000
      0.077433644000
* D-type functions
    9    1
      280.6592358000
       80.5642421500
       28.5046066700
        5.1915207390
        2.6020318210
        0.5633527246
        0.2308222678
        0.0897487633
        0.0351812965
      0.005643940100
      0.031482719000
      0.065253796000
     -0.124507240000
     -0.145829020000
      0.327902390000
      0.506318050000
      0.313401460000
      0.048071731000
* F-type functions
    8    1
      104.2250212000
       34.9683690100
       13.6870524200
        5.8026366470
        2.4826634380
        1.0358048330
        0.4089763496
        0.1494709070
      0.005564944000
      0.037297930000
      0.132618530000
      0.283872480000
      0.383580440000
      0.345173080000
      0.195406920000
      0.051080118000
*
* Core AIMP:Ce DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    484069.410
    94892.1018
    27278.0281
    8912.13614
    3167.79930
    1151.37544
    428.056930
    191.308739
    63.5528557
    32.0458225
    5.89012574
    3.24356089
    1.63003496

   .039739534187
   .038660346277
   .064642417085
   .103223986560
   .146248151381
   .181169739194
   .319819183662
   .404186517655
   .357451871102
   .916211915652
   .774937619991
   .442435171199
   .044606879389
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    2987.480200     486.424680     108.193104      23.377972
    .340027730E+11
    .368218550E+10
    633062420.
    135930590.
    33661849.0
    9454645.50
    2943490.80
    984448.480
    347440.490
    127846.120
    48945.1200
    19242.1270
    7793.96690
    3263.90510
    1405.76170
    624.327950
    286.054800
    117.422700
    53.7137560
    21.2682100
    10.8984940
    4.17198070
    2.11760820
    .618481140
    .298249480
    .562981940E-01
    .240441710E-01
   .000003286498  -.000001165451   .000000531422   .000000250817
   .000012181210  -.000004316798   .000001967980   .000000928830
   .000036135772  -.000012796634   .000005834049   .000002753379
   .000096653200  -.000034230158   .000015603190   .000007364164
   .000236155292  -.000083609104   .000038118599   .000017989746
   .000528259624  -.000187250507   .000085358754   .000040288410
   .001126654809  -.000399495795   .000182206140   .000085992116
   .002341118418  -.000833344869   .000380030589   .000179404799
   .004821814238  -.001719582777   .000785258198   .000370644558
   .009857310177  -.003552117951   .001621952996   .000766083795
   .020355006159  -.007385402599   .003384036892   .001597975690
   .042909770336  -.015998217781   .007335501282   .003469220778
   .089635167701  -.034354291531   .015894678961   .007518170553
   .178422141395  -.074186115986   .034540357915   .016400548897
   .303615682374  -.142066108059   .068060526832   .032414991797
   .342636642679  -.211627567109   .104762719742   .050529400683
   .176072651377  -.080628978898   .041803187897   .019983413875
   .018826835147   .460348173711  -.355670039124  -.187784818822
  -.002193089317   .601284411785  -.631775208444  -.368098357691
   .001021022208   .118646398379   .331021989185   .282234298230
  -.000680592965  -.019980291727   .892312927802  1.042976493458
   .000334159743   .007486110198   .143560419646  -.426979987322
  -.000174651281  -.003894992547  -.022747213944  -.968708363924
   .000063594666   .001335669382   .006316733284  -.079540369501
  -.000033004042  -.000677166651  -.003159230492   .019901596875
   .000008433853   .000173655088   .000766093688  -.003976972375
  -.000003936969  -.000081011413  -.000356601119   .001795871089
   23    3
     435.534300      91.590078      17.736839
    49656588.0
    7195682.30
    1503242.40
    381188.930
    113302.730
    38093.3030
    14078.2560
    5704.80890
    2477.83240
    1140.94150
    553.107960
    278.880260
    145.208200
    77.4997760
    41.7952820
    22.2981620
    12.0992860
    6.46333540
    3.33011760
    1.69137570
    .748917590
    .340663180
    .140354390
   .000003404983  -.000001635601  -.000000756931
   .000011202623  -.000005383364  -.000002491464
   .000033253171  -.000015989803  -.000007401661
   .000093698154  -.000045104895  -.000020881066
   .000254613348  -.000122754019  -.000056859654
   .000708644605  -.000342499168  -.000158668319
   .002003431386  -.000971586455  -.000450661156
   .005694663260  -.002777733786  -.001289121489
   .016274723886  -.008012619860  -.003728894269
   .043992012692  -.022039502891  -.010285517915
   .106640039254  -.055030553728  -.025873345786
   .214299378501  -.115580759430  -.054801802547
   .321999587747  -.183152589096  -.088214096270
   .307204397851  -.160707239207  -.074614145383
   .148383638962   .082466350593   .065714709456
   .024999180825   .443670237810   .314485017399
   .000628024756   .453580017761   .350252807103
   .000070647736   .145426449282  -.178728258522
  -.000157859139   .010569694948  -.640519924702
   .000004516034   .000842326056  -.369781866941
  -.000009923339  -.000157251099  -.039278153675
   .000004386171   .000042188724   .001280162589
  -.000001047847  -.000012130218  -.000302483007
   15    2
      67.804828       9.331103
    8587.17530
    2529.41370
    1339.38750
    545.964230
    230.859750
    105.354300
    50.9548130
    25.3602600
    12.8710110
    6.44608930
    3.14306310
    1.47120400
    .603893430
    .229057150
    .790965850E-01
   .000087005444  -.000039503768
   .000352964352  -.000163826741
   .001276644307  -.000578733984
   .008382433647  -.003877757725
   .037091358206  -.017172222109
   .118639780658  -.056256361357
   .263782021463  -.124977460793
   .384387642133  -.176072011117
   .307874631708  -.067409324428
   .098909858549   .276307361753
   .006856209438   .510237883237
   .000396964132   .320465922033
  -.000167950631   .050659345321
   .000060713895  -.001373801709
  -.000014154285   .000643806614
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Ce.DK3.Tsuchiya.27s23p15d10f.6s4p3d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 3.4002773D+10 3.6821855D+09 6.3306242D+08 1.3593059D+08 3.3661849D+07
 9.4546455D+06 2.9434908D+06 9.8444848D+05 3.4744049D+05 1.2784612D+05
 4.8945120D+04 1.9242127D+04 7.7939669D+03 3.2639051D+03 1.4057617D+03
 6.2432795D+02 2.8605480D+02 1.1742270D+02 5.3713756D+01 2.1268210D+01
 1.0898494D+01 4.1719807D+00 2.1176082D+00 6.1848114D-01 2.9824948D-01
 5.6298194D-02 2.4044171D-02
  0.0000033 -0.0000012  0.0000005  0.0000003  0.0000001  0.0000000
  0.0000122 -0.0000043  0.0000020  0.0000009  0.0000004 -0.0000001
  0.0000361 -0.0000128  0.0000058  0.0000028  0.0000011 -0.0000003
  0.0000967 -0.0000342  0.0000156  0.0000074  0.0000030 -0.0000008
  0.0002362 -0.0000836  0.0000381  0.0000180  0.0000073 -0.0000021
  0.0005283 -0.0001873  0.0000854  0.0000403  0.0000163 -0.0000046
  0.0011267 -0.0003995  0.0001822  0.0000860  0.0000348 -0.0000099
  0.0023411 -0.0008333  0.0003800  0.0001794  0.0000727 -0.0000206
  0.0048218 -0.0017196  0.0007853  0.0003706  0.0001501 -0.0000426
  0.0098573 -0.0035521  0.0016220  0.0007661  0.0003105 -0.0000881
  0.0203550 -0.0073854  0.0033840  0.0015980  0.0006469 -0.0001837
  0.0429098 -0.0159982  0.0073355  0.0034692  0.0014073 -0.0003991
  0.0896352 -0.0343543  0.0158947  0.0075182  0.0030431 -0.0008644
  0.1784221 -0.0741861  0.0345404  0.0164005  0.0066628 -0.0018889
  0.3036157 -0.1420661  0.0680605  0.0324150  0.0131290 -0.0037321
  0.3426366 -0.2116276  0.1047627  0.0505294  0.0206384 -0.0058474
  0.1760726 -0.0806290  0.0418032  0.0199834  0.0079616 -0.0022880
  0.0188268  0.4603482 -0.3556700 -0.1877848 -0.0775781  0.0221673
 -0.0021931  0.6012844 -0.6317752 -0.3680984 -0.1575313  0.0448771
  0.0010210  0.1186464  0.3310220  0.2822343  0.1339180 -0.0383103
 -0.0006806 -0.0199803  0.8923129  1.0429765  0.5153219 -0.1520662
  0.0003342  0.0074861  0.1435604 -0.4269800 -0.3008405  0.0957527
 -0.0001747 -0.0038950 -0.0227472 -0.9687084 -0.9275494  0.3000578
  0.0000636  0.0013357  0.0063167 -0.0795404  0.6441450 -0.2686411
 -0.0000330 -0.0006772 -0.0031592  0.0199016  0.7193490 -0.4854452
  0.0000084  0.0001737  0.0007661 -0.0039770  0.0296163  0.6502643
 -0.0000039 -0.0000810 -0.0003566  0.0017959 -0.0094193  0.5521293
* P-type functions
   23    4    3
 4.9656588D+07 7.1956823D+06 1.5032424D+06 3.8118893D+05 1.1330273D+05
 3.8093303D+04 1.4078256D+04 5.7048089D+03 2.4778324D+03 1.1409415D+03
 5.5310796D+02 2.7888026D+02 1.4520820D+02 7.7499776D+01 4.1795282D+01
 2.2298162D+01 1.2099286D+01 6.4633354D+00 3.3301176D+00 1.6913757D+00
 7.4891759D-01 3.4066318D-01 1.4035439D-01
  0.0000034 -0.0000016 -0.0000008 -0.0000003
  0.0000112 -0.0000054 -0.0000025 -0.0000009
  0.0000333 -0.0000160 -0.0000074 -0.0000027
  0.0000937 -0.0000451 -0.0000209 -0.0000077
  0.0002546 -0.0001228 -0.0000569 -0.0000211
  0.0007086 -0.0003425 -0.0001587 -0.0000587
  0.0020034 -0.0009716 -0.0004507 -0.0001673
  0.0056947 -0.0027777 -0.0012891 -0.0004770
  0.0162747 -0.0080126 -0.0037289 -0.0013867
  0.0439920 -0.0220395 -0.0102855 -0.0038072
  0.1066400 -0.0550306 -0.0258733 -0.0096490
  0.2142994 -0.1155808 -0.0548018 -0.0203227
  0.3219996 -0.1831526 -0.0882141 -0.0331672
  0.3072044 -0.1607072 -0.0746141 -0.0271497
  0.1483836  0.0824664  0.0657147  0.0255986
  0.0249992  0.4436702  0.3144850  0.1295271
  0.0006280  0.4535800  0.3502528  0.1380939
  0.0000706  0.1454265 -0.1787283 -0.1007709
 -0.0001579  0.0105697 -0.6405199 -0.3809047
  0.0000045  0.0008423 -0.3697819 -0.1995020
 -0.0000099 -0.0001573 -0.0392782  0.4661997
  0.0000044  0.0000422  0.0012802  0.6064693
 -0.0000010 -0.0000121 -0.0003025  0.1500742
* D-type functions
   15    3    2
 8.5871753D+03 2.5294137D+03 1.3393875D+03 5.4596423D+02 2.3085975D+02
 1.0535430D+02 5.0954813D+01 2.5360260D+01 1.2871011D+01 6.4460893D+00
 3.1430631D+00 1.4712040D+00 6.0389343D-01 2.2905715D-01 7.9096585D-02
  0.0000870 -0.0000395  0.0000104
  0.0003530 -0.0001638  0.0000440
  0.0012766 -0.0005787  0.0001517
  0.0083824 -0.0038778  0.0010327
  0.0370914 -0.0171722  0.0045440
  0.1186398 -0.0562564  0.0150204
  0.2637820 -0.1249775  0.0331474
  0.3843876 -0.1760720  0.0469955
  0.3078746 -0.0674093  0.0130637
  0.0989099  0.2763074 -0.0881357
  0.0068562  0.5102379 -0.1658179
  0.0003970  0.3204659 -0.0453232
 -0.0001680  0.0506593  0.3265730
  0.0000607 -0.0013738  0.5549350
 -0.0000142  0.0006438  0.3219397
* F-type functions
   10    1    0
 3.7591040D+02 1.2980203D+02 5.6167429D+01 2.6239296D+01 1.2591573D+01
 6.1042442D+00 2.8869783D+00 1.3071566D+00 5.5124383D-01 2.0550452D-01
 -0.0002847
 -0.0024430
 -0.0126930
 -0.0441964
 -0.1199382
 -0.2377827
 -0.3367312
 -0.3437236
 -0.2410269
 -0.0936654
*
End

*
/Pr.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.13e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Pr(4K)
*
 13.000000            3

* S-type functions
   14    2
   821064.2783000000
    82091.1948800000
    13441.0562000000
     2895.5324240000
      765.5341683000
       99.6362095700
       58.3753618500
       13.5297240800
        2.6688408750
        0.9068967046
        0.5498494032
        0.2386934257
        0.0512363684
        0.0189558410
      0.000216997440  0.000060833068
      0.000945864260  0.000265158350
      0.003642997500  0.001021384500
      0.012814142000  0.003592700800
      0.029781506000  0.008354839800
     -0.098824124000 -0.027896439000
     -0.104311920000 -0.029310728000
      0.552969390000  0.159218740000
     -1.030157900000 -0.326061670000
     -0.218588440000 -0.095846633000
      1.072489000000  0.513074670000
      0.400459350000  0.295201390000
      0.005141529700 -0.871425540000
     -0.000978303710 -0.342731120000
* P-type functions
   10    1
     2383.3110060000
      500.4676672000
      149.7635865000
       22.2569361100
        9.7512966660
        5.5795640890
        2.7015652720
        0.6320065716
        0.2781599912
        0.1073902924
     -0.003513544800
     -0.021536493000
     -0.056252161000
      0.180050030000
      0.127346780000
     -0.249591690000
     -0.392820680000
      0.602776900000
      0.492477790000
      0.064392302000
* D-type functions
    9    1
      293.0301576000
       84.1968602200
       29.9834233400
        5.4364762360
        2.7483418190
        0.5832149874
        0.2348792334
        0.0911435892
        0.0324898696
      0.005505778100
      0.030600583000
      0.063197494000
     -0.123779970000
     -0.135901040000
      0.332890890000
      0.498005280000
      0.321622770000
      0.051528872000
* F-type functions
    8    1
      102.4744130000
       34.3582784900
       13.5663932100
        5.8215646450
        2.5220768420
        1.0692306120
        0.4329972266
        0.1595895576
      0.006758884800
      0.043714046000
      0.148107690000
      0.299384180000
      0.385000070000
      0.325442120000
      0.174164190000
      0.043995179000
*
* Core AIMP:Pr DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    490775.826
    97586.2444
    28310.6923
    9264.40792
    3311.92515
    1221.23209
    456.445841
    203.080259
    67.9755105
    6.21700450
    33.8465751
    3.44468663
    1.74029162

   .037170868388
   .035666700185
   .059705883371
   .095369521245
   .133508326399
   .164261204601
   .290117385181
   .378492724954
   .320259723244
   .713108679467
   .858119643309
   .409856436220
   .042824441897
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    3101.883000     507.637940     113.465326      24.496440
    .360372520E+11
    .358505540E+10
    612614180.
    133624760.
    33510357.0
    9483463.30
    2921844.30
    979418.900
    347661.510
    127316.570
    48527.8350
    19156.2020
    7788.00240
    3252.71250
    1398.72620
    619.289230
    282.806690
    118.907510
    54.5624490
    21.5796990
    11.1011310
    4.27014540
    2.16034320
    .625391290
    .292596260
    .520906360E-01
    .221047860E-01
   .000003479931  -.000001239314   .000000567003   .000000268652
   .000013585043  -.000004834355   .000002211283   .000001047741
   .000039259800  -.000013960678   .000006386111   .000003025616
   .000103562400  -.000036827470   .000016842816   .000007980340
   .000249835629  -.000088819122   .000040630189   .000019249280
   .000562947838  -.000200355672   .000091634466   .000043420293
   .001210380695  -.000431013714   .000197249699   .000093450466
   .002469189989  -.000882537238   .000403779237   .000191373739
   .005094307077  -.001825083916   .000836364284   .000396264798
   .010501345953  -.003800378234   .001740928088   .000825639605
   .021547602905  -.007861578871   .003615949975   .001713760390
   .044776424802  -.016781733151   .007719292147   .003666658479
   .093453602586  -.036089317324   .016770875885   .007960305754
   .185292919179  -.077683626698   .036296720751   .017318335900
   .310208598625  -.147347111324   .071038063512   .033946377803
   .340186948492  -.213210941915   .105992819272   .051464988701
   .161616169284  -.062252336559   .032149662779   .015021655913
   .014770217935   .479542174308  -.377545477407  -.200230798839
  -.001113452595   .585396345259  -.618903665750  -.365566877880
   .000407474628   .108841240978   .385419267353   .338967028034
  -.000284275139  -.018841606169   .860455794091  1.017120994100
   .000133412079   .006834144861   .129378179111  -.503923807077
  -.000065062560  -.003486070131  -.019986035863  -.919304694668
   .000022436124   .001139401910   .005282001564  -.068113302605
  -.000011356413  -.000557029065  -.002561521482   .016407847905
   .000002896019   .000143318281   .000624143876  -.003342212881
  -.000001379933  -.000068247279  -.000296626078   .001546955791
   23    3
     454.206100      96.109874      18.593535
    50594217.0
    7225282.10
    1495736.30
    382198.330
    113750.660
    38073.7700
    14113.3960
    5705.98350
    2477.03080
    1141.77730
    552.729510
    278.712260
    145.161920
    77.4293460
    41.7283850
    22.3404150
    12.1524670
    6.49051220
    3.36995450
    1.72387190
    .754564780
    .339422240
    .140583310
   .000003637679  -.000001755033  -.000000815966
   .000012152557  -.000005865558  -.000002727214
   .000035962623  -.000017369131  -.000008077521
   .000099971430  -.000048340260  -.000022482884
   .000274116048  -.000132752670  -.000061779054
   .000760389064  -.000369218440  -.000171844480
   .002136967184  -.001041234900  -.000485276050
   .006104320053  -.002992495101  -.001395334101
   .017287370868  -.008556329904  -.004001780203
   .046586065645  -.023479156010  -.011011346007
   .112243429144  -.058317574025  -.027568592017
   .222089848307  -.120720810052  -.057549760036
   .326864647508  -.187212950081  -.090716217057
   .300702537707  -.153007610066  -.070382469044
   .136870398956   .107161120047   .081222295051
   .020862293841   .461467950201   .333483130209
   .000652720715   .435206440189   .330561720207
  -.000069639841   .128580790056  -.223680540140
  -.000086003841   .008214559804  -.637086930399
  -.000022664475   .000928646940  -.343534250215
   .000002535712  -.000192437200  -.034945751022
  -.000000785260   .000058960141   .001624637201
   .000000294948  -.000016289545  -.000385501940
   15    2
      71.509066       9.854978
    16349.9430
    3082.35250
    1013.80760
    404.192290
    178.284370
    84.0880370
    41.4887910
    20.9805300
    10.7745650
    5.42897320
    2.67505600
    1.26356530
    .508610240
    .200792410
    .722696100E-01
   .000040578795  -.000018646917
   .000464225188  -.000214576079
   .003012136688  -.001390407190
   .015333769938  -.007155494951
   .058849816763  -.027657702811
   .164682739336  -.079171701458
   .315434748729  -.149665888975
   .382569638458  -.166546578859
   .232405219063   .031610264784
   .052280222789   .379223717403
   .001873448192   .480733526708
   .000289645399   .224037168466
  -.000104062400   .024583514832
   .000048140005  -.001180457692
  -.000008020877   .000299081548
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Pr.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 4.9230765D+10 3.8789882D+09 5.9318815D+08 1.2540535D+08 3.2524318D+07
 9.5292205D+06 2.9615650D+06 9.8352823D+05 3.4922538D+05 1.2893890D+05
 4.9198751D+04 1.9315976D+04 7.8112677D+03 3.2695886D+03 1.4087527D+03
 6.2417113D+02 2.8532902D+02 1.1950661D+02 5.4804971D+01 2.1557200D+01
 1.1085975D+01 4.1973320D+00 2.1111952D+00 5.9179526D-01 2.7548221D-01
 5.0025313D-02 2.1368062D-02
  0.0000030 -0.0000011  0.0000005  0.0000002  0.0000001  0.0000000
  0.0000138 -0.0000049  0.0000022  0.0000011  0.0000004  0.0000001
  0.0000420 -0.0000149  0.0000068  0.0000032  0.0000013  0.0000003
  0.0001076 -0.0000383  0.0000175  0.0000083  0.0000032  0.0000009
  0.0002468 -0.0000878  0.0000401  0.0000190  0.0000075  0.0000020
  0.0005505 -0.0001959  0.0000896  0.0000423  0.0000166  0.0000044
  0.0012035 -0.0004286  0.0001961  0.0000926  0.0000364  0.0000097
  0.0024805 -0.0008866  0.0004057  0.0001917  0.0000753  0.0000201
  0.0050387 -0.0018051  0.0008273  0.0003907  0.0001535  0.0000410
  0.0103432 -0.0037432  0.0017148  0.0008107  0.0003188  0.0000851
  0.0213671 -0.0077937  0.0035849  0.0016934  0.0006653  0.0001779
  0.0448329 -0.0168007  0.0077281  0.0036594  0.0014397  0.0003845
  0.0933302 -0.0360319  0.0167455  0.0079216  0.0031122  0.0008326
  0.1838427 -0.0770550  0.0359977  0.0171239  0.0067458  0.0018009
  0.3088612 -0.1464200  0.0705852  0.0336095  0.0132185  0.0035393
  0.3404348 -0.2129412  0.1057919  0.0512212  0.0202737  0.0054076
  0.1640267 -0.0652164  0.0338495  0.0157603  0.0060991  0.0016603
  0.0155058  0.4759610 -0.3743287 -0.1976394 -0.0794108 -0.0213712
 -0.0012996  0.5889398 -0.6211001 -0.3657023 -0.1515739 -0.0406228
  0.0005086  0.1103740  0.3838476  0.3386696  0.1544578  0.0415793
 -0.0003464 -0.0194828  0.8631186  1.0104624  0.4867270  0.1350181
  0.0001610  0.0069592  0.1271209 -0.5283481 -0.3689966 -0.1093919
 -0.0000794 -0.0035350 -0.0205147 -0.8959400 -0.8234612 -0.2476624
  0.0000273  0.0011526  0.0054399 -0.0640019  0.7105489  0.2679733
 -0.0000141 -0.0005788 -0.0027021  0.0162726  0.6393462  0.4374796
  0.0000037  0.0001550  0.0006896 -0.0034768  0.0215198 -0.6893151
 -0.0000018 -0.0000738 -0.0003279  0.0016108 -0.0070762 -0.5028281
* P-type functions
   23    4    3
 5.1093673D+07 7.2150462D+06 1.4890556D+06 3.8379255D+05 1.1372872D+05
 3.8075062D+04 1.4131287D+04 5.7033863D+03 2.4778855D+03 1.1418199D+03
 5.5268940D+02 2.7870202D+02 1.4516744D+02 7.7462378D+01 4.1758039D+01
 2.2346049D+01 1.2160891D+01 6.5240612D+00 3.3796572D+00 1.7169726D+00
 7.5073577D-01 3.3859350D-01 1.3995024D-01
  0.0000036 -0.0000017 -0.0000008 -0.0000003
  0.0000122 -0.0000059 -0.0000027 -0.0000010
  0.0000359 -0.0000173 -0.0000080 -0.0000029
  0.0000995 -0.0000481 -0.0000223 -0.0000079
  0.0002753 -0.0001333 -0.0000618 -0.0000219
  0.0007580 -0.0003681 -0.0001706 -0.0000605
  0.0021379 -0.0010418 -0.0004834 -0.0001719
  0.0061087 -0.0029949 -0.0013903 -0.0004926
  0.0172711 -0.0085490 -0.0039809 -0.0014174
  0.0466171 -0.0234970 -0.0109713 -0.0038891
  0.1122438 -0.0583233 -0.0274508 -0.0098020
  0.2221278 -0.1207565 -0.0573130 -0.0203539
  0.3267548 -0.1871654 -0.0902941 -0.0325096
  0.3005769 -0.1530203 -0.0700935 -0.0243060
  0.1370016  0.1070397  0.0807979  0.0300966
  0.0208933  0.4616901  0.3318074  0.1309558
  0.0006509  0.4341239  0.3286116  0.1223937
 -0.0000626  0.1289279 -0.2178396 -0.1136277
 -0.0000848  0.0090131 -0.6333826 -0.3592042
 -0.0000235  0.0007766 -0.3505490 -0.1712866
  0.0000022 -0.0001019 -0.0368752  0.4387480
 -0.0000010  0.0000305  0.0013744  0.6020001
  0.0000002 -0.0000071 -0.0003580  0.1686149
* D-type functions
   15    2    2
 1.2713148D+04 3.3541165D+03 1.2207718D+03 5.2304242D+02 2.4730016D+02
 1.2414225D+02 6.4954192D+01 3.4766164D+01 1.8896568D+01 1.0329810D+01
 5.5740750D+00 2.9513049D+00 1.5332733D+00 7.5787953D-01 3.1169924D-01
  0.0000469 -0.0000214
  0.0003491 -0.0001597
  0.0019377 -0.0008882
  0.0086559 -0.0039896
  0.0309628 -0.0143753
  0.0883755 -0.0416426
  0.1947284 -0.0928791
  0.3126875 -0.1459761
  0.3372854 -0.1376552
  0.1980598  0.0459341
  0.0503916  0.3272853
  0.0036421  0.4376200
  0.0002524  0.2686230
 -0.0000343  0.0687516
  0.0000105  0.0041181
* F-type functions
   10    1    0
 3.8258496D+02 1.3369373D+02 5.6360841D+01 2.6158584D+01 1.2665608D+01
 6.1921268D+00 2.9282665D+00 1.3081764D+00 5.3607490D-01 1.9322252D-01
 -0.0002925
 -0.0026062
 -0.0141275
 -0.0476623
 -0.1242638
 -0.2388501
 -0.3347808
 -0.3436361
 -0.2439819
 -0.0977491
*
End

*
/Nd.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.14e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Nd(5K)
*
 14.000000            3

* S-type functions
   14    2
   828861.2861000000
    87338.9033000000
    13851.9265400000
     2977.2785840000
      795.2179481000
      108.0665798000
       63.4850260900
       14.1673725500
        2.7999168350
        0.8930253458
        0.5590764249
        0.2418718821
        0.0608414806
        0.0241635984
     -0.000223880070  0.000062174196
     -0.000960046280  0.000266615150
     -0.003786241400  0.001051577800
     -0.012943024000  0.003594948600
     -0.029747010000  0.008266464600
      0.085192929000 -0.023811567000
      0.117981600000 -0.032886943000
     -0.552613700000  0.157675120000
      1.031982700000 -0.324123170000
      0.200239130000 -0.076888690000
     -1.086877800000  0.492073190000
     -0.371224220000  0.312721830000
     -0.005519743400 -0.702867090000
      0.000936092240 -0.526998170000
* P-type functions
   10    1
     2578.1453530000
      537.7875135000
      158.8766974000
       22.9830975000
        9.8107816870
        6.0676403510
        2.8712644420
        0.6758963414
        0.3086321775
        0.1227994927
     -0.003369425000
     -0.020867938000
     -0.056663342000
      0.183958400000
      0.136813800000
     -0.251744490000
     -0.400839540000
      0.558875220000
      0.511960120000
      0.088316998000
* D-type functions
    9    1
      310.0074178000
       88.9875651200
       31.6035043600
        5.6794177870
        2.8031315350
        0.6605154723
        0.2768348481
        0.1103346689
        0.0428661089
      0.005406831200
      0.030425188000
      0.063795979000
     -0.128757240000
     -0.134538080000
      0.285310200000
      0.480685350000
      0.355620970000
      0.087933064000
* F-type functions
    8    1
      103.8540222000
       35.1514537700
       14.0690923100
        6.1303591860
        2.7260817770
        1.2109346750
        0.5177638101
        0.1987881120
      0.007506213000
      0.046881198000
      0.153920720000
      0.300784920000
      0.372501430000
      0.310905660000
      0.175468840000
      0.049512877000
*
* Core AIMP:Nd DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    480187.310
    97486.0957
    28663.3059
    9497.97194
    3421.47879
    1263.88316
    473.953587
    211.888164
    71.4823180
    6.50683783
    35.5510165
    3.57801998
    1.79491447

   .035508075049
   .033519306657
   .055746831392
   .088392453755
   .123754381404
   .152945789845
   .268987419823
   .350206755891
   .293228976548
   .673870436902
   .800801282029
   .372640792488
   .036111783932
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    3218.760600     529.350380     118.824042      25.600900
    .341599610E+11
    .355164780E+10
    593009160.
    129864190.
    33208787.0
    9345318.80
    2919039.20
    990957.700
    353157.460
    130255.310
    49514.8850
    19441.1000
    7846.36400
    3270.16350
    1408.18870
    625.266410
    286.424270
    122.439860
    56.4665500
    22.3710260
    11.5528330
    4.47986690
    2.25774900
    .655022490
    .305411530
    .532288660E-01
    .223789680E-01
   .000003816386  -.000001364947   .000000626492   .000000297831
   .000014675731  -.000005244403   .000002406541   .000001144069
   .000043477723  -.000015525270   .000007124566   .000003386752
   .000110927750  -.000039609754   .000018173168   .000008639462
   .000267447829  -.000095476457   .000043815517   .000020827651
   .000604547847  -.000216048789   .000099127641   .000047127945
   .001262603895  -.000451507537   .000207294920   .000098536924
   .002582237389  -.000926765734   .000425370111   .000202282770
   .005279116877  -.001899638888   .000873364411   .000415175430
   .010848751954  -.003942595574   .001811908603   .000862196319
   .022376757904  -.008204847847   .003786324506   .001800534599
   .046631492800  -.017560091886   .008104833313   .003862920597
   .097190250583  -.037794912754   .017627491029   .008395496093
   .190282299185  -.080387412476   .037706232061   .018056526986
   .313311208657  -.150577809019   .072950907118   .034984218972
   .335454948562  -.212101258618   .105892090172   .051641785959
   .153689979341  -.051693130663   .026308674043   .012075270990
   .013192257943   .483685306847  -.384708810625  -.205030869836
  -.000699030257   .578996736226  -.614000050997  -.365109699708
   .000181523449   .107621589299   .398054670646   .355287139715
  -.000139338639  -.019203469875   .852214461384  1.012714499189
   .000061409879   .006957070655   .127071100206  -.518444849585
  -.000026645856  -.003507885677  -.018940505031  -.912084639270
   .000009048306   .001143214693   .005012790708  -.066869530946
  -.000004634844  -.000553378946  -.002406760004   .015838178987
   .000001145516   .000139876929   .000575473871  -.003172693397
  -.000000546310  -.000066658217  -.000273724060   .001470247299
   23    3
     473.251540     100.684698      19.429094
    50580510.0
    7192376.40
    1495567.60
    384138.030
    113618.190
    38144.7820
    14128.0700
    5703.93980
    2477.92200
    1142.02680
    552.563680
    278.560960
    145.186930
    77.4912840
    41.7004060
    22.3606220
    12.1711060
    6.50313230
    3.38200380
    1.73058830
    .759920220
    .340020960
    .139888740
   .000003929865  -.000001903979  -.000000888700
   .000013155313  -.000006376425  -.000002976429
   .000038470032  -.000018658952  -.000008711561
   .000107402360  -.000052157303  -.000024354332
   .000295080270  -.000143525301  -.000067057235
   .000811599370  -.000395852023  -.000184977421
   .002290193901  -.001120972608  -.000524546713
   .006514322902  -.003209025824  -.001502396410
   .018357770006  -.009132697369  -.004289350728
   .049290639017  -.024988197189  -.011769672076
   .117845730040  -.061633582465  -.029272025188
   .229951090078  -.125952900951  -.060336112387
   .330419670111  -.190422471438  -.092732352595
   .293615660099  -.144429991090  -.065591816421
   .126510580043   .132072990997   .097333183624
   .017169521006   .478783493615   .352235502260
   .000741687560   .414796403132   .306630201967
  -.000226937830   .112173440847  -.270928871738
  -.000001873318   .006470639849  -.635802754079
  -.000054968469   .000840519986  -.311257181997
   .000016881793  -.000175372351  -.028832666185
  -.000006698843   .000052696704   .001120838407
   .000001859331  -.000014171416  -.000255897802
   15    2
      75.249276      10.354821
    8792.30060
    3651.65620
    1380.75370
    595.514000
    268.846850
    125.414390
    60.8301030
    30.1853670
    15.2148220
    7.53916070
    3.65499930
    1.70848630
    .712886350
    .259722100
    .848637990E-01
   .000066355812  -.000030429186
   .000273300231  -.000128236970
   .001645520604  -.000760362372
   .007486765619  -.003519846508
   .031515865080  -.014792644033
   .103405510262  -.049709196111
   .244086760618  -.117663950263
   .380611030964  -.179006840400
   .332505490842  -.091992496205
   .115758230293   .255438940570
   .008539956022   .513124751146
   .000747428362   .336702040752
  -.000222772911   .058246368130
   .000095943890  -.000720215482
  -.000016849019   .000473341961
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Nd.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 2.9095464D+10 3.5474248D+09 6.2660415D+08 1.3247865D+08 3.2558625D+07
 9.1881109D+06 2.9315518D+06 1.0008688D+06 3.5389774D+05 1.3037114D+05
 4.9842271D+04 1.9521555D+04 7.8510058D+03 3.2730637D+03 1.4102050D+03
 6.2666120D+02 2.8753121D+02 1.2276019D+02 5.6635177D+01 2.2562431D+01
 1.1584069D+01 4.4274956D+00 2.2154057D+00 6.2284904D-01 2.8814518D-01
 5.0162524D-02 2.1350077D-02
  0.0000041 -0.0000015  0.0000007  0.0000003  0.0000001  0.0000000
  0.0000138 -0.0000049  0.0000023  0.0000011  0.0000004 -0.0000001
  0.0000418 -0.0000149  0.0000069  0.0000032  0.0000013 -0.0000003
  0.0001133 -0.0000405  0.0000186  0.0000088  0.0000034 -0.0000009
  0.0002751 -0.0000982  0.0000451  0.0000214  0.0000084 -0.0000022
  0.0006022 -0.0002152  0.0000988  0.0000468  0.0000183 -0.0000048
  0.0012400 -0.0004434  0.0002036  0.0000965  0.0000378 -0.0000100
  0.0025742 -0.0009239  0.0004241  0.0002011  0.0000788 -0.0000208
  0.0053098 -0.0019108  0.0008785  0.0004164  0.0001631 -0.0000431
  0.0107832 -0.0039190  0.0018013  0.0008547  0.0003351 -0.0000884
  0.0222042 -0.0081409  0.0037565  0.0017810  0.0006976 -0.0001843
  0.0467296 -0.0175953  0.0081228  0.0038604  0.0015143 -0.0003995
  0.0972674 -0.0378255  0.0176383  0.0083750  0.0032808 -0.0008671
  0.1899726 -0.0802547  0.0376571  0.0179829  0.0070635 -0.0018630
  0.3129487 -0.1503503  0.0728080  0.0348040  0.0136489 -0.0036104
  0.3351248 -0.2117965  0.1058200  0.0514756  0.0203204 -0.0053547
  0.1544400 -0.0528809  0.0267724  0.0122206  0.0046683 -0.0012623
  0.0135809  0.4817222 -0.3822602 -0.2029313 -0.0813321  0.0216226
 -0.0008156  0.5801374 -0.6165149 -0.3656437 -0.1512579  0.0400553
  0.0002476  0.1082338  0.3898408  0.3471996  0.1580672 -0.0420791
 -0.0001790 -0.0182374  0.8616617  1.0143370  0.4875526 -0.1334950
  0.0000796  0.0064850  0.1260358 -0.5342920 -0.3720851  0.1085552
 -0.0000360 -0.0032512 -0.0192295 -0.8959827 -0.8197312  0.2435086
  0.0000122  0.0010489  0.0050627 -0.0633007  0.7013590 -0.2599035
 -0.0000063 -0.0005168 -0.0024680  0.0156213  0.6469881 -0.4327512
  0.0000016  0.0001354  0.0006143 -0.0032617  0.0219282  0.7103886
 -0.0000008 -0.0000653 -0.0002957  0.0015313 -0.0074689  0.4759315
* P-type functions
   23    4    3
 4.8217378D+07 7.2613553D+06 1.5073401D+06 3.8235630D+05 1.1381377D+05
 3.8195061D+04 1.4131438D+04 5.7042242D+03 2.4781889D+03 1.1422855D+03
 5.5255985D+02 2.7845795D+02 1.4526851D+02 7.7536685D+01 4.1634185D+01
 2.2368480D+01 1.2189504D+01 6.5377726D+00 3.3940219D+00 1.7295041D+00
 7.5379370D-01 3.3887829D-01 1.3960772D-01
  0.0000040 -0.0000019 -0.0000009 -0.0000003
  0.0000128 -0.0000062 -0.0000029 -0.0000010
  0.0000387 -0.0000188 -0.0000087 -0.0000031
  0.0001078 -0.0000524 -0.0000244 -0.0000086
  0.0002935 -0.0001428 -0.0000664 -0.0000235
  0.0008122 -0.0003961 -0.0001844 -0.0000650
  0.0022905 -0.0011214 -0.0005226 -0.0001848
  0.0065142 -0.0032086 -0.0014962 -0.0005272
  0.0183557 -0.0091344 -0.0042729 -0.0015132
  0.0492687 -0.0249728 -0.0117152 -0.0041297
  0.1179650 -0.0617203 -0.0291951 -0.0103706
  0.2299257 -0.1259033 -0.0600694 -0.0212131
  0.3298649 -0.1902637 -0.0922810 -0.0330694
  0.2943162 -0.1444460 -0.0653272 -0.0223520
  0.1265215  0.1323483  0.0972266  0.0359821
  0.0168207  0.4777592  0.3494995  0.1377611
  0.0008993  0.4143113  0.3058593  0.1110877
 -0.0002970  0.1127333 -0.2648314 -0.1341215
  0.0000355  0.0071423 -0.6315696 -0.3623269
 -0.0000719  0.0007176 -0.3192268 -0.1372745
  0.0000229 -0.0000956 -0.0311411  0.4632934
 -0.0000097  0.0000286  0.0012302  0.5844264
  0.0000026 -0.0000062 -0.0003116  0.1531668
* D-type functions
   15    2    2
 1.2677919D+04 3.3468628D+03 1.2195618D+03 5.2306807D+02 2.4731472D+02
 1.2413536D+02 6.4965013D+01 3.4760943D+01 1.8905104D+01 1.0333931D+01
 5.5709417D+00 2.9519905D+00 1.5328380D+00 7.5575620D-01 3.0598871D-01
  0.0000517 -0.0000238
  0.0003830 -0.0001766
  0.0021144 -0.0009765
  0.0093875 -0.0043634
  0.0333560 -0.0156115
  0.0942268 -0.0448243
  0.2041826 -0.0981123
  0.3207313 -0.1505958
  0.3323567 -0.1316222
  0.1837705  0.0698769
  0.0430452  0.3476103
  0.0028033  0.4313625
  0.0002624  0.2478214
 -0.0000220  0.0586992
  0.0000122  0.0032204
* F-type functions
   10    1    0
 3.7959709D+02 1.3109244D+02 5.6143064D+01 2.6350663D+01 1.2769647D+01
 6.2466792D+00 2.9709753D+00 1.3491672D+00 5.6686572D-01 2.0819149D-01
 -0.0003538
 -0.0031276
 -0.0158540
 -0.0526287
 -0.1356307
 -0.2511032
 -0.3361944
 -0.3288720
 -0.2286271
 -0.0909939
*
End

*
/Pm.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.15e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Pm(6L)
*
 15.000000            3

* S-type functions
   14    2
   850601.7407000000
    83109.0624500000
    13288.5583500000
     2888.4238340000
      791.4186271000
      121.5221803000
       69.7725299900
       14.8152350500
        2.9392563800
        0.9198486723
        0.6469431888
        0.2803156458
        0.0622657024
        0.0251964409
     -0.000240147780  0.000065989504
     -0.001064355400  0.000292470440
     -0.004096749500  0.001125837800
     -0.013688057000  0.003761875800
     -0.029323691000  0.008063191400
      0.066360345000 -0.018348685000
      0.136555330000 -0.037685152000
     -0.550498450000  0.155408260000
      1.021414600000 -0.317190520000
      0.373047160000 -0.135275780000
     -1.135992600000  0.473170090000
     -0.481966910000  0.367763610000
     -0.013123957000 -0.671604440000
      0.003318293400 -0.543309670000
* P-type functions
   10    1
     2732.4988780000
      566.5841810000
      166.4188718000
       23.8651718400
        9.7722788210
        6.4614102690
        2.9917373310
        0.7139645363
        0.3308207952
        0.1355680853
     -0.003320104900
     -0.020634766000
     -0.056789520000
      0.186431580000
      0.156204870000
     -0.276649190000
     -0.395799630000
      0.538168280000
      0.517129750000
      0.104435570000
* D-type functions
    9    1
      326.3438806000
       93.4966734400
       33.1981598200
        5.9486730070
        2.9383677420
        0.7003987066
        0.3025242909
        0.1260517128
        0.0503697585
      0.005343260500
      0.030382539000
      0.064157091000
     -0.130300060000
     -0.132592370000
      0.273975940000
      0.454555180000
      0.363865110000
      0.118217460000
* F-type functions
    8    1
      118.6338373000
       40.0543770700
       16.0617690700
        7.0552926590
        3.1729055260
        1.4226636850
        0.6102736359
        0.2371209971
      0.006402210100
      0.042098360000
      0.142249890000
      0.287169920000
      0.367524860000
      0.321222470000
      0.189548470000
      0.057718934000
*
* Core AIMP:Pm DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    539339.650
    107436.665
    31213.9187
    10222.0088
    3638.30428
    1328.46572
    494.744133
    220.729157
    74.4222523
    6.78827060
    37.1974667
    3.69752447
    1.84003435

   .032143240191
   .030782373032
   .051451040449
   .082188294518
   .116270351376
   .144037223788
   .251652323486
   .327654722973
   .273809754215
   .642137646612
   .746531947249
   .338058913069
   .029948835710
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    3338.172600     551.603320     124.307960      26.723382
    .398743610E+11
    .393553700E+10
    611953180.
    126257430.
    31996850.0
    9351105.10
    2968900.80
    995810.540
    356357.330
    132353.300
    50193.6210
    19583.2040
    7881.24330
    3278.36130
    1411.28840
    627.485480
    287.744260
    125.101760
    58.0071050
    23.2171510
    11.9902040
    4.70281020
    2.35653100
    .681107410
    .314895120
    .545361100E-01
    .226490000E-01
   .000003707500  -.000001331840   .000000613191   .000000292391
   .000015083163  -.000005413042   .000002491606   .000001188095
   .000047436203  -.000017010531   .000007830103   .000003733403
   .000124155800  -.000044517251   .000020487583   .000009769185
   .000287243841  -.000102973671   .000047401337   .000022600187
   .000622326872  -.000223324251   .000102779560   .000049012402
   .001330550204  -.000477827253   .000220051600   .000104916771
   .002740102109  -.000987501786   .000454651159   .000216863311
   .005482077618  -.001981561011   .000913855848   .000435735113
   .011257501038  -.004108559423   .001894121797   .000904075106
   .023385186078  -.008618690648   .003989785693   .001903056712
   .048702176163  -.018431958103   .008535940884   .004081080425
   .100871820337  -.039508238221   .018490392966   .008833682555
   .196061050655  -.083490112467   .039317217928   .018891216117
   .317297301060  -.154466330863   .075188185862   .036174665225
   .330556851104  -.211044841179   .105870619806   .051849886322
   .144246820482  -.037880324212   .018355664966   .008013016050
   .011148248037   .492666842753  -.396531489274  -.212412381319
  -.000234666151   .567590663172  -.605859938890  -.363084142255
  -.000068315923   .103319060577   .416054029238   .375537302332
   .000021071916  -.017832139100   .842071238457  1.007292806256
  -.000016713715   .006378671836   .123662339773  -.533317333312
   .000013876307  -.003154231118  -.017260102968  -.906046055627
  -.000004879579   .001014097706   .004547310892  -.065370538406
   .000002218837  -.000486867083  -.002171109396   .015402464096
  -.000000584496   .000122902091   .000517743939  -.003096881919
   .000000276968  -.000058244007  -.000244911700   .001428205109
   23    3
     492.705260     105.351440      20.273742
    51661379.0
    7370657.00
    1523082.00
    387964.880
    114908.620
    38380.7190
    14198.2890
    5727.91540
    2483.37890
    1142.59610
    552.781950
    278.734490
    145.330500
    77.6546450
    41.9267170
    22.6788550
    12.4173070
    6.65044590
    3.47982070
    1.79081590
    .803330390
    .362782940
    .151128310
   .000004164551  -.000002025848  -.000000948945
   .000013903847  -.000006766556  -.000003169783
   .000041102935  -.000020017525  -.000009379135
   .000114447060  -.000055806975  -.000026151907
   .000313842830  -.000153292810  -.000071877056
   .000866981311  -.000424661859  -.000199160769
   .002433517804  -.001196433297  -.000561893346
   .006917781211  -.003423352190  -.001608701089
   .019489865031  -.009745020073  -.004594309470
   .052093128082  -.026556566926  -.012558240917
   .123329770194  -.064925833820  -.030966033795
   .237477980374  -.131012289636  -.063044394582
   .333526730526  -.193312279463  -.094545458374
   .285329360450  -.134634679626  -.060095193602
   .116727550184   .151970959578   .110462379268
   .014894906023   .484027448655   .361239387607
   .000727641841   .400371518888   .288812238087
  -.000251698080   .104300749710  -.293117128058
   .000010165863   .005609932984  -.628763315834
  -.000056760363   .000905791667  -.298850678020
   .000018100278  -.000198479809  -.028166210813
  -.000007034337   .000062313065   .000764125535
   .000001930939  -.000016591744  -.000195875619
   15    2
      79.060950      10.858117
    14902.0690
    4213.73440
    1319.99470
    494.826760
    210.100870
    97.7478550
    48.4414580
    24.8592730
    12.9683330
    6.60605600
    3.26322840
    1.54114790
    .624675190
    .238344750
    .810051520E-01
   .000037317420  -.000017343978
   .000301380790  -.000141164919
   .002295574102  -.001072997595
   .013037161012  -.006157880571
   .053268932049  -.025340773882
   .152667410141  -.074317618654
   .297007670274  -.143341479333
   .376511330348  -.170319139207
   .257233070238  -.007799051764
   .069452205064   .339110718422
   .003675165803   .494588457698
   .000458125200   .264373508770
  -.000107793810   .035220101836
   .000062861849  -.001244686594
  -.000005408184   .000495718628
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Pm.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 6.9230958D+10 4.1782939D+09 5.5670649D+08 1.1894984D+08 3.3354640D+07
 9.4636465D+06 2.9146408D+06 9.9751535D+05 3.5878916D+05 1.3275153D+05
 5.0422403D+04 1.9620511D+04 7.8842289D+03 3.2824340D+03 1.4129422D+03
 6.2855151D+02 2.8914278D+02 1.2515307D+02 5.8008532D+01 2.3250915D+01
 1.1974734D+01 4.7467597D+00 2.3444303D+00 6.7464215D-01 3.1145248D-01
 5.3807906D-02 2.3582913D-02
  0.0000029 -0.0000010  0.0000005  0.0000002  0.0000001  0.0000000
  0.0000163 -0.0000058  0.0000027  0.0000013  0.0000005 -0.0000001
  0.0000523 -0.0000188  0.0000086  0.0000041  0.0000016 -0.0000004
  0.0001196 -0.0000429  0.0000197  0.0000094  0.0000037 -0.0000010
  0.0002712 -0.0000972  0.0000448  0.0000213  0.0000083 -0.0000022
  0.0006471 -0.0002322  0.0001069  0.0000508  0.0000199 -0.0000052
  0.0013431 -0.0004824  0.0002222  0.0001056  0.0000413 -0.0000108
  0.0026858 -0.0009680  0.0004457  0.0002120  0.0000829 -0.0000216
  0.0054843 -0.0019823  0.0009142  0.0004347  0.0001698 -0.0000444
  0.0112262 -0.0040974  0.0018892  0.0008992  0.0003515 -0.0000918
  0.0233054 -0.0085883  0.0039755  0.0018913  0.0007386 -0.0001931
  0.0488033 -0.0184716  0.0085558  0.0040790  0.0015956 -0.0004166
  0.1007958 -0.0394733  0.0184719  0.0088024  0.0034376 -0.0008995
  0.1957521 -0.0833688  0.0392695  0.0188132  0.0073702 -0.0019232
  0.3172537 -0.1543493  0.0751079  0.0360493  0.0140911 -0.0036916
  0.3300073 -0.2108327  0.1058250  0.0516553  0.0203529 -0.0053017
  0.1448257 -0.0385279  0.0185753  0.0081825  0.0030106 -0.0008316
  0.0117721  0.4926947 -0.3962172 -0.2118650 -0.0846251  0.0223049
 -0.0005084  0.5677368 -0.6069936 -0.3622566 -0.1498291  0.0391863
  0.0000979  0.1030000  0.4179608  0.3741224  0.1707740 -0.0447815
 -0.0000888 -0.0175351  0.8412256  1.0076674  0.4825209 -0.1312732
  0.0000376  0.0062301  0.1215371 -0.5297025 -0.3607434  0.1050164
 -0.0000138 -0.0030071 -0.0150815 -0.9102782 -0.8340315  0.2429255
  0.0000047  0.0009784  0.0040738 -0.0664651  0.6455411 -0.2262346
 -0.0000025 -0.0004735 -0.0019524  0.0155696  0.6984962 -0.4538783
  0.0000006  0.0001261  0.0004881 -0.0032904  0.0278898  0.6266646
 -0.0000003 -0.0000622 -0.0002404  0.0015803 -0.0099138  0.5526011
* P-type functions
   23    4    3
 5.1833132D+07 7.3684136D+06 1.5238966D+06 3.8821576D+05 1.1499315D+05
 3.8394735D+04 1.4203400D+04 5.7292780D+03 2.4835172D+03 1.1426786D+03
 5.5274934D+02 2.7870834D+02 1.4534124D+02 7.7645304D+01 4.1946785D+01
 2.2692210D+01 1.2434808D+01 6.6594496D+00 3.4879427D+00 1.7846806D+00
 8.0109477D-01 3.6268475D-01 1.5088131D-01
  0.0000042 -0.0000020 -0.0000009 -0.0000003
  0.0000139 -0.0000068 -0.0000032 -0.0000011
  0.0000411 -0.0000200 -0.0000093 -0.0000033
  0.0001144 -0.0000558 -0.0000260 -0.0000091
  0.0003137 -0.0001532 -0.0000716 -0.0000251
  0.0008669 -0.0004246 -0.0001984 -0.0000696
  0.0024326 -0.0011960 -0.0005597 -0.0001967
  0.0069179 -0.0034238 -0.0016027 -0.0005619
  0.0194913 -0.0097460 -0.0045785 -0.0016115
  0.0520911 -0.0265591 -0.0125106 -0.0043888
  0.1233841 -0.0649561 -0.0308725 -0.0108989
  0.2374466 -0.1310216 -0.0627961 -0.0220778
  0.3335559 -0.1933107 -0.0942374 -0.0335431
  0.2853584 -0.1347456 -0.0598265 -0.0202945
  0.1165241  0.1520901  0.1098441  0.0406769
  0.0150535  0.4833344  0.3596241  0.1408673
  0.0006445  0.4004892  0.2867689  0.1027935
 -0.0001928  0.1048399 -0.2873889 -0.1455739
 -0.0000196  0.0056382 -0.6252749 -0.3557318
 -0.0000425  0.0009961 -0.3053558 -0.1304103
  0.0000116 -0.0002060 -0.0294983  0.4445104
 -0.0000047  0.0000737  0.0004116  0.5868753
  0.0000012 -0.0000179 -0.0001419  0.1704736
* D-type functions
   15    2    2
 1.2635104D+04 3.3375861D+03 1.2182956D+03 5.2322078D+02 2.4729887D+02
 1.2413041D+02 6.4977687D+01 3.4753801D+01 1.8915051D+01 1.0335007D+01
 5.5679225D+00 2.9529940D+00 1.5310765D+00 7.5311752D-01 3.0231499D-01
  0.0000569 -0.0000263
  0.0004199 -0.0001950
  0.0023014 -0.0010701
  0.0101604 -0.0047589
  0.0358843 -0.0169196
  0.1002210 -0.0480944
  0.2136772 -0.1033471
  0.3281012 -0.1547723
  0.3262323 -0.1240654
  0.1699517  0.0941353
  0.0365290  0.3653343
  0.0022518  0.4231652
  0.0002345  0.2282455
  0.0000012  0.0499006
  0.0000102  0.0025993
* F-type functions
   10    1    0
 3.7849549D+02 1.3079325D+02 5.6126261D+01 2.6353649D+01 1.2791656D+01
 6.2571624D+00 2.9759757D+00 1.3499838D+00 5.6853097D-01 2.1117426D-01
 -0.0004102
 -0.0035879
 -0.0178660
 -0.0583917
 -0.1472355
 -0.2630284
 -0.3399078
 -0.3193889
 -0.2119487
 -0.0803619
*
End

*
/Sm.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.16e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Sm(7K)
*
 16.000000            3

* S-type functions
   14    2
   938432.8291000000
    90896.9222100000
    14473.4648000000
     3120.3136190000
      837.4194356000
      131.8893454000
       75.3693890300
       15.4672772100
        3.0927311710
        0.9870039470
        0.6630358603
        0.2823943122
        0.0631464968
        0.0252756850
     -0.000238552850  0.000064878362
     -0.001053153500  0.000286420290
     -0.004003292300  0.001088865800
     -0.013475474000  0.003665366200
     -0.029670799000  0.008074957800
      0.054711656000 -0.014978810000
      0.147290270000 -0.040223825000
     -0.549691870000  0.153525440000
      1.011524900000 -0.309937450000
      0.336902120000 -0.123787320000
     -1.114895400000  0.467823530000
     -0.461350280000  0.352243640000
     -0.009277800000 -0.687508890000
      0.002008328300 -0.526857480000
* P-type functions
   10    1
     2862.3599170000
      590.7215662000
      173.2767701000
       24.8207456400
        9.6707312700
        7.0539772810
        3.1490073830
        0.7413093402
        0.3441749918
        0.1435357920
     -0.003320495800
     -0.020603293000
     -0.056748466000
      0.187953450000
      0.204887840000
     -0.321928780000
     -0.396548810000
      0.535948970000
      0.512003020000
      0.110204190000
* D-type functions
    9    1
      342.5568565000
       97.5305105000
       34.6488742500
        6.2800575310
        3.1176714340
        0.7203373223
        0.3084183893
        0.1262966648
        0.0487954743
      0.005305212800
      0.030424182000
      0.064009090000
     -0.128110390000
     -0.131857800000
      0.280718180000
      0.455480840000
      0.367228230000
      0.109538860000
* F-type functions
    8    1
      127.7825677000
       43.2353991800
       17.3963588300
        7.6585300020
        3.4625543530
        1.5585503700
        0.6705476756
        0.2597069881
      0.006139615800
      0.040835585000
      0.139645500000
      0.284235230000
      0.364975560000
      0.322784570000
      0.193568180000
      0.060982619000
*
* Core AIMP:Sm DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    524578.910
    106213.991
    31160.3951
    10306.1844
    3712.17375
    1377.63356
    518.618139
    231.542348
    78.6989587
    39.0751858
    7.14147320
    3.90831550
    1.94724950

   .031108187426
   .029432423440
   .048966664663
   .077508945445
   .108058330513
   .133058491745
   .233605396226
   .308368186944
   .251055416686
   .706141706353
   .598169745585
   .320185516878
   .029340988096
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    3460.152400     574.407660     129.922026      27.866642
    .431969250E+11
    .447713010E+10
    749361510.
    158193620.
    39323465.0
    11055882.0
    3396865.50
    1125756.50
    393875.580
    145190.580
    55844.2870
    22172.9780
    9045.91480
    3784.81550
    1625.66850
    717.263450
    326.440520
    135.722620
    62.1865960
    24.5350980
    12.7004610
    4.93684240
    2.47388390
    .716136970
    .328573890
    .557711430E-01
    .232967310E-01
   .000003722432  -.000001343066   .000000620204   .000000296555
   .000014228908  -.000005128800   .000002367780   .000001132175
   .000042615133  -.000015346837   .000007085261   .000003387611
   .000113275609  -.000040789722   .000018827676   .000009002460
   .000271020548  -.000097556220   .000045039205   .000021533466
   .000609253516  -.000219538958   .000101336329   .000048456738
   .001302111592  -.000469431796   .000216811168   .000103658840
   .002695393983  -.000975376941   .000450396876   .000215419740
   .005487759565  -.001990685781   .000920677573   .000440215620
   .010969431930  -.004020595362   .001858997785   .000889724100
   .022124844858  -.008173303323   .003794309370   .001814816299
   .045108291710  -.017123401839   .007950585938   .003811361998
   .092412779407  -.036097434660   .016930574867   .008110066596
   .180888228839  -.076578075279   .036108375716   .017388163992
   .304103058048  -.144718218638   .070342351448   .033919603984
   .341637657807  -.212240568002   .106261449165   .052059557975
   .171351978900  -.070082867340   .036187668716   .017112286992
   .017443666888   .469889695578  -.373975887063  -.200601199905
  -.001677623789   .592706674422  -.629134695059  -.376116639823
   .000728970095   .113407838933   .384149706983   .350190319835
  -.000494053557  -.020510487807   .862350583227  1.026118299516
   .000233807528   .007361344131   .129214868985  -.523364369753
  -.000115494259  -.003651260966  -.018707122853  -.911499439570
   .000039173743   .001172228789   .004897506262  -.065617080969
  -.000019151989  -.000557882815  -.002304482682   .015066795993
   .000004821775   .000141189489   .000552072426  -.003028449099
  -.000002313411  -.000067705052  -.000264247938   .001413370099
   23    3
     512.571880     110.113530      21.129742
    51759466.0
    7383253.30
    1526052.50
    388773.950
    115086.250
    38427.1600
    14211.2500
    5731.11730
    2483.96630
    1142.68570
    552.749770
    278.657910
    145.268620
    77.5940270
    41.8991010
    22.7211560
    12.4348960
    6.64958690
    3.48237970
    1.79213020
    .812514560
    .365969790
    .152134750
   .000004478658  -.000002187136  -.000001027811
   .000014941066  -.000007299817  -.000003430682
   .000044096558  -.000021560000  -.000010134588
   .000122671261  -.000060056290  -.000028235310
   .000336096183  -.000164824940  -.000077535749
   .000926873367  -.000455891570  -.000214519211
   .002596634119  -.001282073200  -.000604101162
   .007363755255  -.003660625801  -.001726107807
   .020673380154  -.010387033002  -.004913924920
   .054969416411  -.028179501006  -.013375122054
   .129058940964  -.068370401014  -.032735121132
   .245216921832  -.136268080028  -.065855806265
   .336581602514  -.195979770040  -.096200062388
   .277038192069  -.123748570025  -.053836309217
   .106693290797   .177101020036   .127380590513
   .012344591092   .496055470101   .376183411516
   .000655005865   .379864960077   .260074241048
  -.000272921972   .090200404018  -.337549621361
   .000023120535   .004436771501  -.621247122504
  -.000056525117   .000772977710  -.268485611082
   .000019069934  -.000161689620  -.023201926094
  -.000007251710   .000047281966   .000317200431
   .000001969068  -.000012226319  -.000087201488
   15    2
      82.946546      11.366529
    7998.06630
    2297.59890
    1190.63400
    593.437740
    262.299010
    120.939920
    58.6127570
    29.1867340
    14.8251060
    7.43934650
    3.62300350
    1.69628020
    .690921970
    .256966340
    .852390710E-01
   .000133871770  -.000062550471
   .000756674632  -.000358980139
   .001561857304  -.000725925158
   .008906254223  -.004242219187
   .038961982099  -.018558834945
   .123915520316  -.060474298821
   .273973010699  -.133625679605
   .390982480998  -.182580439461
   .294374190751  -.046711267862
   .085850370219   .314907359070
   .005474906114   .507724188500
   .000462859451   .286645909153
  -.000076198654   .041179254878
   .000056686636  -.001056398397
  -.000001392567   .000540647908
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Sm.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 4.1998563D+10 4.5941055D+09 7.5303931D+08 1.5776780D+08 3.9364524D+07
 1.1131390D+07 3.4234974D+06 1.1274699D+06 3.9382672D+05 1.4565122D+05
 5.6081151D+04 2.2223641D+04 9.0709666D+03 3.8006495D+03 1.6301057D+03
 7.1903282D+02 3.2762992D+02 1.3574405D+02 6.2190130D+01 2.4514689D+01
 1.2662047D+01 4.8593173D+00 2.4220756D+00 6.7732450D-01 3.0935797D-01
 5.2779368D-02 2.2246041D-02
  0.0000037 -0.0000013  0.0000006  0.0000003  0.0000001  0.0000000
  0.0000139 -0.0000050  0.0000023  0.0000011  0.0000004 -0.0000001
  0.0000430 -0.0000155  0.0000071  0.0000034  0.0000013 -0.0000003
  0.0001134 -0.0000409  0.0000189  0.0000090  0.0000035 -0.0000009
  0.0002697 -0.0000971  0.0000448  0.0000214  0.0000083 -0.0000022
  0.0006039 -0.0002176  0.0001004  0.0000479  0.0000187 -0.0000048
  0.0012996 -0.0004685  0.0002164  0.0001032  0.0000402 -0.0000104
  0.0027064 -0.0009794  0.0004523  0.0002158  0.0000840 -0.0000217
  0.0054775 -0.0019869  0.0009190  0.0004383  0.0001706 -0.0000441
  0.0109079 -0.0039985  0.0018488  0.0008826  0.0003438 -0.0000888
  0.0220783 -0.0081549  0.0037859  0.0018059  0.0007028 -0.0001817
  0.0450987 -0.0171220  0.0079503  0.0038019  0.0014816 -0.0003826
  0.0919770 -0.0359146  0.0168453  0.0080468  0.0031317 -0.0008101
  0.1803802 -0.0763529  0.0360017  0.0172964  0.0067487 -0.0017421
  0.3042471 -0.1446502  0.0703036  0.0338004  0.0131696 -0.0034092
  0.3414180 -0.2121365  0.1062048  0.0519291  0.0203537 -0.0052504
  0.1722232 -0.0707182  0.0365260  0.0171619  0.0065980 -0.0017314
  0.0178199  0.4697952 -0.3739898 -0.1998849 -0.0796422  0.0207166
 -0.0018237  0.5929745 -0.6293230 -0.3757011 -0.1543250  0.0400044
  0.0008057  0.1130897  0.3868293  0.3536833  0.1603309 -0.0417914
 -0.0005372 -0.0202475  0.8631241  1.0190714  0.4871007 -0.1304046
  0.0002502  0.0071370  0.1260945 -0.5481771 -0.3815482  0.1085460
 -0.0001230 -0.0035142 -0.0187971 -0.8892722 -0.8038532  0.2330349
  0.0000413  0.0011165  0.0048923 -0.0615917  0.7024055 -0.2518423
 -0.0000206 -0.0005440 -0.0023534  0.0150156  0.6418487 -0.4223327
  0.0000054  0.0001422  0.0005854 -0.0031478  0.0213493  0.7031279
 -0.0000026 -0.0000687 -0.0002822  0.0014816 -0.0072952  0.4779751
* P-type functions
   23    4    3
 5.1833132D+07 7.3871989D+06 1.5277399D+06 3.8907912D+05 1.1515005D+05
 3.8447979D+04 1.4216709D+04 5.7322363D+03 2.4843655D+03 1.1426487D+03
 5.5273574D+02 2.7863778D+02 1.4524812D+02 7.7646235D+01 4.1975876D+01
 2.2717827D+01 1.2413124D+01 6.6771692D+00 3.4902043D+00 1.7886776D+00
 8.0913759D-01 3.6603668D-01 1.5134571D-01
  0.0000045 -0.0000022 -0.0000010 -0.0000004
  0.0000149 -0.0000073 -0.0000034 -0.0000012
  0.0000441 -0.0000215 -0.0000101 -0.0000035
  0.0001226 -0.0000600 -0.0000281 -0.0000098
  0.0003360 -0.0001648 -0.0000772 -0.0000270
  0.0009264 -0.0004557 -0.0002137 -0.0000745
  0.0025964 -0.0012820 -0.0006019 -0.0002102
  0.0073627 -0.0036605 -0.0017201 -0.0005994
  0.0206736 -0.0103873 -0.0048964 -0.0017125
  0.0549858 -0.0281919 -0.0133349 -0.0046506
  0.1290557 -0.0683693 -0.0326154 -0.0114419
  0.2453214 -0.1363556 -0.0656741 -0.0229589
  0.3364674 -0.1958857 -0.0957865 -0.0338754
  0.2766236 -0.1238271 -0.0537856 -0.0179841
  0.1069990  0.1765586  0.1266946  0.0467722
  0.0124608  0.4980584  0.3756494  0.1464053
  0.0006281  0.3786492  0.2591644  0.0900362
 -0.0002614  0.0893977 -0.3328575 -0.1659142
  0.0000201  0.0052748 -0.6187449 -0.3542127
 -0.0000557  0.0005354 -0.2748031 -0.0990130
  0.0000183 -0.0000418 -0.0247763  0.4582446
 -0.0000072  0.0000070  0.0001870  0.5752259
  0.0000019 -0.0000001 -0.0000846  0.1598422
* D-type functions
   15    2    2
 1.2216870D+04 3.3156361D+03 1.2193760D+03 5.2294735D+02 2.4725139D+02
 1.2415130D+02 6.4980980D+01 3.4756012D+01 1.8924652D+01 1.0328493D+01
 5.5671676D+00 2.9537767D+00 1.5212792D+00 7.4548492D-01 3.6712920D-01
  0.0000646 -0.0000301
  0.0004560 -0.0002132
  0.0024977 -0.0011683
  0.0110077 -0.0051917
  0.0384793 -0.0182631
  0.1064272 -0.0514817
  0.2231274 -0.1085098
  0.3345912 -0.1583999
  0.3193997 -0.1150381
  0.1564874  0.1184096
  0.0307910  0.3799736
  0.0019152  0.4145429
  0.0001875  0.2106593
  0.0000241  0.0401805
  0.0000081  0.0028098
* F-type functions
   10    1    0
 3.7773288D+02 1.3012154D+02 5.6174664D+01 2.6353745D+01 1.2809689D+01
 6.2713685D+00 2.9770012D+00 1.3504876D+00 5.6805858D-01 2.1060250D-01
 -0.0004760
 -0.0041005
 -0.0199197
 -0.0646210
 -0.1582991
 -0.2742172
 -0.3425427
 -0.3091745
 -0.1977897
 -0.0695974
*
End

*
/Eu.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.17e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Eu(10D)
*
 17.000000            3

* S-type functions
   14    2
   842151.7534000000
    89422.0473300000
    14493.0161400000
     3141.7890820000
      854.6763371000
      140.6929399000
       78.1827197200
       16.2700770300
        3.1760624360
        0.8090381514
        0.6356293512
        0.2533006321
        0.0532466776
        0.0224077645
     -0.000256596340  0.000066746104
     -0.001065825100  0.000277249250
     -0.004049438600  0.001053417400
     -0.013371896000  0.003479066700
     -0.028487337000  0.007414434200
      0.051409989000 -0.013441673000
      0.145354810000 -0.038016150000
     -0.526125040000  0.140594190000
      0.981528670000 -0.287314000000
      0.453289170000 -0.129729230000
     -1.287922000000  0.467751670000
     -0.407900860000  0.313613270000
     -0.009616281700 -0.687182250000
     -0.001968792700 -0.502315600000
* P-type functions
   10    1
     2991.6469770000
      617.7136911000
      181.0168197000
       25.6806958400
       10.3410592000
        6.6999484670
        3.1748547860
        0.7520735463
        0.3402918481
        0.1417399979
     -0.003164118800
     -0.019480229000
     -0.054080278000
      0.181646180000
      0.130803020000
     -0.269350730000
     -0.350418550000
      0.499653810000
      0.523181270000
      0.135130840000
* D-type functions
    9    1
      331.8679122000
       95.4582346100
       34.6400421700
        7.2118508160
        3.5976656910
        0.7387214593
        0.3604196690
        0.1653505185
        0.0535872172
      0.004175667200
      0.022612961000
      0.043569292000
     -0.068225223000
     -0.110027560000
      0.160051300000
      0.232810560000
      0.402835590000
      0.464097690000
* F-type functions
    8    1
      136.4442580000
       46.1819007000
       18.6250112300
        8.1994770080
        3.6676820850
        1.6044944590
        0.6546341566
        0.2314353164
      0.005727975900
      0.038567399000
      0.132642680000
      0.273994810000
      0.361215330000
      0.333085970000
      0.214969360000
      0.083465202000
*
* Core AIMP:Eu DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    497300.990
    103755.745
    31101.3855
    10441.9058
    3796.30843
    1413.02454
    534.492749
    240.034284
    81.8166732
    40.7495911
    7.47312066
    4.05762804
    1.98516280

   .030513622716
   .028094924706
   .046413260026
   .073009611126
   .101504840368
   .125607422079
   .220243831339
   .288252319514
   .236360773528
   .663745088410
   .560828722079
   .303345997811
   .027961939240
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    3584.067600     597.052260     134.871594      28.269132
    .460451720E+11
    .448501720E+10
    747161430.
    159546230.
    40057315.0
    11199137.0
    3420574.60
    1124291.30
    393695.580
    145292.720
    55888.7640
    22195.6970
    9053.27730
    3788.04230
    1627.10180
    719.149330
    327.971240
    138.910510
    63.9318390
    25.2587440
    13.0757960
    5.05752310
    2.50583490
    .694280410
    .299498270
    .421338630E-01
    .180859600E-01
   .000003894904  -.000001411570   .000000653720   .000000312594
   .000015433247  -.000005587141   .000002586784   .000001236956
   .000045475262  -.000016447611   .000007615247   .000003641129
   .000118865610  -.000042985261   .000019897697   .000009514589
   .000284791671  -.000102952930   .000047666907   .000022790419
   .000644361822  -.000233167071   .000107933380   .000051614171
   .001383559305  -.000500969542   .000232042711   .000110943529
   .002863366609  -.001040568404   .000481870342   .000230491368
   .005774684819  -.002104503007   .000976186633   .000466754215
   .011535384038  -.004246929915   .001969277207   .000942648781
   .023173698076  -.008606949030   .004008049214   .001916924381
   .047093059155  -.017970450063   .008368646829   .004013052360
   .095917789315  -.037739717133   .017763212061   .008507714815
   .186330090611  -.079503582280   .037614972128   .018126040819
   .308422651012  -.148619040523   .072591503248   .034996880650
   .337252191106  -.211626580745   .106348000363   .052204157478
   .161607880530  -.057338555202   .029163191099   .013393276866
   .015061988049   .478046381683  -.384985171313  -.206600187934
  -.001014012703   .583804672055  -.621628412120  -.373716696263
   .000342148971   .109440050385   .409454621396   .379501376205
  -.000236119981  -.019872258070   .848938092895  1.007191089928
   .000103747260   .006886508324   .120874030412  -.573816424262
  -.000046433355  -.003292994612  -.017018591058  -.875148181249
   .000014219034   .000964343413   .004116021714  -.055680721443
  -.000006622771  -.000431793862  -.001809676406   .012348742877
   .000001668210   .000110083810   .000405479361  -.002752804072
  -.000000865986  -.000057231097  -.000239315841   .001261247787
   23    3
     532.140900     114.178276      21.257652
    51523334.0
    7378856.50
    1528183.50
    389111.970
    115202.540
    38450.0130
    14218.4810
    5732.30990
    2484.36290
    1142.68870
    552.735200
    278.579950
    145.308080
    77.6108700
    41.9240560
    22.7921820
    12.4779210
    6.65027820
    3.48860580
    1.79369800
    .817923690
    .361912960
    .151142200
   .000004831024  -.000002368206  -.000001112529
   .000016038960  -.000007866254  -.000003695662
   .000047304010  -.000023217313  -.000010910085
   .000131488870  -.000064625188  -.000030373853
   .000359758780  -.000177126351  -.000083297847
   .000990509901  -.000489191042  -.000230124360
   .002769735603  -.001373245005  -.000646916669
   .007831217908  -.003910551413  -.001843587497
   .021910743022  -.011061154038  -.005232606793
   .057932898057  -.029864273102  -.014175512980
   .134915060132  -.071914155246  -.034444851952
   .252720140248  -.141460240483  -.068404598905
   .338588180332  -.197849950676  -.097118224866
   .268588550264  -.112248400384  -.046920292935
   .097284322096   .201958810690   .143858689801
   .010336776010   .504544541724   .387093149464
   .000520164261   .359514521229   .227489199685
  -.000231196740   .078347531268  -.374309449482
   .000004349368   .003412565612  -.605803199161
  -.000041576378   .000778097783  -.246669539658
   .000012981932  -.000149366221  -.020710992971
  -.000004791144   .000048004276  -.000075263737
   .000001376636  -.000013610361  -.000097035760
   15    2
      86.124358      11.185920
    14062.7570
    3847.40270
    1595.30510
    645.843700
    276.364800
    131.426850
    66.9574110
    34.2957260
    17.3425910
    8.48915470
    4.02045220
    1.80089000
    .667246950
    .202841710
    .562346270E-01
   .000058732341  -.000027409270
   .000333729679  -.000157756219
   .001558248996  -.000729337194
   .009056036378  -.004300427266
   .037866791909  -.018028540859
   .109217569737  -.053255617582
   .236364679430  -.115287749095
   .374873769096  -.178527478599
   .335210599191  -.089493477298
   .112342419729   .278453257815
   .007333031382   .529594225844
   .000812904568   .317360237510
  -.000125156060   .042035148670
   .000067585044  -.001470546688
  -.000007952140   .000570270326
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Eu.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 4.1753920D+10 4.3317072D+09 7.2947825D+08 1.5829665D+08 3.9990152D+07
 1.1163095D+07 3.4372229D+06 1.1363016D+06 3.9560522D+05 1.4645177D+05
 5.6443635D+04 2.2455761D+04 9.1658731D+03 3.8161544D+03 1.6309487D+03
 7.1913229D+02 3.2790922D+02 1.3955141D+02 6.4324029D+01 2.5733026D+01
 1.3290671D+01 5.1892966D+00 2.5674576D+00 6.9145127D-01 3.1445469D-01
 5.4105050D-02 2.2436888D-02
  0.0000041 -0.0000015  0.0000007  0.0000003  0.0000001  0.0000000
  0.0000156 -0.0000057  0.0000026  0.0000013  0.0000005  0.0000001
  0.0000459 -0.0000166  0.0000077  0.0000037  0.0000014  0.0000004
  0.0001184 -0.0000428  0.0000198  0.0000095  0.0000037  0.0000009
  0.0002853 -0.0001031  0.0000478  0.0000228  0.0000089  0.0000023
  0.0006449 -0.0002334  0.0001080  0.0000517  0.0000200  0.0000051
  0.0013645 -0.0004941  0.0002288  0.0001094  0.0000424  0.0000109
  0.0028508 -0.0010359  0.0004797  0.0002295  0.0000890  0.0000228
  0.0057661 -0.0021015  0.0009747  0.0004660  0.0001807  0.0000462
  0.0114135 -0.0042013  0.0019483  0.0009325  0.0003617  0.0000925
  0.0229817 -0.0085358  0.0039741  0.0019008  0.0007368  0.0001886
  0.0465071 -0.0177359  0.0082613  0.0039605  0.0015372  0.0003931
  0.0952133 -0.0374517  0.0176190  0.0084404  0.0032721  0.0008381
  0.1866076 -0.0795076  0.0376335  0.0181258  0.0070433  0.0018006
  0.3094405 -0.1491650  0.0727952  0.0351134  0.0136305  0.0034936
  0.3377736 -0.2116012  0.1064762  0.0522105  0.0203793  0.0052061
  0.1613453 -0.0582072  0.0293569  0.0136128  0.0051898  0.0013532
  0.0151237  0.4740948 -0.3801606 -0.2042072 -0.0811159 -0.0208902
 -0.0009825  0.5852215 -0.6252697 -0.3748154 -0.1533344 -0.0393646
  0.0003338  0.1119259  0.3830453  0.3507101  0.1580676  0.0408228
 -0.0002307 -0.0189232  0.8658530  1.0276739  0.4898945  0.1297093
  0.0001009  0.0065797  0.1291282 -0.5214607 -0.3624611 -0.1016817
 -0.0000444 -0.0031089 -0.0172246 -0.9156653 -0.8118517 -0.2328808
  0.0000144  0.0009556  0.0044194 -0.0649418  0.7183073  0.2566840
 -0.0000074 -0.0004743 -0.0021735  0.0171968  0.6184480  0.4094119
  0.0000019  0.0001252  0.0005467 -0.0036987  0.0189202 -0.7073835
 -0.0000009 -0.0000597 -0.0002603  0.0017238 -0.0062212 -0.4740385
* P-type functions
   23    4    3
 5.2080119D+07 7.4269735D+06 1.5337467D+06 3.9030835D+05 1.1541793D+05
 3.8522264D+04 1.4239528D+04 5.7385665D+03 2.4851756D+03 1.1427122D+03
 5.5265847D+02 2.7857730D+02 1.4526948D+02 7.7631138D+01 4.1915706D+01
 2.2844802D+01 1.2537810D+01 6.6693163D+00 3.4870357D+00 1.7790295D+00
 8.2039295D-01 3.7091560D-01 1.5381136D-01
  0.0000048 -0.0000024 -0.0000011 -0.0000004
  0.0000160 -0.0000078 -0.0000037 -0.0000013
  0.0000472 -0.0000232 -0.0000109 -0.0000038
  0.0001313 -0.0000645 -0.0000303 -0.0000105
  0.0003592 -0.0001769 -0.0000832 -0.0000288
  0.0009888 -0.0004883 -0.0002297 -0.0000795
  0.0027654 -0.0013711 -0.0006458 -0.0002240
  0.0078278 -0.0039086 -0.0018422 -0.0006378
  0.0219120 -0.0110626 -0.0052324 -0.0018170
  0.0579601 -0.0298761 -0.0141775 -0.0049131
  0.1349026 -0.0719165 -0.0344408 -0.0119955
  0.2527871 -0.1414753 -0.0683915 -0.0237649
  0.3385941 -0.1979346 -0.0971575 -0.0340944
  0.2683562 -0.1119130 -0.0466971 -0.0153572
  0.0975523  0.2012170  0.1432979  0.0527800
  0.0100997  0.5018404  0.3849173  0.1489894
  0.0007059  0.3611783  0.2298287  0.0770926
 -0.0003304  0.0801060 -0.3720436 -0.1849192
  0.0000590  0.0031071 -0.6106745 -0.3486783
 -0.0000688  0.0009306 -0.2449196 -0.0708456
  0.0000252 -0.0002236 -0.0195226  0.4680414
 -0.0000098  0.0000789 -0.0004597  0.5633384
  0.0000025 -0.0000187  0.0000701  0.1539485
* D-type functions
   15    2    2
 2.3454048D+04 5.3074341D+03 1.6819736D+03 6.4736034D+02 2.8282798D+02
 1.3385854D+02 6.6865751D+01 3.4395987D+01 1.8106742D+01 9.5219755D+00
 4.9157870D+00 2.4845815D+00 1.1876889D+00 4.4422386D-01 3.1169105D-01
  0.0000268 -0.0000125
  0.0002432 -0.0001144
  0.0016648 -0.0007813
  0.0088590 -0.0041981
  0.0358349 -0.0170675
  0.1092032 -0.0531051
  0.2413546 -0.1179386
  0.3615515 -0.1714348
  0.3188445 -0.0974864
  0.1292122  0.1930447
  0.0171401  0.4467922
  0.0009379  0.3844440
  0.0000417  0.1341823
  0.0000710  0.0123724
 -0.0000326 -0.0018503
* F-type functions
   10    1    0
 3.8360428D+02 1.3179513D+02 5.6259741D+01 2.6332277D+01 1.2927491D+01
 6.4360919D+00 3.1366325D+00 1.4670690D+00 6.3278294D-01 2.3742282D-01
 -0.0005192
 -0.0045610
 -0.0223727
 -0.0706279
 -0.1652979
 -0.2727642
 -0.3304033
 -0.2993032
 -0.1979628
 -0.0736616
*
End

*
/Gd.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.18e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Gd(9D)
*
 18.000000            3

* S-type functions
   14    2
   906061.9065000000
    92373.7288900000
    15190.7149900000
     3339.8241290000
      907.0351501000
      139.0546094000
       80.3737040200
       16.9241707100
        3.3598042570
        0.8947023875
        0.7230080160
        0.3010403643
        0.0656210791
        0.0258576937
     -0.000271227650  0.000072925754
     -0.001136603500  0.000305598910
     -0.004164285300  0.001119776100
     -0.013560010000  0.003646376600
     -0.029380688000  0.007905015900
      0.060841101000 -0.016469252000
      0.141957450000 -0.038311173000
     -0.547164140000  0.150948210000
      1.014616600000 -0.306309980000
      0.632288520000 -0.248432410000
     -1.434904800000  0.598286520000
     -0.445427690000  0.336157220000
     -0.011161109000 -0.704342950000
      0.002828809800 -0.504771420000
* P-type functions
   10    1
     3173.2074020000
      649.2251136000
      189.2063352000
       26.6962036800
       10.0386808300
        7.5131660120
        3.3779907730
        0.8170357032
        0.3758401955
        0.1513442912
     -0.003266365700
     -0.020207521000
     -0.056745893000
      0.191427860000
      0.213071380000
     -0.347555830000
     -0.379266230000
      0.511605470000
      0.534319630000
      0.114250750000
* D-type functions
    9    1
      371.7836640000
      106.3560687000
       37.9477097800
        6.9171678340
        3.4166309420
        0.7820019840
        0.3298959530
        0.1386283793
        0.0567002327
      0.004964785500
      0.028348939000
      0.060184320000
     -0.118754360000
     -0.123417360000
      0.259463730000
      0.435607130000
      0.365908170000
      0.163375260000
* F-type functions
    8    1
      157.7521807000
       53.5418307500
       21.7909647800
        9.7034856800
        4.4307682120
        1.9984395440
        0.8542883878
        0.3254096571
      0.004850759100
      0.034015434000
      0.120929190000
      0.262241560000
      0.359120430000
      0.339352810000
      0.216147720000
      0.073262279000
*
* Core AIMP:Gd DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    517186.719
    107142.350
    31959.7722
    10689.0156
    3875.06607
    1442.58980
    550.023706
    248.599554
    85.2575900
    42.6346752
    7.77906294
    4.21705781
    2.08354339

   .028939578601
   .026814882051
   .044345005996
   .069746740303
   .096527738026
   .118992726438
   .208329372350
   .270384564634
   .221049903324
   .628098267635
   .542117920204
   .276781282777
   .023427573216
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    3711.922200     621.684200     141.522714      30.197702
    .370017210E+11
    .442333740E+10
    736627460.
    157466940.
    39988049.0
    11295642.0
    3442911.20
    1134401.60
    396957.840
    146564.470
    56594.5240
    22562.0530
    9206.73320
    3830.10310
    1630.51860
    716.197400
    325.137030
    141.138360
    65.4025960
    26.4243890
    13.6711690
    5.37568620
    2.67915040
    .768147410
    .353949830
    .628750560E-01
    .255543190E-01
   .000004554243  -.000001657669   .000000769777   .000000369780
   .000016091369  -.000005850273   .000002715945   .000001304680
   .000049476549  -.000017971817   .000008343405   .000004007625
   .000127202291  -.000046193497   .000021440579   .000010299375
   .000300030332  -.000108924031   .000050567140   .000024288173
   .000679073613  -.000246749561   .000114530019   .000055019684
   .001459357307  -.000530704733   .000246474858   .000118386322
   .003001578415  -.001095315306   .000508611837   .000244395775
   .006060647531  -.002218951412   .001032037294   .000495743689
   .012016092061  -.004442650023   .002065853487   .000993392509
   .023935055122  -.008936911647   .004173039975   .002005186738
   .048363931247  -.018537910097   .008658888047   .004171110879
   .098465585503  -.039002486204   .018408762888   .008859535068
   .192173160982  -.082489334431   .039170458761   .018961375360
   .315592061612  -.154093580805   .075548085539   .036615245694
   .334774301710  -.211907781107   .107052019347   .052813740002
   .149620120764  -.040738450213   .019361230882   .008458869060
   .011685038060   .489850762559  -.398830767566  -.215714544091
  -.000094915495   .568616632971  -.611475476269  -.370800747032
  -.000175670361   .104290520545   .415760857463   .386390697328
   .000097906722  -.017181259090   .845728344839  1.012853019208
  -.000055723037   .006020161631   .124689859239  -.550164080434
   .000033727448  -.002928946315  -.017307784894  -.896312476998
  -.000011723754   .000939032115   .004630861272  -.064143437216
   .000005636001  -.000454487402  -.002225197186   .015375084292
  -.000001456199   .000115405851   .000536157067  -.003119634859
   .000000674550  -.000053425791  -.000247818918   .001404224627
   23    3
     553.528780     119.898112      22.857284
    52152768.0
    7440218.20
    1535484.40
    390559.570
    115469.690
    38541.3830
    14246.6720
    5740.20120
    2485.27940
    1142.78990
    552.630760
    278.519800
    145.309260
    77.6429810
    41.8860770
    22.8809710
    12.5548620
    6.66949590
    3.48098420
    1.76614860
    .817302090
    .370810540
    .151355260
   .000005151546  -.000002534338  -.000001197378
   .000017163275  -.000008447808  -.000003991619
   .000050617539  -.000024933452  -.000011783490
   .000140625890  -.000069368018  -.000032791025
   .000384246739  -.000189890740  -.000089810867
   .001055599898  -.000523315811  -.000247618312
   .002945803394  -.001466390704  -.000694753406
   .008317858982  -.004170758610  -.001978060317
   .023196600951  -.011764766028  -.005598040649
   .061006692870  -.031611225076  -.015099638133
   .140830579700  -.075526086182  -.036400176322
   .260087239447  -.146547790353  -.071360894631
   .339972139277  -.199278970481  -.098336732869
   .259693199448  -.099325703240  -.039519209349
   .088816417811   .226395770546   .161814681430
   .008217903583   .508531871226   .396494513503
   .000646265989   .339797670820   .197592141746
  -.000334856589   .068986662166  -.414423033662
   .000060935034   .002446492206  -.602513575324
  -.000063795920   .000745561162  -.212368991877
   .000024670506  -.000193227110  -.013385647118
  -.000009257502   .000061298769  -.000667535276
   .000002389898  -.000014903993   .000157019741
   15    2
      90.910870      12.381875
    19762.5440
    4952.93960
    1693.28150
    698.387120
    305.483760
    140.534920
    67.8609050
    33.7083720
    17.1232500
    8.61408110
    4.19848780
    1.95085180
    .780584490
    .281673610
    .905590370E-01
   .000035516533  -.000016740325
   .000284578752  -.000135636609
   .001625267112  -.000769209565
   .007970776061  -.003825283275
   .034450699264  -.016559630892
   .112752850863  -.055487671638
   .260362521992  -.128478829161
   .388508372972  -.185068228791
   .311225332381  -.067811160557
   .099096490758   .288845158113
   .007480344457   .511371076660
   .000579686584   .311691247964
  -.000055404141   .047270009691
   .000052808097  -.001330573691
  -.000001573700   .000664091196
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Gd.DK3.Tsuchiya.27s23p15d10f.6s4p3d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 3.7001721D+10 4.4233374D+09 7.3662746D+08 1.5746694D+08 3.9988049D+07
 1.1295642D+07 3.4429112D+06 1.1344016D+06 3.9695784D+05 1.4656447D+05
 5.6594524D+04 2.2562053D+04 9.2067332D+03 3.8301031D+03 1.6305186D+03
 7.1619740D+02 3.2513703D+02 1.4113836D+02 6.5402596D+01 2.6424389D+01
 1.3671169D+01 5.3756862D+00 2.6791504D+00 7.6814741D-01 3.5394983D-01
 6.2875056D-02 2.5554319D-02
  0.0000046 -0.0000017  0.0000008  0.0000004  0.0000001  0.0000000
  0.0000161 -0.0000059  0.0000027  0.0000013  0.0000005  0.0000001
  0.0000495 -0.0000180  0.0000083  0.0000040  0.0000016  0.0000004
  0.0001272 -0.0000462  0.0000214  0.0000103  0.0000041  0.0000011
  0.0003000 -0.0001089  0.0000506  0.0000243  0.0000096  0.0000026
  0.0006791 -0.0002467  0.0001145  0.0000550  0.0000218  0.0000058
  0.0014594 -0.0005307  0.0002465  0.0001184  0.0000469  0.0000126
  0.0030016 -0.0010953  0.0005086  0.0002444  0.0000968  0.0000260
  0.0060606 -0.0022190  0.0010320  0.0004957  0.0001962  0.0000527
  0.0120161 -0.0044427  0.0020659  0.0009934  0.0003934  0.0001056
  0.0239351 -0.0089369  0.0041730  0.0020052  0.0007936  0.0002132
  0.0483639 -0.0185379  0.0086589  0.0041711  0.0016530  0.0004437
  0.0984656 -0.0390025  0.0184088  0.0088595  0.0035067  0.0009423
  0.1921732 -0.0824893  0.0391705  0.0189614  0.0075239  0.0020196
  0.3155921 -0.1540936  0.0755481  0.0366152  0.0145113  0.0039013
  0.3347743 -0.2119078  0.1070520  0.0528137  0.0210620  0.0056531
  0.1496201 -0.0407384  0.0193612  0.0084589  0.0032009  0.0008725
  0.0116850  0.4898508 -0.3988308 -0.2157145 -0.0875186 -0.0236261
 -0.0000949  0.5686166 -0.6114755 -0.3708007 -0.1553609 -0.0419667
 -0.0001757  0.1042905  0.4157609  0.3863907  0.1788164  0.0488376
  0.0000979 -0.0171813  0.8457283  1.0128530  0.4942229  0.1372001
 -0.0000557  0.0060202  0.1246899 -0.5501639 -0.3898483 -0.1141988
  0.0000337 -0.0029289 -0.0173078 -0.8963124 -0.8317035 -0.2551241
 -0.0000117  0.0009390  0.0046309 -0.0641435  0.7073324  0.2783621
  0.0000056 -0.0004545 -0.0022252  0.0153750  0.6501453  0.4263774
 -0.0000015  0.0001154  0.0005362 -0.0031197  0.0222235 -0.7087876
  0.0000007 -0.0000534 -0.0002478  0.0014043 -0.0069671 -0.4814360
* P-type functions
   23    4    3
 5.2152768D+07 7.4402182D+06 1.5354844D+06 3.9055957D+05 1.1546969D+05
 3.8541383D+04 1.4246672D+04 5.7402012D+03 2.4852794D+03 1.1427899D+03
 5.5263076D+02 2.7851980D+02 1.4530926D+02 7.7642981D+01 4.1886077D+01
 2.2880971D+01 1.2554862D+01 6.6694959D+00 3.4809842D+00 1.7661486D+00
 8.1730209D-01 3.7081054D-01 1.5135526D-01
  0.0000052 -0.0000025 -0.0000012 -0.0000004
  0.0000172 -0.0000084 -0.0000040 -0.0000014
  0.0000506 -0.0000249 -0.0000118 -0.0000042
  0.0001406 -0.0000694 -0.0000328 -0.0000117
  0.0003842 -0.0001899 -0.0000898 -0.0000321
  0.0010556 -0.0005233 -0.0002476 -0.0000883
  0.0029458 -0.0014664 -0.0006948 -0.0002482
  0.0083179 -0.0041708 -0.0019781 -0.0007056
  0.0231966 -0.0117648 -0.0055980 -0.0020028
  0.0610067 -0.0316112 -0.0150996 -0.0053916
  0.1408306 -0.0755261 -0.0364002 -0.0130640
  0.2600872 -0.1465478 -0.0713609 -0.0255540
  0.3399721 -0.1992790 -0.0983367 -0.0355625
  0.2596932 -0.0993257 -0.0395192 -0.0131030
  0.0888164  0.2263958  0.1618147  0.0615723
  0.0082179  0.5085319  0.3964945  0.1587494
  0.0006463  0.3397977  0.1975921  0.0644179
 -0.0003349  0.0689867 -0.4144230 -0.2123694
  0.0000609  0.0024465 -0.6025136 -0.3649169
 -0.0000638  0.0007456 -0.2123690 -0.0238145
  0.0000247 -0.0001932 -0.0133856  0.5316629
 -0.0000093  0.0000613 -0.0006675  0.5256148
  0.0000024 -0.0000149  0.0001570  0.1105104
* D-type functions
   15    3    2
 1.9762544D+04 4.9529396D+03 1.6932815D+03 6.9838712D+02 3.0548376D+02
 1.4053492D+02 6.7860905D+01 3.3708372D+01 1.7123250D+01 8.6140811D+00
 4.1984878D+00 1.9508518D+00 7.8058449D-01 2.8167361D-01 9.0559037D-02
  0.0000355 -0.0000167  0.0000039
  0.0002846 -0.0001356  0.0000321
  0.0016253 -0.0007692  0.0001807
  0.0079708 -0.0038253  0.0009064
  0.0344507 -0.0165596  0.0039034
  0.1127529 -0.0554877  0.0131862
  0.2603625 -0.1284788  0.0303813
  0.3885084 -0.1850682  0.0439162
  0.3112253 -0.0678112  0.0115457
  0.0990965  0.2888452 -0.0826972
  0.0074803  0.5113711 -0.1463889
  0.0005797  0.3116912 -0.0331038
 -0.0000554  0.0472700  0.2990590
  0.0000528 -0.0013306  0.5426581
 -0.0000016  0.0006641  0.3791899
* F-type functions
   10    1    0
 3.8357372D+02 1.3168830D+02 5.6216693D+01 2.6307294D+01 1.2948024D+01
 6.4445078D+00 3.1334851D+00 1.4695379D+00 6.5277113D-01 2.6165607D-01
 -0.0006113
 -0.0053383
 -0.0258038
 -0.0801640
 -0.1825816
 -0.2926782
 -0.3405758
 -0.2809911
 -0.1574307
 -0.0456485
*
End

*
/Tb.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.19e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Tb(8H)
*
 19.000000            3

* S-type functions
   14    2
   965456.3005000000
    96045.0697100000
    15404.2379500000
     3361.3456990000
      919.2556192000
      149.7168750000
       84.5218759000
       17.6408119400
        3.5274556040
        0.9026201898
        0.7322137453
        0.2834328917
        0.0710020234
        0.0275220387
     -0.000276740210  0.000074170164
     -0.001181973500  0.000316780420
     -0.004360381900  0.001168769600
     -0.014036184000  0.003762306500
     -0.029225025000  0.007838365600
      0.056113807000 -0.015143121000
      0.147351890000 -0.039637340000
     -0.548277150000  0.150727440000
      1.008603700000 -0.302825690000
      0.700675320000 -0.286882700000
     -1.565770000000  0.670773900000
     -0.385128100000  0.313871810000
      0.000662957290 -0.684285070000
     -0.001297864700 -0.540252010000
* P-type functions
   10    1
     3274.4049250000
      670.0180786000
      195.4376058000
       27.8848246200
       10.4818204600
        8.2629040320
        3.6238076720
        0.8325446764
        0.3850836527
        0.1585575401
     -0.003320758900
     -0.020398725000
     -0.056712930000
      0.190102700000
      0.258028740000
     -0.372770450000
     -0.390653320000
      0.522611820000
      0.516749020000
      0.115699170000
* D-type functions
    9    1
      386.8818701000
      110.8022220000
       39.6772864900
        7.1260973330
        3.4558081380
        0.8279669422
        0.3467500205
        0.1362056176
        0.0501776221
      0.004675444900
      0.026680900000
      0.056640459000
     -0.117045220000
     -0.111975660000
      0.234124410000
      0.431257480000
      0.410448770000
      0.163380230000
* F-type functions
    8    1
      163.4023525000
       55.4931283900
       22.6505245900
       10.1172394900
        4.6099160060
        2.0617772560
        0.8720626772
        0.3292569883
      0.004995758700
      0.034928775000
      0.123147590000
      0.264456920000
      0.360707560000
      0.338907270000
      0.214252230000
      0.072782701000
*
* Core AIMP:Tb DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    526076.830
    110501.472
    33358.1075
    11251.2058
    4106.17691
    1539.61649
    584.239086
    261.434935
    89.6114780
    2.18338420
    44.5898537
    8.14176942
    4.41997810

   .027687083380
   .025299498733
   .041612186068
   .065274978345
   .090301290386
   .111465122282
   .195603587101
   .260157112501
   .207011554675
   .022382204336
   .598301304280
   .513072532404
   .262884177088
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    3841.845800     646.247820     147.594730      31.449930
    .650917440E+11
    .674468170E+10
    929291610.
    174026880.
    41601317.0
    12043871.0
    3877857.40
    1269757.40
    428350.010
    153672.110
    58226.2730
    22827.7870
    9285.39080
    3911.97000
    1692.08650
    750.768200
    343.140100
    148.095890
    68.5868750
    27.6462690
    14.3137280
    5.64379730
    2.80210580
    .804859870
    .365173410
    .628644710E-01
    .264582530E-01
   .000003354433  -.000001226896   .000000571280   .000000275080
   .000014014364  -.000005118633   .000002382688   .000001147290
   .000049277269  -.000017979078   .000008368794   .000004029333
   .000135124489  -.000049282219   .000022934879   .000011043043
   .000314933328  -.000114824061   .000053445972   .000025731448
   .000655576545  -.000239228462   .000111330020   .000053608363
   .001386479990  -.000506272305   .000235739151   .000113496170
   .003012326978  -.001103619211   .000513823782   .000247472260
   .006254531455  -.002299409523   .001072143005   .000516245240
   .012459381910  -.004625716947   .002156933009   .001039561800
   .025005196820  -.009380066895   .004391070019   .002115151801
   .050643695635  -.019515529197   .009142959740   .004414523401
   .100748529273  -.040148960406   .019005595084   .009169577803
   .190863178623  -.082478813834   .039284907173   .019064696005
   .309820377765  -.151631681532   .074545152328   .036215153010
   .331723407607  -.209590052118   .106079770466   .052448480015
   .153565298892  -.045298709458   .021778969096   .009717545903
   .013442946903   .482201674873  -.392707141726  -.213010620061
  -.000555945506   .574730395809  -.618016722715  -.375220710108
   .000094068778   .108033781092   .405971651784   .380159860109
  -.000076128096  -.018179850184   .852228813745  1.021450300293
   .000028559127   .006398891765   .125973390554  -.547392750157
  -.000008955461  -.003083940031  -.016891979074  -.900290500258
   .000002852334   .000977474300   .004453946220  -.063743891018
  -.000001538821  -.000464905025  -.002096542609   .014758039004
   .000000377360   .000121784121   .000520391242  -.003089958801
  -.000000181597  -.000058549272  -.000249769251   .001446797800
   23    3
     574.695380     125.001984      23.788808
    52197004.0
    7443190.80
    1536201.20
    390674.540
    115476.050
    38541.8100
    14246.7880
    5740.35160
    2485.25710
    1142.79780
    552.642750
    278.501600
    145.319720
    77.6323450
    41.8248260
    22.9006340
    12.5661120
    6.66955430
    3.48067390
    1.76504460
    .824455740
    .371356990
    .152940410
   .000005532015  -.000002731062  -.000001293883
   .000018419484  -.000009098075  -.000004310789
   .000054250411  -.000026818054  -.000012709122
   .000150583410  -.000074547123  -.000035338325
   .000410884530  -.000203802600  -.000096656329
   .001126661099  -.000560645851  -.000266051640
   .003136798198  -.001567624303  -.000744771339
   .008830769293  -.004446264409  -.002115170897
   .024533041982  -.012499572026  -.005964837190
   .064154266952  -.033414240069  -.016014934974
   .146790079891  -.079193382164  -.038290803937
   .267288839802  -.151601160314  -.074122349878
   .340911719747  -.200203570415  -.098971191838
   .250658329814  -.085540323177  -.031397022948
   .080541494940   .252095770522   .180725749704
   .006529704495   .512381321061   .404150379337
   .000633529580   .317883110658   .161656419735
  -.000353673240   .059056912122  -.450414639261
   .000075633344   .002029098604  -.584992039040
  -.000066459695   .000607235171  -.188420679691
   .000026473917  -.000148185710  -.010939795982
  -.000009841021   .000044637059  -.000693118279
   .000002565385  -.000010646161   .000162290080
   15    2
      95.067864      12.942204
    20123.2880
    3765.72710
    1212.94570
    508.625360
    264.819190
    143.997360
    73.2664100
    36.7501670
    18.5711800
    9.25883510
    4.47804560
    2.07064800
    .826237710
    .291933840
    .906441290E-01
   .000048473049  -.000023023186
   .000550259745  -.000263115759
   .003467155632  -.001655194291
   .013842248129  -.006699151065
   .034346972320  -.016599677912
   .100122760932  -.049638432738
   .243663552269  -.120854189361
   .384327033578  -.185283429021
   .326732253042  -.083037664561
   .107788411004   .279367508523
   .008402409878   .516118147272
   .000629972176   .318957108314
  -.000043845593   .049206899740
   .000046273065  -.001329441993
  -.000004073641   .000620421527
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Tb.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 4.9360640D+10 5.9264583D+09 1.0081574D+09 2.0493014D+08 4.9630464D+07
 1.3544932D+07 4.0559339D+06 1.2986886D+06 4.3927233D+05 1.5724531D+05
 5.9168630D+04 2.3125261D+04 9.4396358D+03 4.0214097D+03 1.7590605D+03
 7.8687046D+02 3.6147966D+02 1.5176439D+02 6.9825610D+01 2.7831612D+01
 1.4399732D+01 5.5394069D+00 2.7507356D+00 7.6206539D-01 3.4217580D-01
 5.7736431D-02 2.4079136D-02
  0.0000040 -0.0000015  0.0000007  0.0000003  0.0000001  0.0000000
  0.0000138 -0.0000050  0.0000023  0.0000011  0.0000004  0.0000001
  0.0000430 -0.0000157  0.0000073  0.0000035  0.0000014  0.0000003
  0.0001171 -0.0000427  0.0000199  0.0000096  0.0000037  0.0000009
  0.0002836 -0.0001034  0.0000481  0.0000231  0.0000089  0.0000022
  0.0006467 -0.0002360  0.0001098  0.0000528  0.0000204  0.0000051
  0.0014029 -0.0005122  0.0002385  0.0001146  0.0000443  0.0000111
  0.0029710 -0.0010886  0.0005068  0.0002437  0.0000941  0.0000236
  0.0061276 -0.0022520  0.0010501  0.0005047  0.0001949  0.0000489
  0.0123258 -0.0045766  0.0021341  0.0010267  0.0003967  0.0000995
  0.0248437 -0.0093129  0.0043595  0.0020959  0.0008092  0.0002032
  0.0501374 -0.0193266  0.0090543  0.0043643  0.0016872  0.0004230
  0.0985156 -0.0391785  0.0185454  0.0089282  0.0034475  0.0008660
  0.1842781 -0.0795162  0.0378508  0.0183403  0.0070997  0.0017793
  0.3009742 -0.1456963  0.0715315  0.0346552  0.0133976  0.0033684
  0.3326395 -0.2081368  0.1050819  0.0518581  0.0201656  0.0050492
  0.1678883 -0.0628193  0.0317846  0.0147259  0.0055946  0.0014318
  0.0176505  0.4683488 -0.3783461 -0.2042459 -0.0808322 -0.0204198
 -0.0016540  0.5897696 -0.6305982 -0.3813188 -0.1554691 -0.0391189
  0.0007076  0.1138665  0.3869765  0.3649075  0.1644008  0.0415959
 -0.0004654 -0.0196199  0.8663487  1.0246950  0.4864943  0.1263374
  0.0002117  0.0068086  0.1268219 -0.5652986 -0.3939456 -0.1084172
 -0.0001017 -0.0032981 -0.0187478 -0.8798589 -0.7825348 -0.2193676
  0.0000333  0.0010235  0.0048194 -0.0595204  0.7082261  0.2432701
 -0.0000165 -0.0004933 -0.0022911  0.0144366  0.6307656  0.4073649
  0.0000043  0.0001302  0.0005776 -0.0030844  0.0204093 -0.6751971
 -0.0000021 -0.0000628 -0.0002780  0.0014512 -0.0068895 -0.4998414
* P-type functions
   23    4    3
 5.2333798D+07 7.4572061D+06 1.5378049D+06 3.9072744D+05 1.1548108D+05
 3.8572565D+04 1.4259328D+04 5.7400579D+03 2.4856897D+03 1.1429397D+03
 5.5253907D+02 2.7847833D+02 1.4529343D+02 7.7649292D+01 4.1847251D+01
 2.2928841D+01 1.2598230D+01 6.6886655D+00 3.4919036D+00 1.7678640D+00
 8.1982907D-01 3.7009424D-01 1.5285821D-01
  0.0000055 -0.0000027 -0.0000013 -0.0000004
  0.0000184 -0.0000091 -0.0000043 -0.0000015
  0.0000542 -0.0000268 -0.0000127 -0.0000044
  0.0001506 -0.0000746 -0.0000353 -0.0000121
  0.0004108 -0.0002038 -0.0000964 -0.0000331
  0.0011248 -0.0005598 -0.0002649 -0.0000910
  0.0031366 -0.0015676 -0.0007429 -0.0002555
  0.0088358 -0.0044491 -0.0021110 -0.0007252
  0.0245159 -0.0124916 -0.0059461 -0.0020474
  0.0641863 -0.0334332 -0.0159818 -0.0054962
  0.1468276 -0.0792204 -0.0382091 -0.0131968
  0.2673206 -0.1516324 -0.0739376 -0.0255072
  0.3409243 -0.2002323 -0.0987553 -0.0343398
  0.2504246 -0.0854354 -0.0312161 -0.0097127
  0.0806830  0.2516301  0.1797902  0.0660839
  0.0064708  0.5114642  0.4023571  0.1546915
  0.0006977  0.3184566  0.1622269  0.0472383
 -0.0003851  0.0598318 -0.4445489 -0.2189631
  0.0000943  0.0020122 -0.5839877 -0.3377214
 -0.0000758  0.0006850 -0.1943769 -0.0063830
  0.0000300 -0.0001595 -0.0119939  0.5019262
 -0.0000116  0.0000555 -0.0007748  0.5280509
  0.0000030 -0.0000123  0.0001584  0.1277469
* D-type functions
   15    2    2
 1.5348021D+04 3.9866409D+03 1.4205545D+03 5.9617142D+02 2.7748593D+02
 1.3768273D+02 7.1297139D+01 3.7819030D+01 2.0482492D+01 1.1127340D+01
 5.9959803D+00 3.2176917D+00 1.7116602D+00 8.7911028D-01 3.7772273D-01
  0.0000587 -0.0000278
  0.0004319 -0.0002054
  0.0024368 -0.0011582
  0.0110383 -0.0052954
  0.0394451 -0.0190360
  0.1109682 -0.0546564
  0.2339778 -0.1156940
  0.3453933 -0.1658183
  0.3132005 -0.1037259
  0.1406559  0.1527661
  0.0244629  0.3963308
  0.0016877  0.3877541
  0.0001795  0.1875391
  0.0000762  0.0416875
  0.0000081  0.0030354
* F-type functions
   10    1    0
 3.8285976D+02 1.3139572D+02 5.6151133D+01 2.6289163D+01 1.2954128D+01
 6.4572824D+00 3.1444537D+00 1.4609985D+00 6.2713883D-01 2.3443126D-01
 -0.0006623
 -0.0057397
 -0.0272461
 -0.0833867
 -0.1846146
 -0.2851809
 -0.3274630
 -0.2829040
 -0.1810361
 -0.0678210
*
End

*
/Dy.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.20e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Dy(7K)
*
 20.000000            3

* S-type functions
   14    2
  2091076.4129999999
   134468.8376000000
    18554.6309800000
     3743.4202200000
      982.1288960000
      159.9535586000
       89.5506015800
       18.3768791800
        3.7282360300
        1.4219516890
        0.7458461490
        0.3247109015
        0.0714079344
        0.0277673531
     -0.000193641640  0.000051595415
     -0.001069506300  0.000284967310
     -0.004132554800  0.001101214400
     -0.013789651000  0.003674714500
     -0.029694165000  0.007917249500
      0.049129691000 -0.013179477000
      0.153629190000 -0.041096392000
     -0.547887440000  0.149750940000
      0.976526160000 -0.291148980000
      0.201656900000 -0.069681097000
     -0.956856310000  0.394737390000
     -0.457171530000  0.345288240000
     -0.009471909300 -0.683872250000
      0.001994402400 -0.526545420000
* P-type functions
   10    1
     3423.1749340000
      697.3039983000
      203.2838486000
       28.7932103400
       10.5410505000
        7.9421225920
        3.6264050980
        0.8689827493
        0.3939426926
        0.1635341831
     -0.003327317100
     -0.020365604000
     -0.056658950000
      0.194033440000
      0.212591260000
     -0.363769390000
     -0.360129570000
      0.529490740000
      0.516797000000
      0.112518070000
* D-type functions
    9    1
      398.1239217000
      114.3894256000
       41.1147710700
        7.6132607480
        3.7753603140
        0.8226054047
        0.3435174135
        0.1450764055
        0.0582353021
      0.004636096400
      0.026181621000
      0.055068030000
     -0.106589550000
     -0.112886490000
      0.246042980000
      0.410819580000
      0.374194980000
      0.206233480000
* F-type functions
    8    1
      176.7781548000
       59.7813741000
       24.3747328000
       10.8580804500
        4.9435788610
        2.2160438900
        0.9375894025
        0.3511295572
      0.004674605800
      0.033482863000
      0.120308300000
      0.262301690000
      0.358138360000
      0.338607730000
      0.220607120000
      0.079379591000
*
* Core AIMP:Dy DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    529357.364
    111562.245
    33650.9326
    11344.5022
    4134.92389
    1539.29820
    587.375175
    266.303010
    91.8654612
    46.3773031
    8.46693801
    4.56755560
    2.24444690

   .026759784450
   .024416936112
   .040247963790
   .062870904939
   .086847316400
   .107806327412
   .189190719293
   .241506442951
   .197139232967
   .565028266693
   .493618985332
   .244895981282
   .019671138380
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    3974.468400     671.397800     153.803832      32.720968
    .566548920E+11
    .603847550E+10
    982820250.
    203057980.
    50124922.0
    13819267.0
    4112773.60
    1306919.60
    443006.920
    157976.720
    59148.4390
    23219.5110
    9491.69710
    4027.22730
    1761.27940
    789.656480
    363.834710
    155.047920
    71.6559400
    28.6831040
    14.8980750
    5.85217510
    2.90202500
    .826497010
    .371602500
    .618966600E-01
    .253305230E-01
   .000004016936  -.000001475663   .000000688865   .000000332423
   .000015215994  -.000005582080   .000002605014   .000001257089
   .000046853343  -.000017169616   .000008012443   .000003866168
   .000123815250  -.000045356404   .000021161426   .000010211429
   .000296091109  -.000108417960   .000050591775   .000024410480
   .000675804468  -.000247649901   .000115542380   .000055757260
   .001484996096  -.000544555412   .000254199050   .000122652269
   .003127482091  -.001150799304   .000537153039   .000259272339
   .006407837081  -.002365778708   .001105898599   .000533661997
   .013001181962  -.004848978116   .002266873297   .001094940394
   .026008144925  -.009801438932   .004600500194   .002220912587
   .051793110850  -.020070111065   .009427547588   .004562308874
   .102025819705  -.040856016133   .019397468975   .009378891147
   .189947619450  -.082596124269   .039440139949   .019186902891
   .304340759119  -.149064330486   .073498096906   .035775836798
   .328152959050  -.207119930675   .104909569866   .051993817706
   .158884589540  -.050448908164   .024721708968   .011197980937
   .015703093955   .476635401553  -.389190269501  -.211595488803
  -.001219399296   .580103951890  -.622358519203  -.378716677858
   .000477064129   .110327080360   .406024619480   .385085007822
  -.000324314219  -.019351480063   .851864818909  1.019787494233
   .000147279490   .006768387822   .125346889839  -.562134026821
  -.000068493365  -.003242654711  -.017149889978  -.889670554969
   .000022544350   .001013086903   .004456626494  -.060793913656
  -.000010959991  -.000476743992  -.002074411497   .013933837921
   .000002762481   .000121199030   .000501204039  -.002836781584
  -.000001318322  -.000057804971  -.000238675490   .001318714193
   23    3
     596.280360     130.200486      24.727448
    52337854.0
    7458473.20
    1537608.50
    390783.090
    115496.960
    38564.7140
    14259.5720
    5740.28670
    2485.56280
    1142.97120
    552.530380
    278.472100
    145.319020
    77.6606780
    41.8163340
    22.9395380
    12.5863700
    6.67935850
    3.48193080
    1.75135430
    .823736490
    .371296560
    .152484110
   .000005928055  -.000002936509  -.000001394768
   .000019737562  -.000009782363  -.000004646903
   .000058120302  -.000028829988  -.000013697501
   .000161113189  -.000080038021  -.000038039945
   .000438924198  -.000218486379  -.000103885389
   .001199762795  -.000599206618  -.000285114478
   .003336030687  -.001673549094  -.000797141454
   .009373121163  -.004738463684  -.002260580584
   .025901291898  -.013255400956  -.006342560956
   .067425018736  -.035296847884  -.016970901883
   .152859549401  -.082949373727  -.040228595722
   .274275158925  -.156571389485  -.076847336468
   .341194588663  -.200484449341  -.099227775313
   .241114169055  -.070923976767  -.022709226843
   .073057039714   .276765639090   .199401868620
   .005121586580   .513809168310   .409193827168
   .000650361747   .296519839025   .124801219136
  -.000385066538   .050580176834  -.481479146668
   .000097481584   .001769854294  -.568092586068
  -.000073303997   .000476846368  -.166396788848
   .000030570587  -.000109861430  -.007861168046
  -.000011384656   .000031287230  -.000922772844
   .000002938858  -.000007018082   .000217433278
   15    2
      99.294348      13.502210
    13388.3010
    4574.57880
    1661.48830
    636.998340
    272.468200
    126.653360
    62.1461470
    31.3574710
    16.0761550
    8.06228330
    3.92470230
    1.81424980
    .679155040
    .244113100
    .787172630E-01
   .000066445191  -.000031620210
   .000313633386  -.000151084391
   .002104332076  -.001007208704
   .011687745864  -.005665603722
   .047863943445  -.023324538091
   .142759258344  -.071294850277
   .295525736572  -.146755580570
   .390291085473  -.181581090705
   .263058806949  -.000723409833
   .066024577234   .366544931424
   .003270212062   .495152941923
   .000571070523   .241347760937
  -.000059689448   .026177500102
   .000045451506  -.001588737806
  -.000007265031   .000534784582
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Dy.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 6.7214502D+10 6.0775684D+09 9.4489080D+08 2.0829563D+08 5.1192202D+07
 1.3811530D+07 4.1137560D+06 1.3171498D+06 4.4333668D+05 1.5787993D+05
 5.9337899D+04 2.3240251D+04 9.4869961D+03 4.0345400D+03 1.7670468D+03
 7.9234108D+02 3.6508060D+02 1.5518941D+02 7.1730390D+01 2.8704884D+01
 1.4882839D+01 5.8379975D+00 2.8749545D+00 7.9567065D-01 3.5452398D-01
 5.7593463D-02 2.3811901D-02
  0.0000037 -0.0000014  0.0000006  0.0000003 -0.0000001  0.0000000
  0.0000160 -0.0000059  0.0000027  0.0000013 -0.0000005  0.0000001
  0.0000470 -0.0000172  0.0000080  0.0000039 -0.0000015  0.0000004
  0.0001185 -0.0000434  0.0000202  0.0000098 -0.0000038  0.0000009
  0.0002976 -0.0001090  0.0000509  0.0000245 -0.0000094  0.0000023
  0.0006823 -0.0002500  0.0001167  0.0000562 -0.0000216  0.0000054
  0.0014717 -0.0005397  0.0002519  0.0001213 -0.0000467  0.0000116
  0.0031126 -0.0011454  0.0005346  0.0002576 -0.0000992  0.0000247
  0.0064505 -0.0023816  0.0011133  0.0005362 -0.0002065  0.0000513
  0.0129536 -0.0048317  0.0022589  0.0010891 -0.0004197  0.0001043
  0.0259214 -0.0097678  0.0045847  0.0022092 -0.0008508  0.0002115
  0.0519544 -0.0201344  0.0094587  0.0045692 -0.0017620  0.0004375
  0.1019354 -0.0408154  0.0193775  0.0093517 -0.0036021  0.0008961
  0.1891457 -0.0822551  0.0392815  0.0190765 -0.0073665  0.0018285
  0.3037182 -0.1486020  0.0732513  0.0355854 -0.0137237  0.0034169
  0.3284352 -0.2072382  0.1049935  0.0519472 -0.0201532  0.0049980
  0.1598558 -0.0513801  0.0251679  0.0113852 -0.0042727  0.0010876
  0.0159808  0.4760230 -0.3884458 -0.2107363  0.0832385 -0.0208188
 -0.0013077  0.5805977 -0.6231160 -0.3785023  0.1540491 -0.0384017
  0.0005249  0.1106779  0.4061107  0.3847647 -0.1730875  0.0434433
 -0.0003533 -0.0193743  0.8529325  1.0178471 -0.4826114  0.1240075
  0.0001589  0.0067149  0.1234142 -0.5686331  0.3933431 -0.1067267
 -0.0000730 -0.0031595 -0.0162689 -0.8843970  0.7838174 -0.2178478
  0.0000236  0.0009681  0.0041655 -0.0594427 -0.7039295  0.2396972
 -0.0000115 -0.0004591 -0.0019502  0.0141410 -0.6342414  0.4015254
  0.0000030  0.0001187  0.0004795 -0.0029636 -0.0197774 -0.7032714
 -0.0000014 -0.0000576 -0.0002323  0.0014050  0.0067771 -0.4678142
* P-type functions
   23    4    3
 5.2440248D+07 7.4695536D+06 1.5413073D+06 3.9039757D+05 1.1542459D+05
 3.8636406D+04 1.4258544D+04 5.7411601D+03 2.4860723D+03 1.1429163D+03
 5.5253606D+02 2.7840180D+02 1.4532206D+02 7.7666359D+01 4.1830357D+01
 2.2958915D+01 1.2605134D+01 6.6942933D+00 3.4934723D+00 1.7632603D+00
 8.1966381D-01 3.6998079D-01 1.5250069D-01
  0.0000059 -0.0000029 -0.0000014 -0.0000005
  0.0000197 -0.0000098 -0.0000046 -0.0000016
  0.0000581 -0.0000288 -0.0000137 -0.0000047
  0.0001616 -0.0000803 -0.0000381 -0.0000130
  0.0004378 -0.0002180 -0.0001034 -0.0000353
  0.0011981 -0.0005984 -0.0002840 -0.0000971
  0.0033409 -0.0016761 -0.0007964 -0.0002725
  0.0093635 -0.0047338 -0.0022526 -0.0007702
  0.0259118 -0.0132618 -0.0063298 -0.0021686
  0.0674208 -0.0352962 -0.0169269 -0.0057947
  0.1529148 -0.0829875 -0.0401474 -0.0137967
  0.2743507 -0.1566247 -0.0766725 -0.0263374
  0.3410209 -0.2004061 -0.0989523 -0.0342124
  0.2412003 -0.0709554 -0.0226336 -0.0066355
  0.0729347  0.2765458  0.1986101  0.0729056
  0.0052251  0.5132365  0.4075870  0.1558482
  0.0005948  0.2969597  0.1253231  0.0312074
 -0.0003454  0.0508782 -0.4762067 -0.2339355
  0.0000761  0.0018726 -0.5659299 -0.3281773
 -0.0000625  0.0004890 -0.1727190  0.0237566
  0.0000249 -0.0000917 -0.0094724  0.5136367
 -0.0000095  0.0000297 -0.0008174  0.5111671
  0.0000024 -0.0000056  0.0001723  0.1173626
* D-type functions
   15    2    2
 1.5533206D+04 4.0077213D+03 1.4191338D+03 5.9580893D+02 2.7757910D+02
 1.3768029D+02 7.1305743D+01 3.7813342D+01 2.0476260D+01 1.1125700D+01
 5.9868311D+00 3.2165010D+00 1.7146562D+00 8.8136054D-01 3.7694426D-01
  0.0000627 -0.0000298
  0.0004672 -0.0002231
  0.0026462 -0.0012641
  0.0118573 -0.0057174
  0.0420930 -0.0204276
  0.1172672 -0.0581054
  0.2430142 -0.1206894
  0.3506929 -0.1683102
  0.3042615 -0.0919112
  0.1287468  0.1758390
  0.0208335  0.4062141
  0.0013987  0.3746692
  0.0001994  0.1727857
  0.0000704  0.0367126
  0.0000108  0.0026439
* F-type functions
   10    1    0
 3.8249412D+02 1.3123976D+02 5.6119260D+01 2.6280782D+01 1.2964015D+01
 6.4603455D+00 3.1471031D+00 1.4636831D+00 6.2963362D-01 2.3567072D-01
  0.0007445
  0.0064024
  0.0298917
  0.0901251
  0.1942171
  0.2908969
  0.3245215
  0.2738744
  0.1729950
  0.0645683
*
End

*
/Ho.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.21e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Ho(6L)
*
 21.000000            3

* S-type functions
   14    2
  2062378.3999999999
   149242.5136000000
    20728.8263000000
     4183.8529650000
     1074.6752900000
      141.2204221000
       84.8128943900
       19.1592842200
        4.0004410600
        2.0625152320
        0.7623198947
        0.3433195977
        0.0713704540
        0.0279522953
     -0.000200047080  0.000052935294
     -0.001030033300  0.000272562670
     -0.003937696900  0.001042054000
     -0.013093501000  0.003465245300
     -0.029792459000  0.007888088100
      0.086662775000 -0.023082596000
      0.117001160000 -0.031051450000
     -0.550813220000  0.149444490000
      0.900943510000 -0.265536850000
      0.211199590000 -0.068208516000
     -0.873380730000  0.358741820000
     -0.473391070000  0.344916330000
     -0.012008302000 -0.696234650000
      0.002987630100 -0.506012500000
* P-type functions
   10    1
     3554.6005830000
      722.9670905000
      211.0319928000
       30.0257596700
       10.9097256100
        8.8987623740
        3.8809271020
        0.8936995883
        0.4058282749
        0.1658002220
     -0.003359155100
     -0.020332259000
     -0.056541204000
      0.191652630000
      0.303616330000
     -0.431154580000
     -0.375534420000
      0.527628860000
      0.515853220000
      0.112134450000
* D-type functions
    9    1
      414.8129922000
      119.9254499000
       42.9991826400
        7.8865691360
        3.9010699110
        0.8549167665
        0.3488517083
        0.1386519300
        0.0524243701
      0.004501959900
      0.025527717000
      0.054406973000
     -0.106767090000
     -0.108862460000
      0.243247080000
      0.424719940000
      0.396322890000
      0.180967330000
* F-type functions
    8    1
      181.5170258000
       61.6141770100
       25.1599899700
       11.2204803400
        5.1064108110
        2.2826696570
        0.9629306792
        0.3596336759
      0.004868445600
      0.034564722000
      0.123593610000
      0.266201900000
      0.359461090000
      0.336125160000
      0.216689540000
      0.077515175000
*
* Core AIMP:Ho DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    537209.465
    114527.693
    34895.0950
    11852.7130
    4346.48805
    1631.72109
    623.857854
    281.598741
    97.4060733
    48.4769458
    8.85393014
    4.79356820
    2.36157991

   .025767453333
   .023244439144
   .038103372205
   .059390340770
   .081797209094
   .101310213525
   .176786653547
   .233380492197
   .184850864689
   .543394250436
   .467673654187
   .235155532540
   .019621714808
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    4109.800200     697.115860     160.120674      33.985620
    .576097510E+11
    .566471780E+10
    996008150.
    205754670.
    49305753.0
    13520791.0
    4036447.30
    1288986.50
    436939.670
    156566.450
    58881.2690
    23185.9500
    9509.34760
    4022.12680
    1744.19300
    778.229280
    358.057490
    156.677040
    72.9613930
    29.4716230
    15.3185570
    6.10266530
    3.01387610
    .863796970
    .387992440
    .671656100E-01
    .275470370E-01
   .000004417071  -.000001630037   .000000762805   .000000368798
   .000016760943  -.000006176316   .000002889404   .000001396950
   .000048155372  -.000017725001   .000008291907   .000004008520
   .000133505130  -.000049119624   .000022973281   .000011106532
   .000322686691  -.000118676060   .000055513722   .000026835588
   .000727372022  -.000267699579   .000125201389   .000060531796
   .001584433604  -.000583619399   .000273103898   .000132021301
   .003329753708  -.001230592097   .000575806326   .000278452772
   .006802827716  -.002523701095   .001182686391   .000571793514
   .013658595031  -.005117744289   .002398494381   .001160727608
   .027221910062  -.010316731978   .004855243262   .002348356215
   .053805154123  -.020959494956   .009871250224   .004786458031
   .105373820240  -.042516841910   .020246187844   .009808555764
   .197069950449  -.086332609818   .041357924681   .020162493132
   .312338410712  -.155353959672   .076943035406   .037539359246
   .323615360738  -.206376669565   .104960289189   .052181603342
   .144751360330  -.030437233936   .013012987899   .005107363733
   .012127509028   .489584388968  -.405554546867  -.221481611452
  -.000337274121   .564095298811  -.608222625302  -.372744632443
  -.000015440980   .104108509781   .434583396643   .415389192722
  -.000007059932  -.018020598962   .833519843562  1.004250206582
  -.000003353633   .006284970287   .120271819071  -.578179013789
   .000006764741  -.002969670594  -.015362846881  -.881858275779
  -.000002397708   .000932461088   .004056000169  -.060620478397
   .000001003718  -.000440551769  -.001897759285   .013904798091
  -.000000285449   .000114850970   .000469094446  -.002912250119
   .000000134593  -.000054172154  -.000220919078   .001337636609
   23    3
     618.257320     135.462212      25.648788
    52460490.0
    7467430.90
    1541137.00
    390553.570
    115410.520
    38635.8040
    14258.6110
    5741.09740
    2486.07590
    1142.91200
    552.547220
    278.392240
    145.312730
    77.6136320
    41.8092030
    22.9711340
    12.5911800
    6.68909750
    3.48736290
    1.74543130
    .822741420
    .370753060
    .151909820
   .000006352229  -.000003156953  -.000001502725
   .000021127471  -.000010505785  -.000005001438
   .000062141456  -.000030927232  -.000014725817
   .000172791631  -.000086130100  -.000041026267
   .000467552892  -.000233539630  -.000111283740
   .001276388807  -.000639743900  -.000305106601
   .003551658418  -.001788318099  -.000853663413
   .009922357051  -.005035998698  -.002408478907
   .027352173142  -.014058578994  -.006742258020
   .070750041367  -.037223676983  -.017947895053
   .159006110825  -.086774138961  -.042192897125
   .281141421458  -.161513399927  -.079553506236
   .340924901768  -.200111479910  -.099052236294
   .231646231202  -.055523546975  -.013458809040
   .065495911340   .301208619865   .218359620648
   .004304439622   .513056799770   .411463951220
   .000433672632   .275475819876   .086579135257
  -.000274365151   .042741114981  -.508410131508
   .000041118646   .001775616499  -.548047131626
  -.000041495888   .000280664860  -.147915540439
   .000016954774  -.000036964979  -.005860362617
  -.000006088398   .000004593608  -.000980499403
   .000001570569  -.000000095163   .000234281961
   15    2
     103.558340      14.039345
    15088.7900
    3849.23270
    1393.58680
    591.851440
    281.900630
    140.600180
    71.1777560
    36.0686560
    18.3912940
    9.11639050
    4.39695690
    2.00796660
    .741936300
    .253595780
    .779826730E-01
   .000073375834  -.000035073632
   .000531680118  -.000257213590
   .002926324889  -.001405172601
   .012571736953  -.006141518703
   .042636032841  -.020804283011
   .121557179548  -.061012606033
   .266581759009  -.132975760071
   .388611898555  -.186634160100
   .297149458895  -.042069635023
   .085242771683   .334156110180
   .004484326983   .512191470275
   .000859246477   .271549610146
  -.000120949570   .031417512017
   .000071151581  -.001810331901
  -.000015107140   .000631526090
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Ho.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 5.7876523D+10 6.2850111D+09 1.0452967D+09 2.0945137D+08 5.1656671D+07
 1.4119209D+07 4.1524601D+06 1.3247094D+06 4.4802274D+05 1.5920876D+05
 5.9306917D+04 2.3231077D+04 9.5046756D+03 4.0333879D+03 1.7684847D+03
 7.9758700D+02 3.6973108D+02 1.5906501D+02 7.3772579D+01 2.9699605D+01
 1.5394413D+01 6.0531880D+00 2.9751088D+00 8.1915905D-01 3.6381960D-01
 5.9858954D-02 2.4686956D-02
  0.0000042 -0.0000016  0.0000007  0.0000004 -0.0000001  0.0000000
  0.0000156 -0.0000057  0.0000027  0.0000013 -0.0000005  0.0000001
  0.0000484 -0.0000178  0.0000083  0.0000040 -0.0000015  0.0000004
  0.0001307 -0.0000481  0.0000225  0.0000109 -0.0000042  0.0000010
  0.0003079 -0.0001132  0.0000530  0.0000256 -0.0000098  0.0000024
  0.0007161 -0.0002636  0.0001233  0.0000595 -0.0000229  0.0000056
  0.0015629 -0.0005756  0.0002694  0.0001300 -0.0000500  0.0000123
  0.0032638 -0.0012062  0.0005644  0.0002725 -0.0001047  0.0000258
  0.0067179 -0.0024916  0.0011676  0.0005636 -0.0002166  0.0000534
  0.0136274 -0.0051060  0.0023932  0.0011563 -0.0004445  0.0001095
  0.0272895 -0.0103389  0.0048653  0.0023493 -0.0009027  0.0002225
  0.0539260 -0.0210136  0.0098982  0.0047921 -0.0018432  0.0004537
  0.1055152 -0.0425508  0.0202609  0.0097984 -0.0037657  0.0009286
  0.1947974 -0.0853985  0.0409126  0.0199177 -0.0076710  0.0018875
  0.3060004 -0.1514631  0.0749747  0.0364994 -0.0140474  0.0034674
  0.3222616 -0.2048867  0.1041130  0.0516858 -0.0199942  0.0049144
  0.1525314 -0.0409419  0.0190781  0.0081801 -0.0030373  0.0007756
  0.0147026  0.4817908 -0.3967413 -0.2159370  0.0851945 -0.0211263
 -0.0010384  0.5731163 -0.6171510 -0.3770550  0.1530284 -0.0378073
  0.0003784  0.1073688  0.4207132  0.4024672 -0.1802574  0.0448465
 -0.0002581 -0.0183134  0.8448999  1.0098767 -0.4789566  0.1220047
  0.0001141  0.0062747  0.1204644 -0.5871213  0.4078294 -0.1095879
 -0.0000507 -0.0029294 -0.0157196 -0.8722503  0.7682296 -0.2114658
  0.0000163  0.0008926  0.0040245 -0.0573757 -0.7158837  0.2414019
 -0.0000080 -0.0004246 -0.0018923  0.0137638 -0.6204867  0.3940769
  0.0000021  0.0001111  0.0004714 -0.0029267 -0.0195080 -0.6840715
 -0.0000010 -0.0000536 -0.0002273  0.0013804  0.0066372 -0.4863544
* P-type functions
   23    4    3
 5.1644258D+07 7.5767609D+06 1.5408846D+06 3.8872284D+05 1.1573723D+05
 3.8629098D+04 1.4264854D+04 5.7410463D+03 2.4864297D+03 1.1429128D+03
 5.5252518D+02 2.7835243D+02 1.4529153D+02 7.7670045D+01 4.1832990D+01
 2.2974308D+01 1.2583574D+01 6.7000124D+00 3.4996619D+00 1.7641719D+00
 8.1892405D-01 3.6975839D-01 1.5265564D-01
  0.0000064 -0.0000032 -0.0000015 -0.0000005
  0.0000208 -0.0000104 -0.0000049 -0.0000017
  0.0000629 -0.0000313 -0.0000149 -0.0000051
  0.0001725 -0.0000860 -0.0000409 -0.0000139
  0.0004660 -0.0002328 -0.0001107 -0.0000377
  0.0012787 -0.0006409 -0.0003050 -0.0001038
  0.0035481 -0.0017866 -0.0008509 -0.0002898
  0.0099272 -0.0050386 -0.0024043 -0.0008183
  0.0273422 -0.0140547 -0.0067251 -0.0022929
  0.0707748 -0.0372379 -0.0179139 -0.0061055
  0.1590095 -0.0867862 -0.0421026 -0.0143987
  0.2812814 -0.1615961 -0.0794126 -0.0271648
  0.3407032 -0.2000346 -0.0987898 -0.0339650
  0.2314608 -0.0555256 -0.0134642 -0.0033743
  0.0658069  0.3009231  0.2176881  0.0797990
  0.0041755  0.5137356  0.4106412  0.1561061
  0.0005246  0.2751725  0.0864368  0.0143652
 -0.0003259  0.0425051 -0.5035943 -0.2467821
  0.0000709  0.0019844 -0.5453964 -0.3171310
 -0.0000561  0.0002445 -0.1541211  0.0523166
  0.0000226 -0.0000009 -0.0076890  0.5243444
 -0.0000086 -0.0000046 -0.0007738  0.4931037
  0.0000022  0.0000033  0.0001664  0.1083447
* D-type functions
   15    2    2
 1.6015423D+04 4.0094325D+03 1.4167510D+03 5.9601133D+02 2.7754372D+02
 1.3769700D+02 7.1309138D+01 3.7808077D+01 2.0478399D+01 1.1112848D+01
 5.9822558D+00 3.2156846D+00 1.7131879D+00 8.8302399D-01 3.7752870D-01
  0.0000664 -0.0000317
  0.0005105 -0.0002450
  0.0028563 -0.0013707
  0.0127213 -0.0061649
  0.0448925 -0.0218981
  0.1236117 -0.0616097
  0.2521384 -0.1256772
  0.3548863 -0.1701714
  0.2948463 -0.0787252
  0.1177077  0.1980555
  0.0174400  0.4134097
  0.0013427  0.3622880
  0.0001349  0.1587317
  0.0000951  0.0320142
  0.0000062  0.0023764
* F-type functions
   10    1    0
 3.8182905D+02 1.3100528D+02 5.6068719D+01 2.6275594D+01 1.2975211D+01
 6.4614937D+00 3.1490364D+00 1.4679062D+00 6.3169612D-01 2.3710188D-01
  0.0008353
  0.0071226
  0.0326710
  0.0969716
  0.2033995
  0.2959872
  0.3205140
  0.2652930
  0.1659881
  0.0617090
*
End

*
/Er.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.22e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Er(5L)
*
 22.000000            3

* S-type functions
   14    2
  2143408.1560000000
   165146.4153000000
    23157.7131200000
     4658.2447930000
     1167.0714020000
      137.7053845000
       81.9456244100
       20.0924022500
        4.1297615230
        2.0573723710
        0.8007153671
        0.3592853710
        0.0740052066
        0.0289930199
     -0.000202656010  0.000053223613
     -0.000996900410  0.000261816980
     -0.003761152100  0.000987870130
     -0.012492118000  0.003281274700
     -0.030086940000  0.007905956800
      0.108932300000 -0.028789158000
      0.096469794000 -0.025394638000
     -0.549559000000  0.147919870000
      0.913372160000 -0.267227530000
      0.198102720000 -0.063387870000
     -0.861723710000  0.346521320000
     -0.488802880000  0.351866960000
     -0.012713546000 -0.677539300000
      0.003166348700 -0.522418960000
* P-type functions
   10    1
     3615.1334370000
      740.2435546000
      217.3800556000
       31.3038797400
       11.7974221900
        8.8456719240
        3.9971813490
        0.9335318083
        0.4229040037
        0.1731459714
      0.003459295700
      0.020555702000
      0.056303556000
     -0.190478910000
     -0.208205760000
      0.343090950000
      0.365701300000
     -0.519403210000
     -0.520537670000
     -0.116661360000
* D-type functions
    9    1
      435.5252609000
      124.9974373000
       44.8303502300
        8.2634702760
        4.0870452520
        0.8945837192
        0.3678165909
        0.1441262279
        0.0524407224
      0.004411702100
      0.025265238000
      0.054039453000
     -0.104477810000
     -0.108596380000
      0.235276270000
      0.418308950000
      0.410811320000
      0.184960570000
* F-type functions
    8    1
      189.6528632000
       64.4609712700
       26.3626947000
       11.7613793600
        5.3456531640
        2.3810209040
        0.9990376290
        0.3707646369
      0.004873249300
      0.034637152000
      0.124112430000
      0.267181510000
      0.359897930000
      0.335741490000
      0.216693980000
      0.078506706000
*
* Core AIMP:Er DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    540186.960
    115797.503
    35487.7290
    12112.1861
    4459.42226
    1679.27852
    643.121501
    290.071715
    100.092806
    50.3642119
    9.20307970
    2.42616160
    4.95571784

   .025018506317
   .022429001175
   .036633794346
   .056857574242
   .078005979655
   .096704941491
   .170034746960
   .222216082482
   .177325844281
   .516188443615
   .450426218637
   .017579647849
   .221488309859
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    4247.930200     723.467500     166.607632      35.292248
    .647492070E+11
    .652659370E+10
    .104744910E+10
    215698380.
    52290199.0
    14238112.0
    4202522.30
    1339629.90
    450582.660
    159209.420
    59444.7650
    23266.0450
    9488.21530
    4030.61430
    1766.81750
    797.649280
    370.958220
    162.447480
    75.8343630
    30.8223190
    16.0058330
    6.34567070
    3.13393790
    .881014620
    .398688890
    .681244880E-01
    .271105650E-01
   .000004279594  -.000001586805   .000000744367   .000000360557
   .000016805206  -.000006221012   .000002917300   .000001413071
   .000051182372  -.000018924179   .000008873888   .000004297867
   .000136141801  -.000050311741   .000023586704   .000011424371
   .000328863733  -.000121479970   .000056959117   .000027585491
   .000752520606  -.000278160940   .000130402989   .000063164056
   .001637971013  -.000605966849   .000284223818   .000137652090
   .003426209827  -.001271734598   .000596481686   .000288989310
   .007093663156  -.002643274696   .001241587692   .000601389791
   .014316934114  -.005389131991   .002532021483   .001227652002
   .028400432226  -.010817673982   .005102996065   .002472820504
   .056338675448  -.022071311963   .010423948929   .005064392007
   .109445310870  -.044466704926   .021231371855   .010305321015
   .199856751588  -.088315212853   .042446770711   .020741072030
   .309915292463  -.155308989742   .077172803474   .037716010054
   .316860082518  -.202909319663   .103470839295   .051589283074
   .143244061138  -.027432279954   .010959254925   .003964109406
   .012824741102   .487479609191  -.405229597241  -.221791600320
  -.000607245235   .563278029065  -.608895875854  -.374402010539
   .000145961321   .105106879826   .427407037090   .411853590593
  -.000111041781  -.017609291971   .840254954278  1.009154601454
   .000046173650   .006101979190   .121760959171  -.580018060836
  -.000017716544  -.002872328195  -.015870493892  -.880005591268
   .000005747369   .000896088589   .004163910572  -.060087112087
  -.000002952789  -.000428822269  -.001972813587   .014449288021
   .000000720053   .000107818830   .000471606047  -.002927938704
  -.000000334195  -.000049982919  -.000218296759   .001322942002
   23    3
     640.682980     140.847220      26.598284
    53883671.0
    7670989.10
    1580715.10
    400963.020
    118048.950
    39199.2640
    14414.9020
    5784.21350
    2495.82230
    1143.78670
    551.848670
    277.823100
    145.056630
    77.6680710
    41.9021650
    23.2041390
    12.8639430
    6.98158880
    3.72150470
    1.92122230
    .909138860
    .417029950
    .174231700
   .000006675550  -.000003328191  -.000001587648
   .000022187719  -.000011068148  -.000005280581
   .000065143403  -.000032525836  -.000015520332
   .000180402549  -.000090213532  -.000043065914
   .000491516748  -.000246330181  -.000117630070
   .001345756695  -.000676770662  -.000323507279
   .003735648787  -.001887775705  -.000903060628
   .010452186964  -.005324452014  -.002552751294
   .028817157900  -.014875113039  -.007149659182
   .074382251742  -.039320758104  -.019013404952
   .165668959425  -.090938877240  -.044329797889
   .288302649000  -.166615050439  -.082366976794
   .339343688823  -.198819770524  -.098340927754
   .220940259234  -.038768788102  -.003475915291
   .059431082794   .320953130846   .234723939413
   .003255194289   .503416621328   .404942828987
   .000595831818   .259567170685   .067917861830
  -.000375459199   .041289346109  -.491061378772
   .000099340370   .002112242606  -.539368698651
  -.000069654046   .000277308001  -.165570679586
   .000027831564  -.000017152395  -.009993152675
  -.000010240136  -.000001057856  -.000613169358
   .000002606034   .000001158754   .000125828810
   15    2
     107.918104      14.594867
    20055.4050
    4708.67700
    1602.45380
    650.906760
    289.499130
    136.476850
    67.0882500
    33.7203960
    17.1922300
    8.60072200
    4.17402640
    1.92337890
    .718474990
    .253906990
    .801341750E-01
   .000052063796  -.000025023093
   .000429613957  -.000208135079
   .002519391084  -.001216589394
   .012155657925  -.005944179772
   .047556588705  -.023369366890
   .141763569120  -.071386235665
   .297131598156  -.148871899302
   .394533907552  -.184228889136
   .260446378384   .007489524165
   .062505765612   .378501328225
   .003198806380   .491493227696
   .000534890837   .230451158919
  -.000022136981   .023968203888
   .000033318452  -.001259331494
  -.000003902328   .000476473908
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Er.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 6.8154237D+10 6.4947250D+09 1.0534344D+09 2.1973865D+08 5.2529925D+07
 1.4149958D+07 4.2523312D+06 1.3455095D+06 4.4930791D+05 1.5971536D+05
 5.9453997D+04 2.3261386D+04 9.5019423D+03 4.0261089D+03 1.7690924D+03
 7.9938698D+02 3.7018641D+02 1.6256866D+02 7.5868112D+01 3.0977104D+01
 1.6025216D+01 6.3763779D+00 3.1168067D+00 8.5401130D-01 3.7820352D-01
 6.0993770D-02 2.4968154D-02
  0.0000042 -0.0000016  0.0000007  0.0000004  0.0000001  0.0000000
  0.0000170 -0.0000063  0.0000029  0.0000014  0.0000005 -0.0000001
  0.0000504 -0.0000186  0.0000087  0.0000042  0.0000016 -0.0000004
  0.0001344 -0.0000497  0.0000233  0.0000113  0.0000043 -0.0000011
  0.0003335 -0.0001232  0.0000578  0.0000279  0.0000107 -0.0000026
  0.0007491 -0.0002769  0.0001298  0.0000628  0.0000241 -0.0000059
  0.0016122 -0.0005965  0.0002798  0.0001353  0.0000519 -0.0000127
  0.0034633 -0.0012855  0.0006030  0.0002917  0.0001118 -0.0000273
  0.0070847 -0.0026401  0.0012401  0.0005998  0.0002299 -0.0000562
  0.0142495 -0.0053634  0.0025201  0.0012200  0.0004679 -0.0001142
  0.0285330 -0.0108697  0.0051274  0.0024809  0.0009511 -0.0002324
  0.0561435 -0.0219924  0.0103880  0.0050390  0.0019338 -0.0004719
  0.1095486 -0.0445163  0.0212524  0.0103005  0.0039500 -0.0009657
  0.2001442 -0.0884286  0.0425128  0.0207392  0.0079700 -0.0019440
  0.3084454 -0.1546073  0.0768014  0.0374826  0.0143946 -0.0035228
  0.3179871 -0.2032029  0.1036785  0.0515908  0.0199170 -0.0048517
  0.1436534 -0.0281198  0.0111734  0.0041050  0.0014391 -0.0003813
  0.0123298  0.4875147 -0.4045939 -0.2211658 -0.0871009  0.0214185
 -0.0003620  0.5632612 -0.6105031 -0.3745905 -0.1518050  0.0371684
 -0.0000012  0.1048627  0.4246129  0.4067450  0.1818342 -0.0448250
 -0.0000153 -0.0168342  0.8438360  1.0136999  0.4798209 -0.1211626
  0.0000003  0.0057449  0.1207507 -0.5793040 -0.4004875  0.1065849
  0.0000048 -0.0026304 -0.0145291 -0.8826374 -0.7728867  0.2105502
 -0.0000016  0.0007925  0.0037204 -0.0585254  0.7074681 -0.2350443
  0.0000007 -0.0003746 -0.0017400  0.0140581  0.6261364 -0.3922633
 -0.0000002  0.0000967  0.0004267 -0.0029536  0.0199598  0.6869902
  0.0000001 -0.0000467 -0.0002059  0.0013961 -0.0068776  0.4808710
* P-type functions
   23    4    3
 5.3962859D+07 7.6891130D+06 1.5832796D+06 4.0139694D+05 1.1818708D+05
 3.9214589D+04 1.4420880D+04 5.7870444D+03 2.4958116D+03 1.1438780D+03
 5.5176959D+02 2.7774049D+02 1.4504343D+02 7.7627461D+01 4.1891579D+01
 2.3200157D+01 1.2837524D+01 6.9988955D+00 3.7391982D+00 1.9277859D+00
 9.1250304D-01 4.1494170D-01 1.7231357D-01
  0.0000067 -0.0000033 -0.0000016 -0.0000005
  0.0000221 -0.0000110 -0.0000053 -0.0000018
  0.0000651 -0.0000325 -0.0000155 -0.0000052
  0.0001802 -0.0000901 -0.0000429 -0.0000145
  0.0004912 -0.0002462 -0.0001173 -0.0000397
  0.0013461 -0.0006769 -0.0003229 -0.0001094
  0.0037322 -0.0018862 -0.0009004 -0.0003052
  0.0104519 -0.0053244 -0.0025472 -0.0008633
  0.0288246 -0.0148805 -0.0071370 -0.0024216
  0.0743722 -0.0393158 -0.0189696 -0.0064394
  0.1657926 -0.0910196 -0.0442751 -0.0150675
  0.2883023 -0.1666170 -0.0821868 -0.0280132
  0.3393552 -0.1988608 -0.0981555 -0.0335323
  0.2210165 -0.0385445 -0.0033078  0.0001467
  0.0591420  0.3209595  0.2341795  0.0858422
  0.0033863  0.5040627  0.4041579  0.1525431
  0.0005091  0.2593131  0.0675833  0.0070336
 -0.0003203  0.0403694 -0.4848500 -0.2367397
  0.0000682  0.0026655 -0.5388181 -0.3089572
 -0.0000544  0.0000942 -0.1717702  0.0156170
  0.0000206  0.0000784 -0.0107877  0.4843262
 -0.0000075 -0.0000327 -0.0008427  0.5249274
  0.0000019  0.0000104  0.0001530  0.1396918
* D-type functions
   15    2    2
 1.6417391D+04 4.2431585D+03 1.5042434D+03 6.2451900D+02 2.8525007D+02
 1.3883011D+02 7.0914605D+01 3.7410418D+01 2.0252880D+01 1.0984365D+01
 5.8503062D+00 3.0768316D+00 1.5694702D+00 7.2945606D-01 2.1192635D-01
  0.0000674 -0.0000323
  0.0004913 -0.0002367
  0.0027678 -0.0013340
  0.0127807 -0.0062176
  0.0468925 -0.0229863
  0.1320444 -0.0661203
  0.2660362 -0.1331397
  0.3600377 -0.1715940
  0.2818003 -0.0611840
  0.1046809  0.2268499
  0.0141199  0.4319685
  0.0009605  0.3518860
  0.0001821  0.1332568
  0.0000579  0.0182403
  0.0000050  0.0005347
* F-type functions
   10    1    0
 3.8116322D+02 1.3081426D+02 5.6032337D+01 2.6274195D+01 1.2979990D+01
 6.4604670D+00 3.1503517D+00 1.4689142D+00 6.3280707D-01 2.3624462D-01
 -0.0009338
 -0.0078892
 -0.0355740
 -0.1039754
 -0.2123685
 -0.2999274
 -0.3166355
 -0.2570714
 -0.1595331
 -0.0591904
*
End

*
/Tm.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.23e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Tm(4K)
*
 23.000000            3

* S-type functions
   14    2
  2155548.9430000000
   178344.1510000000
    26060.8157500000
     5100.6757000000
     1237.2481360000
      139.5153561000
       81.3728895300
       21.0385105500
        4.2702271630
        2.0032794880
        0.8420105387
        0.3719430745
        0.0759588568
        0.0297536942
     -0.000210386810  0.000054882579
     -0.000964827990  0.000251690650
     -0.003578256300  0.000933510360
     -0.012315494000  0.003213129600
     -0.030319866000  0.007913419900
      0.119406030000 -0.031342425000
      0.087611196000 -0.022894131000
     -0.548254290000  0.146498100000
      0.923145940000 -0.267993680000
      0.196720870000 -0.063492342000
     -0.865690740000  0.343304800000
     -0.498244450000  0.354032020000
     -0.011890822000 -0.671946440000
      0.002820515300 -0.525979900000
* P-type functions
   10    1
     3616.9731780000
      745.3434512000
      221.4030699000
       32.6498218500
       11.5587903400
        9.7120833010
        4.1631376570
        0.9692182220
        0.4375541401
        0.1784033339
      0.003633021400
      0.021148191000
      0.055775189000
     -0.189782880000
     -0.373221600000
      0.504082630000
      0.366374660000
     -0.514727980000
     -0.523388970000
     -0.118438930000
* D-type functions
    9    1
      451.7648354000
      129.5519545000
       46.5777720700
        8.5958840970
        4.2318554750
        0.9296397068
        0.3792944235
        0.1478005014
        0.0538362411
      0.004364123100
      0.024927721000
      0.053195805000
     -0.103591660000
     -0.106024470000
      0.231255250000
      0.416181660000
      0.411916450000
      0.193672500000
* F-type functions
    8    1
      212.1615556000
       72.1723190900
       29.6461807900
       13.2571009200
        6.0344035310
        2.6797913750
        1.1155554300
        0.4080479093
      0.004172982600
      0.030523508000
      0.112684850000
      0.253720210000
      0.356485060000
      0.345314680000
      0.231352650000
      0.088686625000
*
* Core AIMP:Tm DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    546745.718
    117956.688
    36209.9578
    12367.9335
    4551.38328
    1708.77536
    657.788144
    299.172450
    104.082255
    52.4279596
    9.59214544
    2.53280100
    5.17018893

   .024239114572
   .021639020513
   .035371826870
   .054754531674
   .075042385220
   .093237106495
   .163289825142
   .210039977756
   .168008545753
   .494709516056
   .430355615492
   .017092748789
   .212219785667
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    4388.880400     750.444280     173.244782      36.624454
    .646100830E+11
    .653246680E+10
    .105315760E+10
    217897560.
    52532973.0
    14289431.0
    4259900.40
    1347216.40
    450554.430
    159849.610
    59531.9080
    23251.7620
    9501.93570
    4033.10340
    1769.67040
    797.460870
    368.254820
    164.927430
    77.4524370
    31.4603050
    16.3707220
    6.54560810
    3.22052270
    .917005930
    .406686580
    .668497940E-01
    .268153580E-01
   .000004599088  -.000001713240   .000000805540   .000000390860
   .000017964064  -.000006680335   .000003139895   .000001523507
   .000054274977  -.000020158512   .000009474405   .000004596583
   .000144059080  -.000053474434   .000025126560   .000012191101
   .000350639820  -.000130102660   .000061141747   .000029661878
   .000789946041  -.000293275810   .000137800512   .000066861770
   .001713387902  -.000636715429   .000299333224   .000145218199
   .003639072203  -.001356666898   .000637762339   .000309519148
   .007449675107  -.002789229096   .001313245618   .000637195305
   .014941964014  -.005650101691   .002660685637   .001292277490
   .029802713029  -.011415358982   .005398605676   .002620638579
   .058546795056  -.023058955964   .010916195154   .005313195258
   .113040650108  -.046277441929   .022162801312   .010776548914
   .204953640197  -.091244230859   .043972748619   .021530902828
   .312742050300  -.158693819755   .079201429115   .038780479691
   .314020170301  -.201774649689   .103088101451   .051543262589
   .133583720128  -.011651365982   .001554226922  -.001043651692
   .009854233409   .496252869235  -.418150565886  -.229684158169
   .000195075570   .551309649150  -.596002978390  -.368791287060
  -.000295727100   .100439489845   .459547376469   .448038476428
   .000170101870  -.017539180973   .818376341520   .986766592134
  -.000085266854   .006079564691   .114454621611  -.612946275114
   .000046183182  -.002834559696  -.014266143201  -.858197153159
  -.000015172926   .000872706629   .003701019252  -.056277018551
   .000007014569  -.000404084219  -.001697594924   .012666453899
  -.000001790122   .000102017180   .000406458396  -.002583499679
   .000000846884  -.000048251308  -.000191967943   .001192186290
   23    3
     663.540060     146.333336      27.560050
    54037287.0
    7690541.80
    1584052.50
    401537.960
    118214.610
    39216.8880
    14421.8210
    5787.15760
    2495.84200
    1143.88910
    551.766030
    277.775590
    145.092740
    77.6028850
    41.8926160
    23.2108180
    12.8492650
    6.98577140
    3.72636080
    1.91569770
    .916824410
    .417828290
    .174323190
   .000007138498  -.000003569991  -.000001706357
   .000023708004  -.000011863277  -.000005671180
   .000069571063  -.000034845507  -.000016660126
   .000192376621  -.000096508194  -.000046163973
   .000523552432  -.000263239009  -.000125954090
   .001432042406  -.000722597448  -.000346141429
   .003960850016  -.002008593695  -.000962778347
   .011057868046  -.005654381886  -.002717096091
   .030371886125  -.015742637960  -.007582627176
   .077895597322  -.041378638894  -.020061074936
   .172007170711  -.094930966758  -.046387403852
   .294468961216  -.171199719563  -.084914684729
   .337977361396  -.197140109497  -.097369749689
   .211474650874  -.021917182944   .006864796378
   .052745894218   .344421079122   .253961609190
   .002867472812   .498982148728   .402349888716
   .000308110481   .239422359389   .028876994908
  -.000215736331   .034600143912  -.512995138363
   .000016352719   .002088408395  -.520035738341
  -.000026101902   .000119631820  -.147883259528
   .000009614252   .000036713065  -.007826446475
  -.000003112158  -.000020299431  -.000776172938
   .000000801047   .000006095567   .000164860909
   15    2
     112.350852      15.154594
    20368.5660
    4340.08250
    1392.46810
    542.005960
    238.032900
    112.892630
    56.0642480
    28.6587580
    14.8013060
    7.52642270
    3.71714560
    1.73263820
    .638409010
    .224377720
    .723990460E-01
   .000058958869  -.000028531997
   .000565808292  -.000274158249
   .003742014414  -.001821901293
   .018849814068  -.009242690065
   .069759501252  -.034684290868
   .187532380678  -.094944589638
   .340475501231  -.170231149350
   .373484641350  -.156128359404
   .191797380693   .105823559596
   .034154941123   .430809678356
   .001804662507   .440945848317
   .000265069361   .171159599347
   .000040784882   .014080966946
   .000004269716  -.000691773787
   .000003581279   .000291968189
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Tm.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 6.9527140D+10 6.9235429D+09 1.0786059D+09 2.1464164D+08 5.2986807D+07
 1.4544765D+07 4.2788435D+06 1.3499876D+06 4.5157974D+05 1.5981914D+05
 5.9606978D+04 2.3271552D+04 9.4970149D+03 4.0357864D+03 1.7716584D+03
 8.0071134D+02 3.7228123D+02 1.6541548D+02 7.7559435D+01 3.1407479D+01
 1.6330112D+01 6.5157128D+00 3.1840936D+00 8.8247619D-01 3.8709567D-01
 6.2378669D-02 2.5653829D-02
  0.0000044 -0.0000016  0.0000008  0.0000004  0.0000001  0.0000000
  0.0000174 -0.0000065  0.0000030  0.0000015  0.0000006 -0.0000001
  0.0000550 -0.0000204  0.0000096  0.0000047  0.0000018 -0.0000004
  0.0001458 -0.0000541  0.0000254  0.0000123  0.0000047 -0.0000011
  0.0003414 -0.0001267  0.0000595  0.0000288  0.0000110 -0.0000027
  0.0007861 -0.0002918  0.0001371  0.0000664  0.0000254 -0.0000062
  0.0017223 -0.0006400  0.0003009  0.0001458  0.0000557 -0.0000135
  0.0036276 -0.0013525  0.0006358  0.0003081  0.0001179 -0.0000285
  0.0074548 -0.0027910  0.0013141  0.0006367  0.0002435 -0.0000590
  0.0149517 -0.0056545  0.0026629  0.0012915  0.0004941 -0.0001196
  0.0297218 -0.0113825  0.0053832  0.0026093  0.0009980 -0.0002417
  0.0586467 -0.0231038  0.0109379  0.0053162  0.0020351 -0.0004923
  0.1130394 -0.0462626  0.0221568  0.0107575  0.0041160 -0.0009975
  0.2046361 -0.0911491  0.0439269  0.0214788  0.0082329 -0.0019910
  0.3122636 -0.1582563  0.0789875  0.0386141  0.0147991 -0.0035901
  0.3124155 -0.2011163  0.1027279  0.0513006  0.0197487 -0.0047696
  0.1351279 -0.0139362  0.0030029 -0.0002950 -0.0002504  0.0000330
  0.0109689  0.4953536 -0.4171692 -0.2287456 -0.0899875  0.0219310
 -0.0002063  0.5533025 -0.5975874 -0.3691351 -0.1492117  0.0362296
 -0.0000661  0.1005324  0.4623154  0.4506297  0.2010453 -0.0492216
  0.0000221 -0.0176471  0.8170635  0.9827809  0.4654818 -0.1164652
 -0.0000149  0.0060326  0.1122830 -0.6242215 -0.4323235  0.1137013
  0.0000117 -0.0027625 -0.0136307 -0.8494644 -0.7451687  0.2016511
 -0.0000038  0.0008342  0.0034936 -0.0538923  0.7210374 -0.2384187
  0.0000017 -0.0003892 -0.0016125  0.0124609  0.6149095 -0.3834994
 -0.0000005  0.0001017  0.0004002 -0.0026536  0.0189570  0.6815732
  0.0000002 -0.0000493 -0.0001940  0.0012592 -0.0065245  0.4840897
* P-type functions
   23    4    3
 5.4105389D+07 7.6992702D+06 1.5870519D+06 4.0229735D+05 1.1819372D+05
 3.9241105D+04 1.4433194D+04 5.7871832D+03 2.4965258D+03 1.1438901D+03
 5.5166947D+02 2.7768866D+02 1.4509849D+02 7.7601940D+01 4.1855518D+01
 2.3206092D+01 1.2842759D+01 7.0046016D+00 3.7467982D+00 1.9334966D+00
 9.1673759D-01 4.1782262D-01 1.7376625D-01
  0.0000071 -0.0000036 -0.0000017 -0.0000006
  0.0000237 -0.0000119 -0.0000057 -0.0000019
  0.0000694 -0.0000348 -0.0000166 -0.0000056
  0.0001923 -0.0000965 -0.0000461 -0.0000155
  0.0005240 -0.0002635 -0.0001258 -0.0000424
  0.0014293 -0.0007212 -0.0003448 -0.0001162
  0.0039618 -0.0020093 -0.0009612 -0.0003242
  0.0110576 -0.0056541 -0.0027114 -0.0009147
  0.0303630 -0.0157404 -0.0075664 -0.0025549
  0.0779249 -0.0413918 -0.0200258 -0.0067670
  0.1720978 -0.0950032 -0.0463302 -0.0156913
  0.2944954 -0.1711902 -0.0847306 -0.0287552
  0.3377793 -0.1971462 -0.0971910 -0.0330098
  0.2116657 -0.0216130  0.0070716  0.0037929
  0.0526167  0.3448093  0.2537116  0.0928194
  0.0028721  0.4985117  0.4008367  0.1502829
  0.0002860  0.2394030  0.0292885 -0.0093313
 -0.0001949  0.0341954 -0.5069015 -0.2471642
  0.0000042  0.0024457 -0.5188077 -0.2978259
 -0.0000202  0.0000157 -0.1545467  0.0397426
  0.0000065  0.0000995 -0.0091861  0.4912820
 -0.0000020 -0.0000399 -0.0007727  0.5116354
  0.0000005  0.0000122  0.0001395  0.1328443
* D-type functions
   15    2    2
 1.6617409D+04 4.2816678D+03 1.5144344D+03 6.2637186D+02 2.8542760D+02
 1.3881170D+02 7.0874392D+01 3.7377733D+01 2.0252334D+01 1.1019065D+01
 5.8625400D+00 3.0653484D+00 1.5440675D+00 7.2768718D-01 3.8004566D-01
  0.0000718 -0.0000346
  0.0005225 -0.0002526
  0.0029541 -0.0014302
  0.0136682 -0.0066751
  0.0499020 -0.0245860
  0.1389473 -0.0698954
  0.2752269 -0.1382343
  0.3625099 -0.1716877
  0.2702334 -0.0462499
  0.0952039  0.2451512
  0.0123110  0.4372795
  0.0008150  0.3408880
  0.0002079  0.1196435
  0.0000369  0.0137534
  0.0000130  0.0012039
* F-type functions
   10    1    0
 3.7973766D+02 1.3035791D+02 5.5982592D+01 2.6281061D+01 1.2984346D+01
 6.4587573D+00 3.1526147D+00 1.4724500D+00 6.3595283D-01 2.3902390D-01
 -0.0010478
 -0.0087344
 -0.0385724
 -0.1111073
 -0.2210285
 -0.3033077
 -0.3120770
 -0.2491082
 -0.1528909
 -0.0569822
*
End

*
/Yb.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.24e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Yb(3H)
*
 24.000000            3

* S-type functions
   14    2
  2170486.3319999999
   181651.7851000000
    26163.1722900000
     5180.3461570000
     1273.9312970000
      146.3484554000
       85.9953659700
       21.8116905800
        4.4457847700
        2.0563135680
        0.8702291434
        0.3867432626
        0.0776404248
        0.0297626011
     -0.000220392130  0.000057345005
     -0.001009654700  0.000262708290
     -0.003734543600  0.000971783410
     -0.012481889000  0.003248188100
     -0.030101808000  0.007836340200
      0.115612010000 -0.030268838000
      0.090442381000 -0.023576339000
     -0.547610490000  0.145941580000
      0.925407140000 -0.267755080000
      0.188938310000 -0.060702323000
     -0.858489560000  0.338121830000
     -0.499721510000  0.354361690000
     -0.013356344000 -0.687538600000
      0.003378717800 -0.510435750000
* P-type functions
   10    1
     3617.7224370000
      770.1083258000
      230.8585479000
       33.8218635000
       11.6519166300
       10.3588607800
        4.3295569270
        1.0033402890
        0.4519247683
        0.1838930236
      0.003764143300
      0.020897534000
      0.055614556000
     -0.189670610000
     -0.568647350000
      0.698853590000
      0.364702140000
     -0.511981830000
     -0.524256400000
     -0.119887810000
* D-type functions
    9    1
      471.4539488000
      134.6608008000
       48.3938669200
        8.9344101890
        4.3700191080
        0.9574621192
        0.3876451743
        0.1500866008
        0.0536955847
      0.004145236900
      0.023843720000
      0.050914132000
     -0.099560761000
     -0.100625610000
      0.222056310000
      0.405335510000
      0.419164870000
      0.214399170000
* F-type functions
    8    1
      218.4778321000
       74.3233683700
       30.5214511600
       13.6469189500
        6.2102204910
        2.7564184230
        1.1460780330
        0.4184416969
      0.004301221700
      0.031406017000
      0.115671320000
      0.257602760000
      0.357164970000
      0.342416520000
      0.228358490000
      0.087716853000
*
* Core AIMP:Yb DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    555736.931
    121436.582
    37681.9691
    12968.1098
    4800.31656
    1816.59818
    699.635039
    316.142291
    109.976149
    54.6507496
    10.0000379
    2.64021500
    5.39546121

   .023447140798
   .020664677052
   .033602142272
   .051931024327
   .071040878500
   .088087888705
   .153451328921
   .204737225519
   .159240703721
   .477999241342
   .411161687061
   .016654539096
   .204648189352
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    4532.694000     778.059960     180.037172      37.984214
    .684479910E+11
    .685826500E+10
    .110018090E+10
    226236590.
    54440291.0
    14669680.0
    4313298.80
    1356553.30
    453135.210
    160094.080
    59462.8560
    23229.2370
    9493.12360
    4035.61000
    1775.56340
    803.246150
    372.183010
    168.854560
    79.8252030
    32.8380170
    17.0819680
    6.85877580
    3.37004800
    .971177660
    .442010190
    .825440610E-01
    .336518200E-01
   .000004752655  -.000001778893   .000000838292   .000000407408
   .000018645876  -.000006966119   .000003281565   .000001594802
   .000056479008  -.000021073305   .000009926327   .000004823579
   .000149861081  -.000055879065   .000026314917   .000012788084
   .000364732502  -.000135939721   .000064025384   .000031110713
   .000831672795  -.000310135363   .000146046699   .000070975710
   .001812493512  -.000676575155   .000318767969   .000154896010
   .003824191925  -.001432064012   .000674724387   .000327978599
   .007821118651  -.002942086924   .001388255495   .000674689208
   .015717670103  -.005971749148   .002818817389   .001371254896
   .031175266205  -.012006361097   .005690893978   .002767194793
   .060925838401  -.024133024195   .011455046955   .005584424085
   .116852200769  -.048190009390   .023135948910   .011270264970
   .209387841378  -.093979537760   .045442163822   .022288736941
   .314131242067  -.161128041303   .080673133685   .039582776895
   .308122922028  -.198703271607   .101859909602   .051029033865
   .127125950837  -.000488685354  -.005705744978  -.004855253787
   .008761292758   .498785204035  -.423260868345  -.233374079383
   .000409133103   .543079944393  -.589856027694  -.366169189032
  -.000401643523   .099359088804   .456692158215   .446173828821
   .000233522652  -.016571423134   .821480846788   .991983917379
  -.000114759101   .005781359847   .116830009543  -.603511778405
   .000060802932  -.002716705822  -.014522673943  -.865566357713
  -.000020950192   .000880312937   .004000219284  -.059504473843
   .000010219025  -.000427749743  -.001918248193   .013926516963
  -.000002750822   .000114259571   .000486036758  -.002968529992
   .000001256203  -.000052163503  -.000221551239   .001314422997
   23    3
     686.832940     151.923214      28.535346
    54295032.0
    7723297.40
    1589158.60
    402251.390
    118267.700
    39261.4730
    14433.2760
    5788.35590
    2496.92840
    1143.84840
    551.624130
    277.717420
    145.034060
    77.4902290
    41.8326520
    23.2225920
    12.8801130
    7.00202800
    3.74003700
    1.91905860
    .918196920
    .423748640
    .172177640
   .000007618061  -.000003821253  -.000001829792
   .000025293141  -.000012694640  -.000006079746
   .000074193584  -.000037274168  -.000017854081
   .000205248091  -.000103283750  -.000049496861
   .000557523302  -.000281212621  -.000134804809
   .001519741607  -.000769353653  -.000369246828
   .004201469819  -.002137984409  -.001026756395
   .011684701052  -.005996839226  -.002887585787
   .031964037142  -.016636144072  -.008029446364
   .081569323363  -.043534726188  -.021156665906
   .178317430795  -.098948351427  -.048466198785
   .300569001339  -.175726860758  -.087416991613
   .336239021498  -.194946530841  -.096102081574
   .201666880899  -.003628010216   .018304203919
   .046615423208   .367272081584   .273054408790
   .002437511011   .490322352114   .395748758247
   .000135696441   .220618110951  -.008914790061
  -.000120797181   .029754154128  -.530481007650
  -.000029814159   .001830995808  -.499951237785
  -.000001063448   .000102026620  -.133300949410
  -.000000871314   .000035582718  -.006351167672
   .000000822821  -.000018467639  -.000774463737
  -.000000188742   .000005468497   .000163196249
   15    2
     116.858140      15.719161
    12608.4310
    3240.26800
    1417.56520
    628.120760
    283.572870
    139.685860
    72.6007890
    38.0999390
    19.8779880
    9.97181060
    4.83871940
    2.22927710
    .852006860
    .289831730
    .865935510E-01
   .000130530900  -.000063223961
   .000812768517  -.000397322623
   .002931217690  -.001424807012
   .014595890950  -.007198443662
   .053598261818  -.026570740229
   .140177249524  -.071268119614
   .274424879068  -.138300871191
   .375463928724  -.179469901546
   .277735629056  -.021429898185
   .077419080737   .349030783006
   .004139458686   .502549244329
   .000872117387   .258445272226
  -.000086073151   .031138303268
   .000059602745  -.001170964410
  -.000014182321   .000501825514
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Yb.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 7.1671917D+10 6.8528417D+09 1.1061794D+09 2.2963152D+08 5.5103176D+07
 1.4844859D+07 4.3300353D+06 1.3622927D+06 4.5512954D+05 1.6028405D+05
 5.9517787D+04 2.3205185D+04 9.4862964D+03 4.0347972D+03 1.7768299D+03
 8.0629235D+02 3.7530396D+02 1.7009758D+02 8.0217510D+01 3.3235814D+01
 1.7206244D+01 6.8859131D+00 3.3580384D+00 9.1181315D-01 3.9903684D-01
 6.3049721D-02 2.5566065D-02
  0.0000047 -0.0000017  0.0000008  0.0000004  0.0000002  0.0000000
  0.0000188 -0.0000070  0.0000033  0.0000016  0.0000006 -0.0000001
  0.0000558 -0.0000208  0.0000098  0.0000048  0.0000018 -0.0000004
  0.0001483 -0.0000553  0.0000261  0.0000126  0.0000048 -0.0000012
  0.0003616 -0.0001348  0.0000635  0.0000308  0.0000118 -0.0000028
  0.0008285 -0.0003090  0.0001455  0.0000706  0.0000269 -0.0000065
  0.0018155 -0.0006777  0.0003193  0.0001549  0.0000591 -0.0000142
  0.0038027 -0.0014240  0.0006710  0.0003257  0.0001243 -0.0000298
  0.0078208 -0.0029420  0.0013882  0.0006737  0.0002570 -0.0000617
  0.0157226 -0.0059734  0.0028198  0.0013699  0.0005228 -0.0001255
  0.0311898 -0.0120130  0.0056938  0.0027647  0.0010547 -0.0002534
  0.0610612 -0.0241852  0.0114816  0.0055898  0.0021344 -0.0005121
  0.1167757 -0.0481702  0.0231237  0.0112482  0.0042925 -0.0010317
  0.2093711 -0.0939541  0.0454424  0.0222594  0.0085110 -0.0020413
  0.3132768 -0.1607199  0.0804426  0.0394098  0.0150646 -0.0036243
  0.3070363 -0.1977545  0.1014274  0.0507519  0.0194927 -0.0046686
  0.1284376 -0.0041984 -0.0035719 -0.0037501 -0.0016002  0.0003571
  0.0094732  0.4955776 -0.4187375 -0.2303403 -0.0903930  0.0218465
  0.0002394  0.5470838 -0.5962181 -0.3694265 -0.1490329  0.0358900
 -0.0003020  0.0998510  0.4430861  0.4307726  0.1915752 -0.0465149
  0.0001664 -0.0151171  0.8335879  1.0028499  0.4731165 -0.1172484
 -0.0000810  0.0050670  0.1183673 -0.5948668 -0.4110173  0.1069372
  0.0000425 -0.0022831 -0.0139550 -0.8733133 -0.7567972  0.2029014
 -0.0000134  0.0006704  0.0035427 -0.0570593  0.7172613 -0.2352054
  0.0000062 -0.0003132 -0.0016425  0.0137610  0.6134338 -0.3785756
 -0.0000016  0.0000807  0.0004025 -0.0029081  0.0184312  0.6959891
  0.0000008 -0.0000390 -0.0001946  0.0013782 -0.0063261  0.4679346
* P-type functions
   23    4    3
 5.4522375D+07 7.7564022D+06 1.5914503D+06 4.0199082D+05 1.1840033D+05
 3.9288989D+04 1.4434444D+04 5.7896417D+03 2.4978170D+03 1.1436688D+03
 5.5153591D+02 2.7768476D+02 1.4498333D+02 7.7528112D+01 4.1794548D+01
 2.3212546D+01 1.2922397D+01 7.0191983D+00 3.7516719D+00 1.9301856D+00
 9.2262189D-01 4.2161742D-01 1.7537191D-01
  0.0000076 -0.0000038 -0.0000018 -0.0000006
  0.0000252 -0.0000127 -0.0000061 -0.0000020
  0.0000743 -0.0000373 -0.0000178 -0.0000060
  0.0002052 -0.0001033 -0.0000494 -0.0000166
  0.0005565 -0.0002807 -0.0001343 -0.0000450
  0.0015201 -0.0007695 -0.0003686 -0.0001237
  0.0042022 -0.0021385 -0.0010251 -0.0003440
  0.0116766 -0.0059927 -0.0028798 -0.0009667
  0.0319629 -0.0166372 -0.0080147 -0.0026922
  0.0816320 -0.0435683 -0.0211296 -0.0071052
  0.1782898 -0.0989491 -0.0483763 -0.0162990
  0.3007287 -0.1758045 -0.0872676 -0.0294787
  0.3361353 -0.1949917 -0.0959788 -0.0323851
  0.2014290 -0.0032859  0.0185438  0.0077758
  0.0469497  0.3680963  0.2729436  0.0996442
  0.0021383  0.4886964  0.3940934  0.1465764
  0.0003172  0.2203050 -0.0081142 -0.0248075
 -0.0002249  0.0308632 -0.5257252 -0.2568381
  0.0000284  0.0015258 -0.4999586 -0.2852881
 -0.0000299  0.0002848 -0.1378703  0.0623134
  0.0000112 -0.0000251 -0.0075346  0.4946682
 -0.0000039  0.0000086 -0.0007899  0.5003459
  0.0000009 -0.0000002  0.0001435  0.1273297
* D-type functions
   15    2    2
 1.8187932D+04 4.6937060D+03 1.5745195D+03 6.3046752D+02 2.8453395D+02
 1.3857521D+02 7.0877663D+01 3.7391735D+01 2.0235405D+01 1.0979157D+01
 5.8495286D+00 3.0566918D+00 1.5229958D+00 6.5156983D-01 8.5728077D-02
  0.0000653 -0.0000315
  0.0004965 -0.0002408
  0.0030959 -0.0015043
  0.0147855 -0.0072487
  0.0533919 -0.0264222
  0.1456631 -0.0736181
  0.2835102 -0.1427357
  0.3642756 -0.1714365
  0.2599438 -0.0296759
  0.0858883  0.2654354
  0.0101726  0.4381655
  0.0008431  0.3270260
  0.0001670  0.1091691
  0.0000547  0.0110874
  0.0000018  0.0001275
* F-type functions
   10    1    0
 9.3647925D+02 2.3616785D+02 8.8823830D+01 3.8899260D+01 1.8234384D+01
 8.7416685D+00 4.0993797D+00 1.8355451D+00 7.5881066D-01 2.7270801D-01
 -0.0001883
 -0.0030612
 -0.0200904
 -0.0740193
 -0.1834065
 -0.2984601
 -0.3410314
 -0.2866114
 -0.1793203
 -0.0689486
*
End

*
/Lu.ECP.Tsuchiya.14s10p9d8f.2s1p1d1f.25e-DK3-AIMP.
Takashi Tsuchiya, Takahito Nakajima, Kimihiko Hirao and Luis Seijo,
Chem. Phys. Lett. 361 (2002) 334
*
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Lu(2D)
*
 25.000000            3

* S-type functions
   14    2
  2906822.1930000000
   256696.5921000000
    30293.4074900000
     5418.5228230000
     1292.6042700000
      166.2930565000
       98.9628045000
       22.7255033600
        4.5193855750
        1.4322584360
        0.9039103839
        0.3837823424
        0.0799762698
        0.0312277313
      0.000182184800 -0.000047354355
      0.000883244490 -0.000229575610
      0.003762381400 -0.000978014440
      0.012958392000 -0.003368575900
      0.030296066000 -0.007879235100
     -0.082158239000  0.021501779000
     -0.122985740000  0.032045344000
      0.542722030000 -0.144425870000
     -0.973664600000  0.281312300000
     -0.247859780000  0.092465205000
      1.012531300000 -0.409576190000
      0.459183050000 -0.329972610000
      0.011082962000  0.683696490000
     -0.002720564000  0.513704350000
* P-type functions
   10    1
     3620.7028750000
      781.2358070000
      236.7234551000
       35.3800940000
       13.2683858100
       10.3069638800
        4.4989093690
        1.0421013270
        0.4687225403
        0.1877207916
      0.003932855900
      0.021213912000
      0.055222020000
     -0.185727270000
     -0.250525890000
      0.375326580000
      0.363973140000
     -0.504741190000
     -0.530434450000
     -0.121081600000
* D-type functions
    9    1
      489.7442726000
      140.3791930000
       50.4424239400
        9.3256182500
        4.5996167160
        0.9677993448
        0.3827992147
        0.1442481320
        0.0502675405
      0.003872043500
      0.022246230000
      0.047969648000
     -0.091762832000
     -0.094997639000
      0.216716800000
      0.401114380000
      0.427552700000
      0.226547650000
* F-type functions
    8    1
      229.1792495000
       77.8860950500
       31.9838232500
       14.3073388200
        6.5136042790
        2.8869483280
        1.1968582480
        0.4351746726
      0.004246414400
      0.031234756000
      0.115623580000
      0.257579650000
      0.357048840000
      0.342560820000
      0.228881300000
      0.088610531000
*
* Core AIMP:Lu DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
   13
    555615.444
    121865.977
    37949.0070
    13093.0390
    4859.53168
    1842.19790
    712.112237
    322.912406
    112.075937
    56.5836512
    2.70833758
    10.3646960
    5.56055187

   .022963830869
   .020135812037
   .032712158176
   .050310489231
   .068412418760
   .084975149089
   .149401586607
   .194473938991
   .154451259122
   .455204617800
   .015085860787
   .398262744809
   .193610133722
M2
    0
COREREP
  1.0
PROJOP
    2
   27    4
    4679.420800     806.333100     186.993626      39.378544
    .670131190E+11
    .721671780E+10
    .117152920E+10
    235233120.
    55877724.0
    14949778.0
    4363017.00
    1375340.50
    456540.520
    160435.370
    59637.1040
    23233.1440
    9474.04090
    4032.73130
    1779.75390
    807.877680
    374.926070
    172.162270
    81.7590540
    34.0462020
    17.6735980
    7.08409260
    3.47950730
    .993165250
    .445832140
    .772130350E-01
    .305335220E-01
   .000005068864  -.000001906306   .000000900292   .000000438192
   .000018877434  -.000007085714   .000003345141   .000001628126
   .000058264326  -.000021840485   .000010309860   .000005017397
   .000157705999  -.000059071978   .000027878415   .000013568039
   .000382454837  -.000143191849   .000067585036   .000032889008
   .000877173742  -.000328566977   .000155058351   .000075467278
   .001901789984  -.000713130814   .000336707652   .000163854940
   .003994899866  -.001502703087   .000709536523   .000345416629
   .008247124329  -.003117070873   .001473982907   .000717412078
   .016454239859  -.006281475845   .002971674714   .001447830797
   .032488004721  -.012580293889   .005976321727   .002910265194
   .063571851454  -.025323224777   .012049774055   .005883975788
   .120921588962  -.050246135557   .024185724111   .011799004975
   .213869588164  -.096778781148   .046937617215   .023067933951
   .315273377293  -.163524858560   .082164501376   .040369745915
   .302332067404  -.195370318279   .100379610460   .050440944894
   .120476528966   .011870046895  -.013680640063  -.009226128281
   .007502277936   .504488675557  -.432117841979  -.238849789497
   .000642652074   .532890695307  -.581136482661  -.363057679235
  -.000515698856   .095235854161   .467413022141   .460064289030
   .000298095727  -.014671988871   .817086743742   .984810307924
  -.000142644409   .005006449456   .114969230527  -.617793408698
   .000073522143  -.002333245879  -.014444570066  -.854754008198
  -.000024483046   .000728723594   .003870183518  -.057147940880
   .000011638408  -.000343501697  -.001808526708   .013182255972
  -.000002970252   .000087168567   .000436059192  -.002691890294
   .000001366522  -.000040064158  -.000200172241   .001204363397
   23    3
     710.570420     157.623254      29.530720
    55602773.0
    7765745.90
    1589584.30
    401810.950
    118603.340
    39300.0000
    14430.3540
    5793.12460
    2497.82150
    1143.71730
    551.397710
    277.750140
    145.030330
    77.4474560
    41.7501550
    23.2269480
    12.9363870
    7.02606490
    3.74450470
    1.89919080
    .914634740
    .422673690
    .173336360
   .000008053016  -.000004051209  -.000001943161
   .000027096331  -.000013639463  -.000006543219
   .000079399905  -.000040008698  -.000019196357
   .000218559082  -.000110311940  -.000052954858
   .000591128954  -.000299093889  -.000143624051
   .001617836812  -.000821596458  -.000395008723
   .004448905033  -.002271665996  -.001092913009
   .012328608092  -.006349629788  -.003063158026
   .033629674250  -.017575214967  -.008499295471
   .085355033635  -.045762529913  -.022287580186
   .184625391374  -.103010229804  -.050573176423
   .306169282278  -.179911999658  -.089732460750
   .333940982485  -.192212169634  -.094520253790
   .191867411428   .015538134970   .030471174255
   .041383180308   .389485639259   .292083642440
   .001845875014   .478694159089   .385734733223
   .000145632291   .202736579614  -.045237416378
  -.000134739291   .026119542950  -.546010134562
  -.000015299491   .001464321997  -.482237564029
  -.000006162648   .000151815930  -.117945340985
   .000001771210   .000004428836  -.004264897136
  -.000000219258  -.000005847205  -.000945507508
   .000000058151   .000002491411   .000207407562
   15    2
     121.445328      16.295185
    16241.4930
    4278.98820
    1524.59710
    640.857710
    295.565520
    143.526580
    71.8961750
    36.6570750
    18.8842370
    9.51045680
    4.62082260
    2.11200860
    .751684360
    .251402700
    .754719150E-01
   .000085219620  -.000041413658
   .000603949358  -.000295464710
   .003323221987  -.001624035399
   .014679301941  -.007257516096
   .052566813788  -.026161814987
   .148478199402  -.075643815963
   .301108628787  -.152389289926
   .388476238436  -.180816369912
   .249943248993   .020911205990
   .059022357762   .386050669812
   .003147909887   .487287969763
   .000573161398   .223357199891
  -.000002711664   .021252605990
   .000021873356  -.001399126599
  -.000006302991   .000461047270
*
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
*
* Spin-Orbit-Core basis set:
*
* /Lu.DK3.Tsuchiya.27s23p15d10f.6s4p3d1f.
* Takashi Tsuchiya, Minori Abe, Takahito Nakajima and Kimihoko Hirao,
* J. Chem. Phys., 115, 4463 (2001)
*
   3
* S-type functions
   27    6    4
 6.7013119D+10 7.2167178D+09 1.1715292D+09 2.3523312D+08 5.5877724D+07
 1.4949778D+07 4.3630170D+06 1.3753405D+06 4.5654052D+05 1.6043537D+05
 5.9637104D+04 2.3233144D+04 9.4740409D+03 4.0327313D+03 1.7797539D+03
 8.0787768D+02 3.7492607D+02 1.7216227D+02 8.1759054D+01 3.4046202D+01
 1.7673598D+01 7.0840926D+00 3.4795073D+00 9.9316525D-01 4.4583214D-01
 7.7213035D-02 3.0533522D-02
  0.0000051 -0.0000019  0.0000009  0.0000004 -0.0000002  0.0000000
  0.0000189 -0.0000071  0.0000033  0.0000016 -0.0000006  0.0000002
  0.0000583 -0.0000218  0.0000103  0.0000050 -0.0000019  0.0000005
  0.0001577 -0.0000591  0.0000279  0.0000136 -0.0000053  0.0000014
  0.0003825 -0.0001432  0.0000676  0.0000329 -0.0000128  0.0000033
  0.0008772 -0.0003286  0.0001551  0.0000755 -0.0000293  0.0000076
  0.0019018 -0.0007131  0.0003367  0.0001639 -0.0000636  0.0000165
  0.0039949 -0.0015027  0.0007095  0.0003454 -0.0001342  0.0000348
  0.0082471 -0.0031171  0.0014740  0.0007174 -0.0002787  0.0000724
  0.0164542 -0.0062815  0.0029717  0.0014478 -0.0005626  0.0001460
  0.0324880 -0.0125803  0.0059763  0.0029103 -0.0011304  0.0002936
  0.0635719 -0.0253232  0.0120498  0.0058840 -0.0022877  0.0005938
  0.1209216 -0.0502461  0.0241857  0.0117990 -0.0045846  0.0011910
  0.2138696 -0.0967788  0.0469376  0.0230679 -0.0089825  0.0023311
  0.3152734 -0.1635249  0.0821645  0.0403697 -0.0157106  0.0040836
  0.3023321 -0.1953703  0.1003796  0.0504409 -0.0197404  0.0051224
  0.1204765  0.0118700 -0.0136806 -0.0092261  0.0038277 -0.0009876
  0.0075023  0.5044887 -0.4321178 -0.2388498  0.0954559 -0.0249019
  0.0006427  0.5328907 -0.5811365 -0.3630577  0.1495102 -0.0390680
 -0.0005157  0.0952358  0.4674130  0.4600643 -0.2093811  0.0553969
  0.0002981 -0.0146720  0.8170867  0.9848103 -0.4733789  0.1265645
 -0.0001426  0.0050065  0.1149692 -0.6177934  0.4342762 -0.1215094
  0.0000735 -0.0023332 -0.0144446 -0.8547540  0.7698560 -0.2278067
 -0.0000245  0.0007287  0.0038702 -0.0571479 -0.7064890  0.2630686
  0.0000116 -0.0003435 -0.0018085  0.0131822 -0.6383991  0.4087380
 -0.0000030  0.0000872  0.0004360 -0.0026920 -0.0224235 -0.6913818
  0.0000014 -0.0000401 -0.0002001  0.0012044  0.0069976 -0.4912698
* P-type functions
   23    4    3
 5.5602773D+07 7.7657459D+06 1.5895843D+06 4.0181095D+05 1.1860334D+05
 3.9300000D+04 1.4430354D+04 5.7931246D+03 2.4978215D+03 1.1437173D+03
 5.5139771D+02 2.7775014D+02 1.4503033D+02 7.7447456D+01 4.1750155D+01
 2.3226948D+01 1.2936387D+01 7.0260649D+00 3.7445047D+00 1.8991908D+00
 9.1463474D-01 4.2267369D-01 1.7333636D-01
  0.0000081 -0.0000041 -0.0000019 -0.0000007
  0.0000271 -0.0000136 -0.0000065 -0.0000023
  0.0000794 -0.0000400 -0.0000192 -0.0000066
  0.0002186 -0.0001103 -0.0000530 -0.0000183
  0.0005911 -0.0002991 -0.0001436 -0.0000495
  0.0016178 -0.0008216 -0.0003950 -0.0001363
  0.0044489 -0.0022717 -0.0010929 -0.0003772
  0.0123286 -0.0063496 -0.0030632 -0.0010576
  0.0336297 -0.0175752 -0.0084993 -0.0029362
  0.0853550 -0.0457625 -0.0222876 -0.0077097
  0.1846254 -0.1030102 -0.0505732 -0.0175250
  0.3061693 -0.1799120 -0.0897325 -0.0311900
  0.3339410 -0.1922122 -0.0945203 -0.0327554
  0.1918674  0.0155381  0.0304712  0.0123265
  0.0413832  0.3894856  0.2920836  0.1101100
  0.0018459  0.4786942  0.3857347  0.1471518
  0.0001456  0.2027366 -0.0452374 -0.0419622
 -0.0001347  0.0261195 -0.5460101 -0.2776896
 -0.0000153  0.0014643 -0.4822376 -0.2855291
 -0.0000062  0.0001518 -0.1179453  0.1086467
  0.0000018  0.0000044 -0.0042649  0.5364111
 -0.0000002 -0.0000058 -0.0009455  0.4616558
  0.0000001  0.0000025  0.0002074  0.0932713
* D-type functions
   15    3    2
 1.6241493D+04 4.2789882D+03 1.5245971D+03 6.4085771D+02 2.9556552D+02
 1.4352658D+02 7.1896175D+01 3.6657075D+01 1.8884237D+01 9.5104568D+00
 4.6208226D+00 2.1120086D+00 7.5168436D-01 2.5140270D-01 7.5471915D-02
  0.0000852 -0.0000414  0.0000075
  0.0006039 -0.0002955  0.0000550
  0.0033232 -0.0016240  0.0002953
  0.0146793 -0.0072575  0.0013510
  0.0525668 -0.0261618  0.0047763
  0.1484782 -0.0756438  0.0141333
  0.3011086 -0.1523893  0.0278038
  0.3884762 -0.1808164  0.0338000
  0.2499433  0.0209112 -0.0110891
  0.0590224  0.3860507 -0.0813242
  0.0031479  0.4872880 -0.1108898
  0.0005732  0.2233572  0.0313446
 -0.0000027  0.0212526  0.3196606
  0.0000219 -0.0013991  0.5155096
 -0.0000063  0.0004610  0.3965297
* F-type functions
   10    1    0
 1.5731113D+03 2.9592915D+02 1.0834588D+02 4.7088440D+01 2.1825954D+01
 1.0480024D+01 4.9886532D+00 2.3047615D+00 9.9952257D-01 3.8102157D-01
 -0.0000910
 -0.0021717
 -0.0153078
 -0.0617284
 -0.1658741
 -0.2878062
 -0.3424209
 -0.2963283
 -0.1869062
 -0.0690409
*
End

*                                                                              *
*
********************************************************************************
*         C.3.3.2.a. Actinide Elements (core [Xe,4f,5d])                       *
********************************************************************************
*  Please, report any bug, deficiency, or suggestion regarding this library    *
*  to Jozef Paulovic (paulovic@qcl.t.u-tokyo.ac.jp). Thank you.                *
********************************************************************************
*
/Th.ECP.Paulovic.14s10p11d9f.2s1p1d1f.12e-DK3-AIMP.
Jozef Paulovic, Takahito Nakajima, Kimihiko Hirao and Luis Seijo
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on ThQR(5I)
*
 12.000000         3

* S-type functions
   14    6
   8512891.975000000
    767884.522600000
     90317.256910000
     14753.286140000
      3100.225464000
       250.647994700
        42.518220930
         9.963999141
         2.320831126
         1.547940618
         0.499858484
         0.245156285
         0.066572643
         0.027202726
     -0.000155422810     -0.000046982137 0.0 0.0 0.0 0.0
     -0.000645641220     -0.000195171630 0.0 0.0 0.0 0.0
     -0.002329555800     -0.000704189980 0.0 0.0 0.0 0.0
     -0.007129854600     -0.002155486300 0.0 0.0 0.0 0.0
     -0.016743782000     -0.005061493700 0.0 0.0 0.0 0.0
      0.109074000000      0.033030518000 0.0 0.0 0.0 0.0
     -0.348263970000     -0.106296400000 0.0 0.0 0.0 0.0
      0.768069250000      0.241110230000 0.0 0.0 0.0 0.0
     -1.102021900000     -0.391500110000 0.0 0.0 0.0 0.0
     -0.203617650000     -0.060041188000 0.0 0.0 0.0 0.0
      0.915597150000      0.457695280000 1.0 0.0 0.0 0.0
      0.463898450000      0.378391930000 0.0 1.0 0.0 0.0
      0.021660468000     -0.549979570000 0.0 0.0 1.0 0.0
     -0.003320962600     -0.692738480000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
      8981.674657000
      1674.725772000
       461.930565300
        62.266742850
        11.938487280
         2.792163503
         1.722261992
         0.534010162
         0.248277282
         0.098640483
      0.002043376500 0.0 0.0 0.0 0.0
      0.011342711000 0.0 0.0 0.0 0.0
      0.032218830000 0.0 0.0 0.0 0.0
     -0.125903090000 0.0 0.0 0.0 0.0
      0.312743250000 0.0 0.0 0.0 0.0
     -0.427345430000 0.0 0.0 0.0 0.0
     -0.237961580000 1.0 0.0 0.0 0.0
      0.587403070000 0.0 1.0 0.0 0.0
      0.517656300000 0.0 0.0 1.0 0.0
      0.087570657000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
       935.193416500
       267.757559300
        98.108591530
        17.591086760
         7.029353271
         4.559033891
         1.935723031
         0.412689821
         0.192599199
         0.083603812
         0.031806457
     -0.002179609100 0.0 0.0 0.0 0.0
     -0.012427423000 0.0 0.0 0.0 0.0
     -0.028295519000 0.0 0.0 0.0 0.0
      0.074722560000 0.0 0.0 0.0 0.0
      0.077980765000 0.0 0.0 0.0 0.0
     -0.120631130000 0.0 0.0 0.0 0.0
     -0.183758170000 0.0 0.0 0.0 0.0
      0.248068370000 1.0 0.0 0.0 0.0
      0.390863660000 0.0 1.0 0.0 0.0
      0.409684320000 0.0 0.0 1.0 0.0
      0.169630460000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       261.207620100
        88.052071960
        35.661887890
        15.249580640
         2.996301688
         1.317336570
         0.558094773
         0.217369872
         0.072569778
     -0.004747943300 0.0 0.0 0.0
     -0.029287439000 0.0 0.0 0.0
     -0.083675203000 0.0 0.0 0.0
     -0.110290510000 0.0 0.0 0.0
      0.226679630000 0.0 0.0 0.0
      0.388224550000 0.0 0.0 0.0
      0.380847780000 1.0 0.0 0.0
      0.254462550000 0.0 1.0 0.0
      0.100131860000 0.0 0.0 1.0
*
* Core AIMP:Th DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    568901.112000000
    119839.342000000
     36398.879400000
     12258.009500000
      4341.229500000
      1574.787350000
       664.677338000
       244.591893000
       112.413471000
        23.636736900
        15.745456900
         4.510015010
         2.517330800
         1.288759870
      0.076662432473
      0.068864062303
      0.108615656176
      0.155671781634
      0.202548258509
      0.332576445501
      0.496986007719
      0.368591797852
      1.172752122994
      1.331259223024
      0.763980940002
      0.796075918866
      0.559315895081
      0.066099457867
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    8120.278400    1518.202240     386.610640     100.520868      23.170256
 3266531300000.000000000
  310476820000.000000000
   48590502000.000000000
   10009456000.000000000
    2503116700.000000000
     726985140.000000000
     241498670.000000000
      86685553.000000000
      30891912.000000000
      10737389.000000000
       3721407.300000000
       1313761.000000000
        479917.370000000
        184601.850000000
         75356.435000000
         32757.509000000
         15103.318000000
          7258.401200000
          3578.812400000
          1803.324700000
           924.238470000
           469.588690000
           243.086110000
           126.335710000
            70.381385000
            39.224859000
            21.170957000
            12.267199000
             6.809584400
             3.211615200
             1.637774700
             0.759349180
             0.333784050
             0.076225497
             0.030635439
    0.000001500000   -0.000000600000    0.000000300000    0.000000200000   -0.000000100000
    0.000005999999   -0.000002500000    0.000001200000    0.000000600000   -0.000000300000
    0.000017699998   -0.000007400000    0.000003600000    0.000001900000   -0.000000900000
    0.000044199996   -0.000018300001    0.000008900000    0.000004600000   -0.000002300000
    0.000097899990   -0.000040400001    0.000019700000    0.000010200000   -0.000005000000
    0.000195499980   -0.000080600003    0.000039300000    0.000020299999   -0.000009900001
    0.000358099964   -0.000147500005    0.000071900000    0.000037099999   -0.000018100001
    0.000671999933   -0.000276600009    0.000134700000    0.000069599998   -0.000034000002
    0.001334199867   -0.000548900018    0.000267400000    0.000138099996   -0.000067400004
    0.002650699735   -0.001090900036    0.000531400001    0.000274499992   -0.000134000008
    0.005143399486   -0.002120100070    0.001033000002    0.000533599984   -0.000260500015
    0.009718999029   -0.004020900133    0.001960500003    0.001012699969   -0.000494400028
    0.017709398230   -0.007376700244    0.003600800006    0.001860799943   -0.000908600052
    0.030912396911   -0.013026300432    0.006371600010    0.003293999899   -0.001608300092
    0.051852394819   -0.022252000737    0.010918300017    0.005650299827   -0.002760200158
    0.083127091694   -0.036690101216    0.018093700029    0.009371399712   -0.004577100262
    0.128110087199   -0.058947201953    0.029281800046    0.015206199533   -0.007437700426
    0.189100281105   -0.092717403073    0.046619200074    0.024251899256   -0.011852200679
    0.250210274999   -0.134478004456    0.068782100109    0.036018698895   -0.017673401012
    0.258867874134   -0.154084605106    0.080550300128    0.042238298704   -0.020642801182
    0.168982883115   -0.069094902290    0.030718600049    0.015631099520   -0.007736500443
    0.045390395465    0.222236707365   -0.178078400282   -0.104862796782    0.053341803056
    0.000577799942    0.522106317302   -0.509857400807   -0.314387190352    0.160149809174
    0.001154399885    0.351340111643   -0.404611100641   -0.275431391548    0.147974108476
   -0.000943799906    0.048082301593    0.410835400650    0.413052587325   -0.247345014169
    0.000630399937    0.011366900377    0.749854601187    0.986382469731   -0.609792334931
   -0.000461899954   -0.006148200204    0.270014900427    0.190941794141   -0.122772807033
    0.000317599968    0.003919600130    0.001061600002   -0.923540671659    0.965008955278
   -0.000152199985   -0.001999400066    0.008223600013   -0.595841881715    0.853257948877
    0.000066899993    0.000896900030   -0.003142400005   -0.054198098337   -0.894314251229
   -0.000034799997   -0.000451700015    0.001403500002    0.004659999857   -0.759312543496
    0.000013799999    0.000180600006   -0.000571100001   -0.001587299951   -0.037414002143
   -0.000004200000   -0.000056700002    0.000184400000    0.000508199984   -0.003592300206
    0.000001000000    0.000013600000   -0.000043200000   -0.000099699997    0.000903700052
   -0.000000400000   -0.000005500000    0.000017400000    0.000040299999   -0.000379200022
   26    4
    1278.241220     318.527300      77.833364      16.018769
 513699160.000000000
  72421457.000000000
  14656467.000000000
   3626770.800000000
   1033739.100000000
    328733.080000000
    114502.160000000
     43192.758000000
     17522.322000000
      7571.817000000
      3457.325600000
      1654.561700000
       825.216100000
       426.981170000
       227.712040000
       123.677730000
        68.086756000
        37.999418000
        20.919841000
        11.374482000
         6.156415100
         3.185986500
         1.629123100
         0.737127070
         0.347296670
         0.142576020
    0.000005400000   -0.000002900000   -0.000001500000   -0.000000700000
    0.000017300000   -0.000009100000   -0.000004700000   -0.000002200000
    0.000047500000   -0.000025000001   -0.000012899999   -0.000006100000
    0.000119500001   -0.000063000002   -0.000032599999   -0.000015400001
    0.000286900002   -0.000151500004   -0.000078499997   -0.000037000001
    0.000673200004   -0.000356400009   -0.000184799992   -0.000087000003
    0.001574100009   -0.000836400021   -0.000434199981   -0.000204400008
    0.003695200021   -0.001973700051   -0.001025799956   -0.000483400018
    0.008756300050   -0.004711700121   -0.002452999895   -0.001155400043
    0.020863900118   -0.011349200292   -0.005925699746   -0.002796600105
    0.049025900278   -0.027129600697   -0.014222499390   -0.006708000251
    0.108519900614   -0.061676901585   -0.032566398604   -0.015421100578
    0.208445801180   -0.123003303161   -0.065557097189   -0.031026601162
    0.311351801763   -0.191089004911   -0.103104995580   -0.049176201842
    0.307307101740   -0.167003904292   -0.085245396345   -0.039546801482
    0.159426300903    0.083280402140    0.084605496373    0.044844701680
    0.029395000166    0.445950211461    0.380605383683    0.205024607682
    0.001489600008    0.444154311415    0.364017784394    0.184377006908
   -0.000290800002    0.148030803804   -0.232719790023   -0.186387506983
    0.000072700000    0.010445900268   -0.664258971522   -0.578129121661
   -0.000094400001    0.001155300030   -0.324296086097   -0.165023606183
    0.000059200000   -0.000563800014   -0.034051798540    0.650295924365
   -0.000022200000    0.000165100004   -0.000477299980    0.549399920584
    0.000011200000   -0.000087600002    0.000041199998    0.077902702919
   -0.000004700000    0.000037900001    0.000026799999   -0.002822200106
    0.000001100000   -0.000009200000   -0.000005300000    0.000606600023
   18    3
     253.465240      52.954426       7.649783
     49771.507000000
     11053.506000000
      3578.198300000
      1429.370700000
       649.336760000
       320.596360000
       168.355030000
        91.705636000
        50.842652000
        27.986806000
        15.002607000
         8.004784700
         4.167399700
         2.109229900
         1.022658500
         0.433639140
         0.174162640
         0.062967716
    0.000060700000    0.000033600000    0.000014400000
    0.000456900003    0.000253500000    0.000109199999
    0.002477200017    0.001379099998    0.000593399993
    0.010746000072    0.006026999991    0.002603599970
    0.037691000253    0.021337699969    0.009213499895
    0.104562900702    0.060288399912    0.026215699702
    0.218394201466    0.126958699816    0.055088799375
    0.331023302222    0.187089899728    0.081203599078
    0.321100602155    0.127492999815    0.046890299468
    0.160333601076   -0.164826899761   -0.103846898821
    0.029627500199   -0.467794499321   -0.269803896938
    0.001072800007   -0.393132299429   -0.173256098033
    0.000233400002   -0.112356499837    0.279139596832
   -0.000072000000   -0.005999699991    0.554598393705
    0.000029600000   -0.000290100000    0.315566296418
   -0.000008300000    0.000212700000    0.042988699512
    0.000003900000   -0.000054600000   -0.001463399983
   -0.000001000000    0.000018700000    0.000627699993
   13    1
      26.702214
      1857.719400000
       625.838830000
       264.916410000
       126.381650000
        64.328107000
        34.317857000
        18.703377000
        10.310295000
         5.539087100
         4.393223000
         3.353148900
         1.725151900
         0.831617550
    0.000203100007
    0.001862900060
    0.010813200349
    0.042612401376
    0.118426503824
    0.233825907551
    0.321889810395
    0.309676610000
    0.220981807136
   -0.062964202033
    0.087167402815
    0.009679900313
    0.000222100007
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Th.AE.Paulovic.35s26p18d13f.7s5p4d2f.90e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
0.32665313D+13 0.31047682D+12 0.48590502D+11 0.10009456D+11 0.25031167D+10 0.72698514D+09
0.24149867D+09 0.86685553D+08 0.30891912D+08 0.10736438D+08 0.37214073D+07 0.13137931D+07
0.47991737D+06 0.18460185D+06 0.75363794D+05 0.32757509D+05 0.15101935D+05 0.72573380D+04
0.35784629D+04 0.18033247D+04 0.92423283D+03 0.46958726D+03 0.24308351D+03 0.12633571D+03
0.70381385D+02 0.39224799D+02 0.21170957D+02 0.12267566D+02 0.68095844D+01 0.32113604D+01
0.16377797D+01 0.75934977D+00 0.33378571D+00 0.76231452D-01 0.30634691D-01
 0.0000015 -0.0000006  0.0000003  0.0000002 -0.0000001  0.0000000  0.0000000 0.0 0.0 0.0 0.0
 0.0000060 -0.0000025  0.0000012  0.0000006 -0.0000003  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000177 -0.0000074  0.0000036  0.0000019 -0.0000009  0.0000004 -0.0000001 0.0 0.0 0.0 0.0
 0.0000442 -0.0000183  0.0000089  0.0000046 -0.0000023  0.0000010 -0.0000003 0.0 0.0 0.0 0.0
 0.0000979 -0.0000404  0.0000197  0.0000102 -0.0000050  0.0000022 -0.0000007 0.0 0.0 0.0 0.0
 0.0001955 -0.0000806  0.0000393  0.0000203 -0.0000099  0.0000043 -0.0000013 0.0 0.0 0.0 0.0
 0.0003581 -0.0001475  0.0000719  0.0000371 -0.0000181  0.0000079 -0.0000024 0.0 0.0 0.0 0.0
 0.0006720 -0.0002766  0.0001347  0.0000696 -0.0000339  0.0000148 -0.0000045 0.0 0.0 0.0 0.0
 0.0013343 -0.0005490  0.0002674  0.0001381 -0.0000674  0.0000293 -0.0000088 0.0 0.0 0.0 0.0
 0.0026508 -0.0010910  0.0005314  0.0002744 -0.0001338  0.0000583 -0.0000176 0.0 0.0 0.0 0.0
 0.0051430 -0.0021200  0.0010329  0.0005335 -0.0002602  0.0001133 -0.0000342 0.0 0.0 0.0 0.0
 0.0097189 -0.0040209  0.0019604  0.0010126 -0.0004939  0.0002151 -0.0000649 0.0 0.0 0.0 0.0
 0.0177103 -0.0073771  0.0036010  0.0018608 -0.0009077  0.0003953 -0.0001192 0.0 0.0 0.0 0.0
 0.0309096 -0.0130252  0.0063710  0.0032934 -0.0016065  0.0006996 -0.0002111 0.0 0.0 0.0 0.0
 0.0518479 -0.0222502  0.0109173  0.0056493 -0.0027571  0.0012011 -0.0003621 0.0 0.0 0.0 0.0
 0.0831422 -0.0366969  0.0180970  0.0093723 -0.0045730  0.0019915 -0.0006014 0.0 0.0 0.0 0.0
 0.1281268 -0.0589557  0.0292860  0.0152070 -0.0074312  0.0032391 -0.0009753 0.0 0.0 0.0 0.0
 0.1891234 -0.0927306  0.0466257  0.0242530 -0.0118405  0.0051549 -0.0015599 0.0 0.0 0.0 0.0
 0.2501766 -0.1344633  0.0687745  0.0360119 -0.0176548  0.0077063 -0.0023134 0.0 0.0 0.0 0.0
 0.2588503 -0.1540740  0.0805445  0.0422305 -0.0206147  0.0089611 -0.0027300 0.0 0.0 0.0 0.0
 0.1689898 -0.0691008  0.0307213  0.0156331 -0.0077394  0.0034253 -0.0009757 0.0 0.0 0.0 0.0
 0.0453843  0.2222506 -0.1780890 -0.1048631  0.0533112 -0.0235445  0.0069855 0.0 0.0 0.0 0.0
 0.0005814  0.5221146 -0.5098740 -0.3143599  0.1599300 -0.0701218  0.0214758 0.0 0.0 0.0 0.0
 0.0011514  0.3513256 -0.4045678 -0.2753858  0.1479238 -0.0665111  0.0194362 0.0 0.0 0.0 0.0
-0.0009410  0.0480773  0.4108304  0.4130635 -0.2473632  0.1144059 -0.0332659 0.0 0.0 0.0 0.0
 0.0006285  0.0113663  0.7498478  0.9860136 -0.6084339  0.2774204 -0.0872957 0.0 0.0 0.0 0.0
-0.0004605 -0.0061468  0.2700097  0.1913410 -0.1239065  0.0669073 -0.0150192 0.0 0.0 0.0 0.0
 0.0003167  0.0039196  0.0010621 -0.9233565  0.9653878 -0.5223227  0.1536560 0.0 0.0 0.0 0.0
-0.0001517 -0.0019989  0.0082235 -0.5962591  0.8501597 -0.4765744  0.1623066 0.0 0.0 0.0 0.0
 0.0000667  0.0008964 -0.0031399 -0.0540259 -0.8899947  0.7208145 -0.2591837 0.0 0.0 0.0 0.0
-0.0000346 -0.0004518  0.0014038  0.0045948 -0.7584905  0.9277041 -0.3113479 0.0 0.0 0.0 0.0
 0.0000137  0.0001808 -0.0005724 -0.0015863 -0.0406280 -0.5841405  0.2269156 1.0 0.0 0.0 0.0
-0.0000043 -0.0000568  0.0001862  0.0005010 -0.0034353 -0.9363714  0.6310853 0.0 1.0 0.0 0.0
 0.0000010  0.0000137 -0.0000438 -0.0000962  0.0008250 -0.0666858 -0.3412368 0.0 0.0 1.0 0.0
-0.0000003 -0.0000056  0.0000162  0.0000398 -0.0003352  0.0154913 -0.8608566 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
0.50403531D+09 0.71937427D+08 0.14707036D+08 0.36476742D+07 0.10401546D+07 0.33006862D+06
0.11478557D+06 0.43267532D+05 0.17529801D+05 0.75699437D+04 0.34545854D+04 0.16530048D+04
0.82469367D+03 0.42712654D+03 0.22781286D+03 0.12357341D+03 0.67662396D+02 0.37601961D+02
0.20697325D+02 0.11311797D+02 0.61489984D+01 0.31868836D+01 0.16105858D+01 0.69768148D+00
0.32143152D+00 0.13160677D+00
 0.0000055 -0.0000029 -0.0000015 -0.0000007  0.0000003 0.0 0.0 0.0 0.0
 0.0000172 -0.0000091 -0.0000047 -0.0000022  0.0000009 0.0 0.0 0.0 0.0
 0.0000472 -0.0000248 -0.0000129 -0.0000060  0.0000024 0.0 0.0 0.0 0.0
 0.0001189 -0.0000627 -0.0000325 -0.0000153  0.0000060 0.0 0.0 0.0 0.0
 0.0002857 -0.0001509 -0.0000782 -0.0000367  0.0000144 0.0 0.0 0.0 0.0
 0.0006724 -0.0003560 -0.0001846 -0.0000868  0.0000341 0.0 0.0 0.0 0.0
 0.0015715 -0.0008351 -0.0004334 -0.0002037  0.0000801 0.0 0.0 0.0 0.0
 0.0036937 -0.0019728 -0.0010253 -0.0004823  0.0001895 0.0 0.0 0.0 0.0
 0.0087620 -0.0047150 -0.0024544 -0.0011543  0.0004539 0.0 0.0 0.0 0.0
 0.0208863 -0.0113606 -0.0059317 -0.0027946  0.0010983 0.0 0.0 0.0 0.0
 0.0490931 -0.0271700 -0.0142414 -0.0067072  0.0026387 0.0 0.0 0.0 0.0
 0.1086406 -0.0617404 -0.0326023 -0.0154105  0.0060585 0.0 0.0 0.0 0.0
 0.2083239 -0.1229595 -0.0655183 -0.0309666  0.0121982 0.0 0.0 0.0 0.0
 0.3109247 -0.1907583 -0.1029485 -0.0490016  0.0192713 0.0 0.0 0.0 0.0
 0.3076730 -0.1674643 -0.0854369 -0.0396312  0.0156197 0.0 0.0 0.0 0.0
 0.1597517  0.0849286  0.0857065  0.0454772 -0.0185289 0.0 0.0 0.0 0.0
 0.0292241  0.4525599  0.3869655  0.2078359 -0.0835475 0.0 0.0 0.0 0.0
 0.0012557  0.4418385  0.3585960  0.1811467 -0.0730621 0.0 0.0 0.0 0.0
-0.0002111  0.1426642 -0.2426988 -0.1935421  0.0857413 0.0 0.0 0.0 0.0
 0.0000283  0.0101749 -0.6588487 -0.5722399  0.2544616 0.0 0.0 0.0 0.0
-0.0000676  0.0009895 -0.3216537 -0.1638678  0.0608823 0.0 0.0 0.0 0.0
 0.0000436 -0.0004508 -0.0340673  0.6530326 -0.4166814 0.0 0.0 0.0 0.0
-0.0000135  0.0000982 -0.0005374  0.5532181 -0.3702480 1.0 0.0 0.0 0.0
 0.0000071 -0.0000565  0.0000384  0.0732776  0.4122759 0.0 1.0 0.0 0.0
-0.0000031  0.0000251  0.0000195 -0.0038421  0.6603260 0.0 0.0 1.0 0.0
 0.0000008 -0.0000062  0.0000000  0.0009912  0.1852227 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
0.41973409D+05 0.10775388D+05 0.35981590D+04 0.14488325D+04 0.65962817D+03 0.32474572D+03
0.16909981D+03 0.91285422D+02 0.50380712D+02 0.27761104D+02 0.14910281D+02 0.79460416D+01
0.40653089D+01 0.20218466D+01 0.94490733D+00 0.36076422D+00 0.13243647D+00 0.44559695D-01
 0.0000703  0.0000389  0.0000166 -0.0000039 0.0 0.0 0.0 0.0
 0.0004511  0.0002503  0.0001074 -0.0000255 0.0 0.0 0.0 0.0
 0.0024220  0.0013483  0.0005773 -0.0001361 0.0 0.0 0.0 0.0
 0.0104335  0.0058504  0.0025171 -0.0005983 0.0 0.0 0.0 0.0
 0.0367017  0.0207713  0.0089244 -0.0021043 0.0 0.0 0.0 0.0
 0.1035502  0.0596749  0.0258420 -0.0061523 0.0 0.0 0.0 0.0
 0.2208393  0.1283958  0.0554367 -0.0130547 0.0 0.0 0.0 0.0
 0.3357343  0.1895553  0.0819609 -0.0196139 0.0 0.0 0.0 0.0
 0.3202590  0.1252450  0.0452798 -0.0099992 0.0 0.0 0.0 0.0
 0.1570870 -0.1693590 -0.1051901  0.0252464 0.0 0.0 0.0 0.0
 0.0290220 -0.4678352 -0.2694980  0.0678722 0.0 0.0 0.0 0.0
 0.0009677 -0.3939242 -0.1681066  0.0358103 0.0 0.0 0.0 0.0
 0.0002583 -0.1091751  0.2986034 -0.0857223 0.0 0.0 0.0 0.0
-0.0000904 -0.0038880  0.5667545 -0.1823790 0.0 0.0 0.0 0.0
 0.0000329 -0.0006133  0.2967560 -0.0069626 1.0 0.0 0.0 0.0
-0.0000100  0.0002931  0.0315480  0.3544768 0.0 1.0 0.0 0.0
 0.0000041 -0.0000973 -0.0018447  0.5331169 0.0 0.0 1.0 0.0
-0.0000012  0.0000310  0.0006608  0.3198390 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
0.14637149D+04 0.54918563D+03 0.25830377D+03 0.12881563D+03 0.65078746D+02 0.33617001D+02
0.17434089D+02 0.89703815D+01 0.44671897D+01 0.86679767D+00 0.20320836D+01 0.33485906D+00
0.10866347D+00
-0.0003298  0.0000876 0.0 0.0 0.0
-0.0022001  0.0005873 0.0 0.0 0.0
-0.0102738  0.0027423 0.0 0.0 0.0
-0.0404037  0.0108243 0.0 0.0 0.0
-0.1205904  0.0323901 0.0 0.0 0.0
-0.2536932  0.0671198 0.0 0.0 0.0
-0.3596211  0.0874197 0.0 0.0 0.0
-0.3266203  0.0510836 0.0 0.0 0.0
-0.1564718 -0.1056925 0.0 0.0 0.0
 0.0004213 -0.4229769 0.0 0.0 0.0
-0.0244879 -0.3214023 1.0 0.0 0.0
-0.0003103 -0.3431838 0.0 1.0 0.0
 0.0000753 -0.1702335 0.0 0.0 1.0
*
End

*
/Pa.ECP.Paulovic.14s10p11d9f.2s1p1d1f.13e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on PaQR(6L)
*
 13.000000         3

* S-type functions
   14    6
  10704093.529999999
    949628.524600000
    120570.314700000
     17808.181510000
      3387.702974000
       257.895730100
        43.988366070
        10.353285370
         2.495056782
         1.577426765
         0.532780906
         0.247546246
         0.054626130
         0.022968340
      0.000145638260     -0.000040571374 0.0 0.0 0.0 0.0
      0.000570119270     -0.000158824170 0.0 0.0 0.0 0.0
      0.002043568700     -0.000569287880 0.0 0.0 0.0 0.0
      0.006905626600     -0.001923915300 0.0 0.0 0.0 0.0
      0.017194800000     -0.004790141200 0.0 0.0 0.0 0.0
     -0.109395520000      0.030527186000 0.0 0.0 0.0 0.0
      0.350876390000     -0.098653648000 0.0 0.0 0.0 0.0
     -0.775493780000      0.223954730000 0.0 0.0 0.0 0.0
      1.040085600000     -0.335720090000 0.0 0.0 0.0 0.0
      0.280518090000     -0.082849176000 0.0 0.0 0.0 0.0
     -0.908424000000      0.398696770000 1.0 0.0 0.0 0.0
     -0.491291750000      0.367679790000 0.0 1.0 0.0 0.0
     -0.014692436000     -0.652681020000 0.0 0.0 1.0 0.0
      0.002890111800     -0.559016940000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
      9007.422383000
      1688.917008000
       470.461420200
        64.333608270
        12.332054310
         2.947765816
         1.842296245
         0.544548601
         0.251511651
         0.105130823
      0.002118775900 0.0 0.0 0.0 0.0
      0.011538004000 0.0 0.0 0.0 0.0
      0.031922498000 0.0 0.0 0.0 0.0
     -0.125411660000 0.0 0.0 0.0 0.0
      0.312330730000 0.0 0.0 0.0 0.0
     -0.411681800000 0.0 0.0 0.0 0.0
     -0.237872530000 1.0 0.0 0.0 0.0
      0.579707430000 0.0 1.0 0.0 0.0
      0.507291800000 0.0 0.0 1.0 0.0
      0.097614797000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
       986.893655300
       279.907898700
       101.303331200
        18.249504230
         7.596947851
         4.598509494
         2.002896268
         0.442126318
         0.202970587
         0.081984635
         0.029564652
     -0.001745682900 0.0 0.0 0.0 0.0
     -0.010252619000 0.0 0.0 0.0 0.0
     -0.023767480000 0.0 0.0 0.0 0.0
      0.061494226000 0.0 0.0 0.0 0.0
      0.056831501000 0.0 0.0 0.0 0.0
     -0.094416415000 0.0 0.0 0.0 0.0
     -0.147628070000 0.0 0.0 0.0 0.0
      0.180226230000 1.0 0.0 0.0 0.0
      0.335086770000 0.0 1.0 0.0 0.0
      0.438847610000 0.0 0.0 1.0 0.0
      0.301304450000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       272.282343900
        91.344331060
        36.902043850
        15.845473710
         3.212243992
         1.429223521
         0.608010049
         0.238070078
         0.080266669
     -0.004788953800 0.0 0.0 0.0
     -0.030025960000 0.0 0.0 0.0
     -0.086047422000 0.0 0.0 0.0
     -0.111969020000 0.0 0.0 0.0
      0.224653450000 0.0 0.0 0.0
      0.384348670000 0.0 0.0 0.0
      0.376891170000 1.0 0.0 0.0
      0.257897480000 0.0 1.0 0.0
      0.110611950000 0.0 0.0 1.0
*
* Core AIMP:Pa DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    672105.681000000
    162394.001000000
     54905.705700000
     20208.019100000
      7868.212920000
      3116.971060000
      1287.722990000
       600.474017000
       225.372364000
       114.090170000
        23.666563700
        15.185290300
         4.522041300
         2.485396800
         1.269078360
      0.064174934966
      0.050400421886
      0.077169132021
      0.111387882738
      0.145175168087
      0.189983801110
      0.327556965552
      0.406880679509
      0.346026452217
      1.040992179309
      1.412885861824
      0.527635488580
      0.798034923504
      0.455691874085
      0.046004234612
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    8339.769600    1565.304240     399.844080     104.458726      24.032560
 3266531300000.000000000
  310476820000.000000000
   48590502000.000000000
   10009456000.000000000
    2496617700.000000000
     724716860.000000000
     241498670.000000000
      86685553.000000000
      30891912.000000000
      10737389.000000000
       3721407.300000000
       1313745.000000000
        479917.370000000
        184601.850000000
         75356.435000000
         32757.509000000
         15103.318000000
          7258.206700000
          3578.987100000
          1803.324700000
           924.238470000
           469.588690000
           243.086110000
           126.335800000
            70.381385000
            39.225458000
            21.170961000
            12.267199000
             6.809584400
             3.211615200
             1.637754700
             0.759349180
             0.333786080
             0.076231056
             0.030633838
    0.000001600000   -0.000000700000    0.000000300000    0.000000200000   -0.000000100000
    0.000006600000   -0.000002800000    0.000001300000    0.000000700000   -0.000000300000
    0.000019199999   -0.000007999999    0.000003900001    0.000002000000   -0.000001000000
    0.000047799998   -0.000019899999    0.000009700001    0.000005000000   -0.000002500000
    0.000105499995   -0.000043899997    0.000021400003    0.000011100001   -0.000005400000
    0.000209299991   -0.000086799994    0.000042400006    0.000021900001   -0.000010800000
    0.000381299984   -0.000157999989    0.000077100011    0.000039900002   -0.000019600000
    0.000715199969   -0.000296099979    0.000144400021    0.000074800004   -0.000036699999
    0.001414399939   -0.000585199959    0.000285400041    0.000147800007   -0.000072599998
    0.002801399879   -0.001159399919    0.000565500081    0.000292800014   -0.000143899996
    0.005416599766   -0.002245099843    0.001095400156    0.000567200027   -0.000278799993
    0.010198699559   -0.004242899704    0.002071500295    0.001072800051   -0.000527199987
    0.018512199199   -0.007754799458    0.003790600540    0.001963800093   -0.000965299976
    0.032182998608   -0.013640999047    0.006681600953    0.003462900164   -0.001701999957
    0.053742897676   -0.023204298379    0.011402301625    0.005915900280   -0.002909499927
    0.085719196293   -0.038079997340    0.018808102681    0.009766200462   -0.004800999880
    0.131311994321   -0.060841895750    0.030274804316    0.015763400746   -0.007764199806
    0.192306191683   -0.094989893365    0.047846606821    0.024954001180   -0.012271099693
    0.251625789118   -0.136164990489    0.069778409947    0.036644201733   -0.018117199547
    0.256074588926   -0.152365489357    0.079651511355    0.041840401979   -0.020543399486
    0.162594292968   -0.058868595888    0.024201403450    0.012084300572   -0.006098699848
    0.041696898197    0.240679583189   -0.194174427681   -0.114916405436    0.059059598523
    0.000381699983    0.524907463336   -0.519598274072   -0.322281715245    0.165061095873
    0.001034799955    0.334201676656   -0.376856453723   -0.258171012213    0.141244696469
   -0.000843399964    0.041137597127    0.455016664865    0.465148022004   -0.283926792901
    0.000556499976    0.010455099270    0.734541004713    0.980874646400   -0.608175384794
   -0.000405199982   -0.005818999594    0.244348534833    0.114032705394   -0.078617698034
    0.000278899988    0.003675999743   -0.000447200064   -0.948875344886    1.050349573739
   -0.000133399994   -0.001864499870    0.007222001030   -0.547656725907    0.756387581088
    0.000058499997    0.000836699942   -0.002796400399   -0.042527802012   -0.982342375439
   -0.000030399999   -0.000420899971    0.001234900176    0.002979800141   -0.679756483004
    0.000011999999    0.000168099988   -0.000500000071   -0.000982600046   -0.029476499263
   -0.000003700000   -0.000052799996    0.000161500023    0.000323300015   -0.003124599922
    0.000000900000    0.000012699999   -0.000037800005   -0.000058300003    0.000707399982
   -0.000000400000   -0.000005100000    0.000015200002    0.000023600001   -0.000296299993
   26    4
    1313.489300     328.631780      80.745194      16.525059
 511555430.000000000
  72013448.000000000
  14731866.000000000
   3618831.600000000
   1031651.000000000
    328474.110000000
    114393.350000000
     43203.876000000
     17519.478000000
      7570.364500000
      3458.905800000
      1654.004900000
       825.222970000
       427.016210000
       227.436930000
       123.703130000
        68.182918000
        37.992905000
        20.963068000
        11.382522000
         6.158066800
         3.183791100
         1.623824700
         0.747612050
         0.347215790
         0.143390470
    0.000005800000   -0.000003100000   -0.000001600000   -0.000000800000
    0.000018300000   -0.000009700000   -0.000005000000   -0.000002400000
    0.000050200000   -0.000026500001   -0.000013799999   -0.000006500000
    0.000127400000   -0.000067300003   -0.000034999997   -0.000016600000
    0.000303200000   -0.000160500008   -0.000083399992   -0.000039600000
    0.000711399999   -0.000377500018   -0.000196399981   -0.000093199999
    0.001658499998   -0.000883400043   -0.000460099956   -0.000218199998
    0.003880399994   -0.002077500101   -0.001083299896   -0.000514199996
    0.009190199987   -0.004957900240   -0.002590399752   -0.001229299990
    0.021774699968   -0.011877800576   -0.006222499403   -0.002958199977
    0.050990499926   -0.028303901373   -0.014894498571   -0.007078599944
    0.112313799837   -0.064055703107   -0.033940396744   -0.016189699872
    0.213309399690   -0.126328906127   -0.067610893515   -0.032249199745
    0.314991199543   -0.193691409395   -0.104799089948   -0.050338799601
    0.303482499559   -0.161161807817   -0.081702292163   -0.038069999699
    0.151057799781    0.100404204870    0.097746790624    0.052142799587
    0.026813799961    0.458034922216    0.393558162251    0.213835798307
    0.001056099998    0.432649220985    0.349038766521    0.176651098602
   -0.000140800000    0.135155906555   -0.269527474147   -0.214569798301
   -0.000027400000    0.009550200463   -0.666698536051   -0.594424395294
   -0.000028300000    0.000596100029   -0.298530971365   -0.111567299117
    0.000024300000   -0.000310700015   -0.028219097293    0.688327794551
   -0.000005600000    0.000045500002   -0.000370099965    0.505315096000
    0.000003800000   -0.000033600002    0.000013999999    0.064825499487
   -0.000001500000    0.000014200001    0.000031599997   -0.000566099996
    0.000000400000   -0.000003600000   -0.000008799999    0.000202899998
   18    3
     261.562560      55.079286       7.848801
     38409.563000000
      9691.397400000
      3420.029000000
      1430.645600000
       658.022000000
       322.264260000
       166.577570000
        89.902299000
        50.468770000
        28.934401000
        16.201400000
         8.941832200
         4.768673700
         2.445101600
         1.195129600
         0.525590860
         0.201453630
         0.068888718
    0.000088499996    0.000049199995    0.000021400002
    0.000551899977    0.000307999969    0.000133900012
    0.002652799887    0.001485099853    0.000645500059
    0.010939399535    0.006170499388    0.002689500248
    0.038631998360    0.021991997818    0.009594600884
    0.110228095319    0.063933793656    0.028045302584
    0.232551190125    0.135877586516    0.059601505491
    0.337841185654    0.190520781094    0.083150007660
    0.299904587265    0.111813288904    0.039983703683
    0.148784793682   -0.152049784911   -0.097634708994
    0.033829698563   -0.428743057454   -0.250158123045
    0.001227499948   -0.408060259506   -0.202574618661
    0.000543899977   -0.142264085882    0.211447719479
   -0.000220999991   -0.011140598894    0.547010750391
    0.000089099996   -0.000394799961    0.367149633822
   -0.000033699999    0.000210799979    0.066923706165
    0.000011200000   -0.000040399996   -0.000546300050
   -0.000003600000    0.000020899998    0.000148100014
   13    1
      28.171286
      3250.819100000
       798.952770000
       304.437160000
       138.049920000
        67.860968000
        35.045052000
        18.387982000
         9.604878000
         4.841439100
         2.225585300
         0.972337580
         0.393883830
         0.139421580
   -0.000086099994
   -0.001338399903
   -0.009318099326
   -0.040728197054
   -0.121333191225
   -0.250724581866
   -0.352277974521
   -0.326268576402
   -0.162862188221
   -0.027009198047
    0.000402699971
   -0.000395499971
    0.000090199993
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Pa.AE.Paulovic.35s26p18d13f.7s5p4d2f.91e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32665313D+13 0.31047682D+12 0.48590502D+11 0.10009456D+11 0.24966177D+10 0.72471686D+09
 0.24149867D+09 0.86685553D+08 0.30892530D+08 0.10737389D+08 0.37214073D+07 0.13137408D+07
 0.47991864D+06 0.18460185D+06 0.75356435D+05 0.32757509D+05 0.15101042D+05 0.72551710D+04
 0.35789871D+04 0.18033247D+04 0.92414822D+03 0.46960947D+03 0.24308611D+03 0.12634241D+03
 0.70381385D+02 0.39225490D+02 0.21170703D+02 0.12267269D+02 0.68108962D+01 0.32109992D+01
 0.16377547D+01 0.75934686D+00 0.33379423D+00 0.76230059D-01 0.30565802D-01
 0.0000016 -0.0000007  0.0000003  0.0000002 -0.0000001  0.0000000  0.0000000 0.0 0.0 0.0 0.0
 0.0000066 -0.0000028  0.0000013  0.0000007 -0.0000003  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000192 -0.0000080  0.0000039  0.0000020 -0.0000010  0.0000004 -0.0000001 0.0 0.0 0.0 0.0
 0.0000478 -0.0000199  0.0000097  0.0000050 -0.0000025  0.0000011 -0.0000003 0.0 0.0 0.0 0.0
 0.0001055 -0.0000439  0.0000214  0.0000111 -0.0000054  0.0000024 -0.0000007 0.0 0.0 0.0 0.0
 0.0002093 -0.0000868  0.0000424  0.0000219 -0.0000108  0.0000047 -0.0000013 0.0 0.0 0.0 0.0
 0.0003813 -0.0001580  0.0000771  0.0000399 -0.0000196  0.0000085 -0.0000024 0.0 0.0 0.0 0.0
 0.0007152 -0.0002961  0.0001444  0.0000748 -0.0000367  0.0000159 -0.0000044 0.0 0.0 0.0 0.0
 0.0014144 -0.0005852  0.0002854  0.0001478 -0.0000726  0.0000314 -0.0000088 0.0 0.0 0.0 0.0
 0.0028014 -0.0011594  0.0005655  0.0002928 -0.0001438  0.0000622 -0.0000173 0.0 0.0 0.0 0.0
 0.0054166 -0.0022452  0.0010954  0.0005672 -0.0002785  0.0001206 -0.0000336 0.0 0.0 0.0 0.0
 0.0101986 -0.0042429  0.0020715  0.0010727 -0.0005267  0.0002280 -0.0000636 0.0 0.0 0.0 0.0
 0.0185123 -0.0077549  0.0037906  0.0019637 -0.0009645  0.0004175 -0.0001164 0.0 0.0 0.0 0.0
 0.0321826 -0.0136409  0.0066815  0.0034626 -0.0017005  0.0007361 -0.0002053 0.0 0.0 0.0 0.0
 0.0537442 -0.0232051  0.0114027  0.0059156 -0.0029071  0.0012585 -0.0003506 0.0 0.0 0.0 0.0
 0.0857176 -0.0380791  0.0188076  0.0097652 -0.0047967  0.0020763 -0.0005796 0.0 0.0 0.0 0.0
 0.1313901 -0.0608802  0.0302940  0.0157723 -0.0077627  0.0033620 -0.0009352 0.0 0.0 0.0 0.0
 0.1923205 -0.0949990  0.0478511  0.0249545 -0.0122612  0.0053071 -0.0014851 0.0 0.0 0.0 0.0
 0.2514785 -0.1360925  0.0697419  0.0366226 -0.0180941  0.0078450 -0.0021741 0.0 0.0 0.0 0.0
 0.2561850 -0.1524183  0.0796769  0.0418502 -0.0205287  0.0088784 -0.0025063 0.0 0.0 0.0 0.0
 0.1625243 -0.0588407  0.0241890  0.0120781 -0.0060988  0.0026686 -0.0006766 0.0 0.0 0.0 0.0
 0.0417284  0.2406544 -0.1941603 -0.1149012  0.0590238 -0.0258485  0.0070664 0.0 0.0 0.0 0.0
 0.0003479  0.5249523 -0.5196325 -0.3222744  0.1648868 -0.0720070  0.0204495 0.0 0.0 0.0 0.0
 0.0010699  0.3341338 -0.3767706 -0.2580901  0.1411883 -0.0628907  0.0167634 0.0 0.0 0.0 0.0
-0.0008764  0.0412156  0.4549268  0.4650649 -0.2838701  0.1297850 -0.0346454 0.0 0.0 0.0 0.0
 0.0005830  0.0103979  0.7345978  0.9806556 -0.6071127  0.2768079 -0.0812781 0.0 0.0 0.0 0.0
-0.0004254 -0.0057760  0.2443008  0.1142766 -0.0795484  0.0434392 -0.0056916 0.0 0.0 0.0 0.0
 0.0002930  0.0036473 -0.0004228 -0.9485632  1.0505349 -0.5662996  0.1521324 0.0 0.0 0.0 0.0
-0.0001404 -0.0018498  0.0072080 -0.5480436  0.7536861 -0.4230454  0.1373466 0.0 0.0 0.0 0.0
 0.0000615  0.0008295 -0.0027833 -0.0424883 -0.9783036  0.8172066 -0.2743029 0.0 0.0 0.0 0.0
-0.0000320 -0.0004175  0.0012308  0.0029736 -0.6794758  0.8175179 -0.2398030 0.0 0.0 0.0 0.0
 0.0000127  0.0001667 -0.0005008 -0.0009949 -0.0319324 -0.6235375  0.2061147 1.0 0.0 0.0 0.0
-0.0000038 -0.0000524  0.0001601  0.0003224 -0.0030015 -0.8901411  0.5694687 0.0 1.0 0.0 0.0
 0.0000009  0.0000126 -0.0000378 -0.0000602  0.0006377 -0.0634417 -0.2367161 0.0 0.0 1.0 0.0
-0.0000004 -0.0000050  0.0000152  0.0000231 -0.0002593  0.0149864 -0.9348661 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50683531D+09 0.72578381D+08 0.14746911D+08 0.36420605D+07 0.10371738D+07 0.32957919D+06
 0.11459138D+06 0.43243773D+05 0.17521778D+05 0.75672441D+04 0.34547545D+04 0.16529254D+04
 0.82525130D+03 0.42730208D+03 0.22783027D+03 0.12392134D+03 0.67979765D+02 0.37754035D+02
 0.20726613D+02 0.11328122D+02 0.61499357D+01 0.32211231D+01 0.16411022D+01 0.72409970D+00
 0.32923106D+00 0.13455275D+00
 0.0000058 -0.0000031 -0.0000016 -0.0000008  0.0000003 0.0 0.0 0.0 0.0
 0.0000182 -0.0000096 -0.0000050 -0.0000024  0.0000009 0.0 0.0 0.0 0.0
 0.0000501 -0.0000265 -0.0000137 -0.0000065  0.0000025 0.0 0.0 0.0 0.0
 0.0001264 -0.0000668 -0.0000347 -0.0000164  0.0000064 0.0 0.0 0.0 0.0
 0.0003026 -0.0001602 -0.0000833 -0.0000394  0.0000152 0.0 0.0 0.0 0.0
 0.0007105 -0.0003770 -0.0001961 -0.0000929  0.0000359 0.0 0.0 0.0 0.0
 0.0016578 -0.0008830 -0.0004598 -0.0002178  0.0000842 0.0 0.0 0.0 0.0
 0.0038805 -0.0020775 -0.0010833 -0.0005135  0.0001985 0.0 0.0 0.0 0.0
 0.0091939 -0.0049603 -0.0025912 -0.0012281  0.0004750 0.0 0.0 0.0 0.0
 0.0218099 -0.0118955 -0.0062324 -0.0029587  0.0011438 0.0 0.0 0.0 0.0
 0.0510743 -0.0283566 -0.0149186 -0.0070815  0.0027404 0.0 0.0 0.0 0.0
 0.1122557 -0.0640092 -0.0339229 -0.0161578  0.0062485 0.0 0.0 0.0 0.0
 0.2131503 -0.1262786 -0.0675563 -0.0321868  0.0124720 0.0 0.0 0.0 0.0
 0.3144634 -0.1932436 -0.1046123 -0.0501665  0.0194065 0.0 0.0 0.0 0.0
 0.3032640 -0.1616128 -0.0818565 -0.0381439  0.0147817 0.0 0.0 0.0 0.0
 0.1518974  0.1006106  0.0975347  0.0520738 -0.0208415 0.0 0.0 0.0 0.0
 0.0269242  0.4621912  0.3983288  0.2159108 -0.0854266 0.0 0.0 0.0 0.0
 0.0009219  0.4322566  0.3441599  0.1737117 -0.0688330 0.0 0.0 0.0 0.0
-0.0001034  0.1321345 -0.2767935 -0.2206465  0.0960337 0.0 0.0 0.0 0.0
-0.0000427  0.0083323 -0.6614366 -0.5874568  0.2579920 0.0 0.0 0.0 0.0
-0.0000206  0.0009645 -0.2960250 -0.1149596  0.0340453 0.0 0.0 0.0 0.0
 0.0000202 -0.0004751 -0.0280653  0.6748714 -0.4257051 0.0 0.0 0.0 0.0
-0.0000032  0.0001095 -0.0008886  0.5210851 -0.3355051 1.0 0.0 0.0 0.0
 0.0000027 -0.0000590  0.0001522  0.0684371  0.4013173 0.0 1.0 0.0 0.0
-0.0000011  0.0000247 -0.0000308 -0.0024914  0.6555175 0.0 0.0 1.0 0.0
 0.0000003 -0.0000063  0.0000104  0.0008189  0.1969843 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.49343637D+05 0.11055919D+05 0.36342690D+04 0.14732944D+04 0.66994902D+03 0.32637150D+03
 0.16654151D+03 0.87310209D+02 0.46749432D+02 0.25025689D+02 0.13264102D+02 0.70291717D+01
 0.36566678D+01 0.18394278D+01 0.86717356D+00 0.32302620D+00 0.11105883D+00 0.34858517D-01
 0.0000652  0.0000362  0.0000157 -0.0000030 0.0 0.0 0.0 0.0
 0.0004802  0.0002680  0.0001161 -0.0000227 0.0 0.0 0.0 0.0
 0.0025047  0.0014008  0.0006058 -0.0001177 0.0 0.0 0.0 0.0
 0.0106158  0.0059902  0.0026027 -0.0005090 0.0 0.0 0.0 0.0
 0.0378017  0.0214952  0.0093302 -0.0018134 0.0 0.0 0.0 0.0
 0.1092862  0.0634159  0.0277323 -0.0054300 0.0 0.0 0.0 0.0
 0.2401363  0.1401460  0.0611526 -0.0118820 0.0 0.0 0.0 0.0
 0.3626643  0.2039629  0.0886998 -0.0174179 0.0 0.0 0.0 0.0
 0.3134339  0.0931174  0.0277214 -0.0047644 0.0 0.0 0.0 0.0
 0.1244631 -0.2553575 -0.1530894  0.0305100 0.0 0.0 0.0 0.0
 0.0154161 -0.5004989 -0.2906844  0.0600573 0.0 0.0 0.0 0.0
 0.0008459 -0.3179749 -0.0769984  0.0090351 0.0 0.0 0.0 0.0
-0.0001357 -0.0641287  0.3965904 -0.0932847 0.0 0.0 0.0 0.0
 0.0000690 -0.0022877  0.5283998 -0.1393016 0.0 0.0 0.0 0.0
-0.0000330 -0.0000085  0.2280695  0.0350412 1.0 0.0 0.0 0.0
 0.0000102  0.0000430  0.0204726  0.3204142 0.0 1.0 0.0 0.0
-0.0000040 -0.0000079 -0.0010510  0.5032169 0.0 0.0 1.0 0.0
 0.0000012  0.0000026  0.0004119  0.4003743 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.18326999D+04 0.65170132D+03 0.28655518D+03 0.13783949D+03 0.69029999D+02 0.35401153D+02
 0.18172589D+02 0.92426026D+01 0.45491195D+01 0.20406649D+01 0.86408513D+00 0.33310525D+00
 0.10802462D+00
-0.0002189 -0.0000593 0.0 0.0 0.0
-0.0017309 -0.0004729 0.0 0.0 0.0
-0.0095246 -0.0025953 0.0 0.0 0.0
-0.0389142 -0.0106681 0.0 0.0 0.0
-0.1176763 -0.0322841 0.0 0.0 0.0
-0.2546841 -0.0690350 0.0 0.0 0.0
-0.3675132 -0.0910918 0.0 0.0 0.0
-0.3311742 -0.0510598 0.0 0.0 0.0
-0.1499994  0.1216442 0.0 0.0 0.0
-0.0205920  0.3407912 0.0 0.0 0.0
 0.0003685  0.4165319 1.0 0.0 0.0
-0.0002715  0.3273869 0.0 1.0 0.0
 0.0000520  0.1644324 0.0 0.0 1.0
*
End

*
/U.ECP.Paulovic.14s10p11d9f.2s1p1d1f.14e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on UQR(5L)
*
 14.000000         3

* S-type functions
   14    6
  10753175.480000000
    957211.354200000
    120564.150100000
     18170.233990000
      3514.604011000
       267.276242100
        45.307268230
        10.734714960
         2.619307852
         1.724710296
         0.571559366
         0.272145145
         0.066506585
         0.028334450
      0.000159755010     -0.000047447460 0.0 0.0 0.0 0.0
      0.000625831660     -0.000185876280 0.0 0.0 0.0 0.0
      0.002212106600     -0.000656994930 0.0 0.0 0.0 0.0
      0.007233470600     -0.002148576600 0.0 0.0 0.0 0.0
      0.017701553000     -0.005257409300 0.0 0.0 0.0 0.0
     -0.113183980000      0.033678035000 0.0 0.0 0.0 0.0
      0.366074520000     -0.109823890000 0.0 0.0 0.0 0.0
     -0.813610890000      0.251184970000 0.0 0.0 0.0 0.0
      1.086787200000     -0.372989350000 0.0 0.0 0.0 0.0
      0.280170890000     -0.100332490000 0.0 0.0 0.0 0.0
     -0.931267590000      0.480078020000 1.0 0.0 0.0 0.0
     -0.479898400000      0.353922220000 0.0 1.0 0.0 0.0
     -0.012550256000     -0.646114060000 0.0 0.0 1.0 0.0
      0.002455728600     -0.583327040000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
      9158.963563000
      1730.007828000
       485.069318000
        66.059951700
        12.796070580
         3.145795467
         2.137739283
         0.563943951
         0.264814828
         0.111761496
      0.002285492100 0.0 0.0 0.0 0.0
      0.012182654000 0.0 0.0 0.0 0.0
      0.033487551000 0.0 0.0 0.0 0.0
     -0.132647800000 0.0 0.0 0.0 0.0
      0.329850420000 0.0 0.0 0.0 0.0
     -0.372155530000 0.0 0.0 0.0 0.0
     -0.295428020000 1.0 0.0 0.0 0.0
      0.623713680000 0.0 1.0 0.0 0.0
      0.469206510000 0.0 0.0 1.0 0.0
      0.084428038000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1018.012508000
       288.889058500
       104.814407200
        18.658441790
         7.954448163
         4.635030651
         2.162849960
         0.467830391
         0.217588056
         0.099028542
         0.041135859
     -0.002522271200 0.0 0.0 0.0 0.0
     -0.014741919000 0.0 0.0 0.0 0.0
     -0.034368426000 0.0 0.0 0.0 0.0
      0.091339108000 0.0 0.0 0.0 0.0
      0.070248104000 0.0 0.0 0.0 0.0
     -0.128707710000 0.0 0.0 0.0 0.0
     -0.206417330000 0.0 0.0 0.0 0.0
      0.311123560000 1.0 0.0 0.0 0.0
      0.421983570000 0.0 1.0 0.0 0.0
      0.345801950000 0.0 0.0 1.0 0.0
      0.117233180000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       283.577572900
        95.486655270
        38.663361780
        16.597594010
         3.517943688
         1.672828028
         0.775915956
         0.339011453
         0.130567859
     -0.005260646400 0.0 0.0 0.0
     -0.033009025000 0.0 0.0 0.0
     -0.095741287000 0.0 0.0 0.0
     -0.125887110000 0.0 0.0 0.0
      0.227448100000 0.0 0.0 0.0
      0.375452330000 0.0 0.0 0.0
      0.364393520000 1.0 0.0 0.0
      0.238481460000 0.0 1.0 0.0
      0.085617359000 0.0 0.0 1.0
*
* Core AIMP:U DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    577427.040000000
    123340.026000000
     38021.171200000
     12972.164400000
      4630.636600000
      1688.025310000
       711.488871000
       263.366246000
       120.008402000
        25.045438500
        16.999393200
         4.841588890
         2.713857300
         1.386673580
      0.067618192636
      0.059698654177
      0.092821930109
      0.132213868981
      0.172269392974
      0.283590933227
      0.426364365093
      0.312994221547
      1.011911661042
      1.180816737918
      0.612855024648
      0.710532579154
      0.456323258801
      0.051417751123
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    8564.014800    1613.855080     413.712100     108.795422      25.212790
 3266531300000.000000000
  310476820000.000000000
   48590502000.000000000
   10009456000.000000000
    2496617700.000000000
     724716860.000000000
     241498670.000000000
      86685553.000000000
      30894257.000000000
      10739020.000000000
       3724315.800000000
       1313745.000000000
        479916.480000000
        184600.810000000
         75352.579000000
         32757.509000000
         15104.669000000
          7259.624400000
          3578.987100000
          1803.324700000
           924.249870000
           469.588690000
           243.086110000
           126.334260000
            70.371076000
            39.225458000
            21.170961000
            12.266637000
             6.808753300
             3.212713100
             1.637754700
             0.759358450
             0.333920570
             0.076245555
             0.030635202
    0.000001800000   -0.000000800000    0.000000400000    0.000000200000   -0.000000100000
    0.000007200000   -0.000003000000    0.000001500000    0.000000800000   -0.000000400000
    0.000020800000   -0.000008800000    0.000004300000    0.000002200000   -0.000001100000
    0.000051500000   -0.000021600000    0.000010600000    0.000005500000   -0.000002700000
    0.000113400000   -0.000047400000    0.000023199999    0.000012000000   -0.000006000000
    0.000223999999   -0.000093500001    0.000045699999    0.000023700001   -0.000011700000
    0.000407099999   -0.000169600002    0.000082899998    0.000043000001   -0.000021299999
    0.000760599998   -0.000316700003    0.000154599995    0.000080300002   -0.000039699998
    0.001500299996   -0.000624200006    0.000304799991    0.000158200005   -0.000078299997
    0.002957999992   -0.001231000011    0.000601199982    0.000312100009   -0.000154399993
    0.005702899985   -0.002377100021    0.001161299966    0.000602800017   -0.000298299987
    0.010706699972   -0.004479400040    0.002189799936    0.001136900032   -0.000562499976
    0.019343699949   -0.008149600072    0.003988899884    0.002071700059   -0.001025299957
    0.033502699911   -0.014284200127    0.007006299796    0.003640300104   -0.001801299924
    0.055681099852   -0.024189100215    0.011903399653    0.006191400176   -0.003065899870
    0.088354099765   -0.039507100351    0.019542699431    0.010173400290   -0.005034799787
    0.134478199642   -0.062742200557    0.031272199089    0.016325100465   -0.008097599658
    0.195448099480   -0.097252100864    0.049071798570    0.025659100731   -0.012699299463
    0.252929399327   -0.137759401224    0.070720397940    0.037239801060   -0.018551699216
    0.252976799327   -0.150260901335    0.078521797712    0.041320301177   -0.020388399138
    0.156291899584   -0.048166300428    0.017266199497    0.008257100235   -0.004284099819
    0.038188199898    0.258977702301   -0.210480393868   -0.125166403564    0.064946197255
    0.000266499999    0.526313904676   -0.528038984616   -0.329531009383    0.169798792825
    0.000883899998    0.316986602816   -0.346680789900   -0.238454806790    0.132869594385
   -0.000714699998    0.034894300310    0.497168985516    0.516868714718   -0.320874586440
    0.000461099999    0.009628800086    0.716336579131    0.970314827630   -0.603837474483
   -0.000332499999   -0.005489800049    0.220309093582    0.035140701001   -0.029477298754
    0.000229099999    0.003435400031   -0.001625699953   -0.967265027543    1.131412952189
   -0.000109200000   -0.001732700015    0.006353899815   -0.499642214227    0.649287072562
    0.000047600000    0.000778200007   -0.002500899927   -0.033044500941   -1.057940855293
   -0.000024800000   -0.000390700003    0.001091999968    0.001686300048   -0.602951374520
    0.000009800000    0.000155700001   -0.000439199987   -0.000517300015   -0.022412099053
   -0.000003000000   -0.000048900000    0.000142299996    0.000186200005   -0.002448799897
    0.000000700000    0.000011700000   -0.000033199999   -0.000028100001    0.000505499979
   -0.000000300000   -0.000004700000    0.000013400000    0.000011500000   -0.000210699991
   26    4
    1349.594120     339.218600      84.006566      17.325153
 504215120.000000000
  71035224.000000000
  14357392.000000000
   3546683.700000000
   1012798.100000000
    323735.930000000
    113353.580000000
     43002.224000000
     17519.177000000
      7585.497600000
      3460.441000000
      1654.102500000
       824.442850000
       426.365720000
       227.384440000
       123.913820000
        68.446532000
        38.286828000
        21.203490000
        11.721141000
         6.436010700
         3.424863100
         1.770146300
         0.795698530
         0.369271440
         0.151901330
    0.000006200000   -0.000003300000   -0.000001700000   -0.000000800000
    0.000019800000   -0.000010499999   -0.000005400000   -0.000002600000
    0.000054299999   -0.000028699998   -0.000015000000   -0.000007200000
    0.000136399998   -0.000072199995   -0.000037700000   -0.000018000000
    0.000324899995   -0.000172299988   -0.000089900000   -0.000043000000
    0.000756199988   -0.000402099973   -0.000209900000   -0.000100399999
    0.001752999972   -0.000935899936   -0.000489000001   -0.000233799999
    0.004076899934   -0.002187899851   -0.001144800002   -0.000547699997
    0.009581099845   -0.005182299648   -0.002716600005   -0.001299899992
    0.022704899632   -0.012417699156   -0.006528700012   -0.003128299980
    0.053062799140   -0.029549097992   -0.015602900028   -0.007478199953
    0.116090398118   -0.066422295487   -0.035331500063   -0.016985099892
    0.219002496450   -0.130207291153   -0.069932800124   -0.033651099787
    0.317863094847   -0.195671186704   -0.106261000188   -0.051411399674
    0.298247895165   -0.154503789502   -0.077380400137   -0.036272199770
    0.143706697670    0.116865892059    0.109957200195    0.059284199624
    0.024238799607    0.465309468383    0.404009600716    0.221282098598
    0.000984199984    0.420025771460    0.330233300586    0.167408298940
   -0.000195099997    0.127790591317   -0.281218400499   -0.227233398561
    0.000011700000    0.008277099438   -0.652974901158   -0.588338396273
   -0.000050899999    0.000987099933   -0.298628300530   -0.125661399204
    0.000036099999   -0.000491499967   -0.030662800054    0.659395495823
   -0.000010100000    0.000112699992   -0.000964600002    0.537949196593
    0.000005500000   -0.000061099996    0.000141700000    0.077260599511
   -0.000002200000    0.000025399998   -0.000021000000   -0.003005999981
    0.000000600000   -0.000006400000    0.000004600000    0.000807699995
   18    3
     270.079500      57.532312       8.310205
     37660.811000000
      9616.734400000
      3410.788400000
      1433.591100000
       658.073910000
       322.171420000
       166.584310000
        89.830585000
        50.479385000
        29.004616000
        16.237556000
         8.952853300
         4.767082400
         2.450111600
         1.196255800
         0.518338850
         0.201348030
         0.069324681
    0.000095900003    0.000053599998    0.000023500001
    0.000590100019    0.000331099987    0.000145700008
    0.002796300091    0.001574199939    0.000692400037
    0.011471500372    0.006505199748    0.002870100155
    0.040568401316    0.023231599099    0.010258500555
    0.114490803714    0.066793397411    0.029665001605
    0.239094607757    0.140409494557    0.062324503373
    0.341487311078    0.192566092535    0.084975604598
    0.293379009518    0.102793796015    0.035297301910
    0.141485604590   -0.167272193515   -0.107115305796
    0.030740100997   -0.439576982959   -0.261401414145
    0.001002000033   -0.397190984602   -0.189854610273
    0.000459600015   -0.128575795016    0.246342113330
   -0.000195300006   -0.008702399663    0.552190929880
    0.000072800002   -0.000450199983    0.341523318481
   -0.000028800001    0.000215099992    0.055713503015
    0.000009300000   -0.000050999998   -0.000950300051
   -0.000003200000    0.000021899999    0.000211800011
   13    1
      29.960168
      2162.644900000
       723.343760000
       307.017130000
       146.996540000
        74.894952000
        39.606560000
        21.057592000
        11.053894000
         5.628696200
         2.680594500
         1.197981400
         0.491081270
         0.175138450
   -0.000169599997
   -0.001553599976
   -0.009000399858
   -0.036356099428
   -0.105695998337
   -0.225991396444
   -0.340516594643
   -0.342528794611
   -0.188389097036
   -0.038400499396
   -0.000453399993
   -0.000370299994
    0.000077499999
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   U.AE.Paulovic.35s26p18d13f.7s5p4d2f.92e-DK3-AE.                                       *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32665313D+13 0.31047682D+12 0.48590502D+11 0.10009456D+11 0.24966177D+10 0.72471686D+09
 0.24149867D+09 0.86685553D+08 0.30894257D+08 0.10739020D+08 0.37243158D+07 0.13137450D+07
 0.47991648D+06 0.18460081D+06 0.75352579D+05 0.32757509D+05 0.15104669D+05 0.72596244D+04
 0.35789871D+04 0.18033247D+04 0.92424987D+03 0.46958869D+03 0.24308611D+03 0.12633426D+03
 0.70371076D+02 0.39225458D+02 0.21170961D+02 0.12266637D+02 0.68087533D+01 0.32127131D+01
 0.16377547D+01 0.75935845D+00 0.33392057D+00 0.76245555D-01 0.30635202D-01
 0.0000018 -0.0000008  0.0000004  0.0000002 -0.0000001  0.0000000  0.0000000 0.0 0.0 0.0 0.0
 0.0000072 -0.0000030  0.0000015  0.0000008 -0.0000004  0.0000002  0.0000000 0.0 0.0 0.0 0.0
 0.0000208 -0.0000088  0.0000043  0.0000022 -0.0000011  0.0000005 -0.0000001 0.0 0.0 0.0 0.0
 0.0000515 -0.0000216  0.0000106  0.0000055 -0.0000027  0.0000012 -0.0000004 0.0 0.0 0.0 0.0
 0.0001134 -0.0000474  0.0000232  0.0000120 -0.0000060  0.0000026 -0.0000008 0.0 0.0 0.0 0.0
 0.0002240 -0.0000935  0.0000457  0.0000237 -0.0000117  0.0000052 -0.0000015 0.0 0.0 0.0 0.0
 0.0004071 -0.0001696  0.0000829  0.0000430 -0.0000213  0.0000094 -0.0000028 0.0 0.0 0.0 0.0
 0.0007606 -0.0003167  0.0001546  0.0000803 -0.0000397  0.0000176 -0.0000052 0.0 0.0 0.0 0.0
 0.0015003 -0.0006242  0.0003048  0.0001582 -0.0000783  0.0000346 -0.0000103 0.0 0.0 0.0 0.0
 0.0029580 -0.0012310  0.0006012  0.0003121 -0.0001544  0.0000683 -0.0000203 0.0 0.0 0.0 0.0
 0.0057029 -0.0023771  0.0011613  0.0006028 -0.0002983  0.0001319 -0.0000392 0.0 0.0 0.0 0.0
 0.0107067 -0.0044794  0.0021898  0.0011369 -0.0005625  0.0002487 -0.0000740 0.0 0.0 0.0 0.0
 0.0193437 -0.0081496  0.0039889  0.0020717 -0.0010253  0.0004534 -0.0001349 0.0 0.0 0.0 0.0
 0.0335027 -0.0142842  0.0070063  0.0036403 -0.0018013  0.0007964 -0.0002370 0.0 0.0 0.0 0.0
 0.0556811 -0.0241891  0.0119034  0.0061914 -0.0030659  0.0013559 -0.0004032 0.0 0.0 0.0 0.0
 0.0883541 -0.0395071  0.0195427  0.0101734 -0.0050348  0.0022259 -0.0006626 0.0 0.0 0.0 0.0
 0.1344782 -0.0627422  0.0312722  0.0163251 -0.0080976  0.0035833 -0.0010649 0.0 0.0 0.0 0.0
 0.1954481 -0.0972521  0.0490718  0.0256592 -0.0126993  0.0056128 -0.0016729 0.0 0.0 0.0 0.0
 0.2529294 -0.1377595  0.0707204  0.0372399 -0.0185518  0.0082220 -0.0024395 0.0 0.0 0.0 0.0
 0.2529768 -0.1502608  0.0785218  0.0413203 -0.0203884  0.0089938 -0.0026916 0.0 0.0 0.0 0.0
 0.1562918 -0.0481664  0.0172663  0.0082571 -0.0042842  0.0019487 -0.0005467 0.0 0.0 0.0 0.0
 0.0381882  0.2589778 -0.2104806 -0.1251668  0.0649463 -0.0291222  0.0086073 0.0 0.0 0.0 0.0
 0.0002665  0.5263135 -0.5280388 -0.3295315  0.1697986 -0.0756450  0.0227023 0.0 0.0 0.0 0.0
 0.0008839  0.3169868 -0.3466813 -0.2384547  0.1328710 -0.0609166  0.0178264 0.0 0.0 0.0 0.0
-0.0007147  0.0348940  0.4971696  0.5168696 -0.3208769  0.1508239 -0.0444593 0.0 0.0 0.0 0.0
 0.0004612  0.0096294  0.7163351  0.9703160 -0.6038339  0.2804358 -0.0857321 0.0 0.0 0.0 0.0
-0.0003326 -0.0054899  0.2203097  0.0351386 -0.0294829  0.0230237 -0.0042303 0.0 0.0 0.0 0.0
 0.0002293  0.0034356 -0.0016259 -0.9672640  1.1314194 -0.6352830  0.1913941 0.0 0.0 0.0 0.0
-0.0001093 -0.0017328  0.0063546 -0.4996418  0.6492824 -0.3641381  0.1197975 0.0 0.0 0.0 0.0
 0.0000477  0.0007783 -0.0025006 -0.0330448 -1.0579426  0.9220721 -0.3179565 0.0 0.0 0.0 0.0
-0.0000248 -0.0003906  0.0010925  0.0016870 -0.6029412  0.7730351 -0.2678360 0.0 0.0 0.0 0.0
 0.0000098  0.0001559 -0.0004399 -0.0005173 -0.0224226 -0.7892183  0.3387836 1.0 0.0 0.0 0.0
-0.0000030 -0.0000489  0.0001418  0.0001844 -0.0024469 -0.7885021  0.5563143 0.0 1.0 0.0 0.0
 0.0000008  0.0000117 -0.0000331 -0.0000260  0.0005054 -0.0335851 -0.5104587 0.0 0.0 1.0 0.0
-0.0000003 -0.0000047  0.0000142  0.0000107 -0.0002051  0.0076219 -0.7175798 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50421512D+09 0.71035224D+08 0.14357392D+08 0.35466837D+07 0.10127981D+07 0.32373593D+06
 0.11335358D+06 0.43002224D+05 0.17519177D+05 0.75854976D+04 0.34604410D+04 0.16541025D+04
 0.82444285D+03 0.42636572D+03 0.22738444D+03 0.12391382D+03 0.68446532D+02 0.38286828D+02
 0.21203490D+02 0.11721141D+02 0.64360107D+01 0.34248631D+01 0.17701463D+01 0.79569853D+00
 0.36927144D+00 0.15190133D+00
 0.0000062 -0.0000033 -0.0000017 -0.0000008  0.0000003 0.0 0.0 0.0 0.0
 0.0000198 -0.0000105 -0.0000054 -0.0000026  0.0000010 0.0 0.0 0.0 0.0
 0.0000543 -0.0000287 -0.0000150 -0.0000072  0.0000028 0.0 0.0 0.0 0.0
 0.0001364 -0.0000722 -0.0000377 -0.0000180  0.0000072 0.0 0.0 0.0 0.0
 0.0003249 -0.0001723 -0.0000899 -0.0000430  0.0000171 0.0 0.0 0.0 0.0
 0.0007562 -0.0004021 -0.0002099 -0.0001004  0.0000399 0.0 0.0 0.0 0.0
 0.0017530 -0.0009359 -0.0004890 -0.0002338  0.0000929 0.0 0.0 0.0 0.0
 0.0040769 -0.0021879 -0.0011448 -0.0005477  0.0002177 0.0 0.0 0.0 0.0
 0.0095811 -0.0051823 -0.0027166 -0.0012999  0.0005168 0.0 0.0 0.0 0.0
 0.0227049 -0.0124177 -0.0065287 -0.0031283  0.0012433 0.0 0.0 0.0 0.0
 0.0530628 -0.0295491 -0.0156029 -0.0074782  0.0029750 0.0 0.0 0.0 0.0
 0.1160904 -0.0664223 -0.0353315 -0.0169851  0.0067536 0.0 0.0 0.0 0.0
 0.2190025 -0.1302073 -0.0699328 -0.0336511  0.0134045 0.0 0.0 0.0 0.0
 0.3178631 -0.1956712 -0.1062610 -0.0514114  0.0204505 0.0 0.0 0.0 0.0
 0.2982479 -0.1545038 -0.0773804 -0.0362722  0.0144323 0.0 0.0 0.0 0.0
 0.1437067  0.1168659  0.1099572  0.0592842 -0.0243632 0.0 0.0 0.0 0.0
 0.0242388  0.4653095  0.4040096  0.2212821 -0.0901383 0.0 0.0 0.0 0.0
 0.0009842  0.4200258  0.3302333  0.1674083 -0.0681038 0.0 0.0 0.0 0.0
-0.0001951  0.1277906 -0.2812184 -0.2272333  0.1018828 0.0 0.0 0.0 0.0
 0.0000117  0.0082771 -0.6529748 -0.5883384  0.2671115 0.0 0.0 0.0 0.0
-0.0000509  0.0009871 -0.2986283 -0.1256612  0.0395611 0.0 0.0 0.0 0.0
 0.0000361 -0.0004915 -0.0306628  0.6593952 -0.4307058 0.0 0.0 0.0 0.0
-0.0000101  0.0001127 -0.0009645  0.5379492 -0.3645566 1.0 0.0 0.0 0.0
 0.0000055 -0.0000611  0.0001417  0.0772609  0.3890528 0.0 1.0 0.0 0.0
-0.0000022  0.0000254 -0.0000210 -0.0030061  0.6698319 0.0 0.0 1.0 0.0
 0.0000006 -0.0000064  0.0000046  0.0008077  0.2032002 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.37660811D+05 0.96167344D+04 0.34107884D+04 0.14335911D+04 0.65807391D+03 0.32217142D+03
 0.16658431D+03 0.89830585D+02 0.50479385D+02 0.29004616D+02 0.16237556D+02 0.89528533D+01
 0.47670824D+01 0.24501116D+01 0.11962558D+01 0.51833885D+00 0.20134803D+00 0.69324681D-01
 0.0000959  0.0000536  0.0000235 -0.0000065 0.0 0.0 0.0 0.0
 0.0005901  0.0003311  0.0001457 -0.0000401 0.0 0.0 0.0 0.0
 0.0027963  0.0015742  0.0006924 -0.0001904 0.0 0.0 0.0 0.0
 0.0114715  0.0065052  0.0028701 -0.0007904 0.0 0.0 0.0 0.0
 0.0405684  0.0232316  0.0102585 -0.0028232 0.0 0.0 0.0 0.0
 0.1144908  0.0667934  0.0296650 -0.0081777 0.0 0.0 0.0 0.0
 0.2390946  0.1404095  0.0623245 -0.0171620 0.0 0.0 0.0 0.0
 0.3414873  0.1925661  0.0849756 -0.0234193 0.0 0.0 0.0 0.0
 0.2933790  0.1027938  0.0352973 -0.0091922 0.0 0.0 0.0 0.0
 0.1414856 -0.1672722 -0.1071153  0.0308518 0.0 0.0 0.0 0.0
 0.0307401 -0.4395770 -0.2614014  0.0754830 0.0 0.0 0.0 0.0
 0.0010020 -0.3971910 -0.1898546  0.0509460 0.0 0.0 0.0 0.0
 0.0004596 -0.1285758  0.2463420 -0.0890626 0.0 0.0 0.0 0.0
-0.0001953 -0.0087024  0.5521907 -0.2015539 0.0 0.0 0.0 0.0
 0.0000728 -0.0004502  0.3415236 -0.0646529 1.0 0.0 0.0 0.0
-0.0000288  0.0002151  0.0557136  0.3153488 0.0 1.0 0.0 0.0
 0.0000093 -0.0000510 -0.0009503  0.5547289 0.0 0.0 1.0 0.0
-0.0000032  0.0000219  0.0002118  0.3424616 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21626449D+04 0.72334376D+03 0.30701713D+03 0.14699654D+03 0.74894952D+02 0.39606560D+02
 0.21057592D+02 0.11053894D+02 0.56286962D+01 0.26805945D+01 0.11979814D+01 0.49108127D+00
 0.17513845D+00
-0.0001696 -0.0000514 0.0 0.0 0.0
-0.0015536 -0.0004710 0.0 0.0 0.0
-0.0090004 -0.0027389 0.0 0.0 0.0
-0.0363560 -0.0110791 0.0 0.0 0.0
-0.1056960 -0.0323628 0.0 0.0 0.0
-0.2259914 -0.0684106 0.0 0.0 0.0
-0.3405166 -0.0961428 0.0 0.0 0.0
-0.3425288 -0.0716439 0.0 0.0 0.0
-0.1883891  0.0794034 0.0 0.0 0.0
-0.0384005  0.3088075 0.0 0.0 0.0
-0.0004534  0.4295809 1.0 0.0 0.0
-0.0003703  0.3448269 0.0 1.0 0.0
 0.0000775  0.1494592 0.0 0.0 1.0
*
End

*
/Np.ECP.Paulovic.14s10p11d9f.2s1p1d1f.15e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on NpQR(6L)
*
 15.000000         3

* S-type functions
   14    6
  10736360.470000001
    893675.752400000
    120509.702700000
     18633.556970000
      3644.357937000
       277.046213600
        46.388216350
        11.226632950
         2.723237007
         1.729370168
         0.591029950
         0.283752840
         0.067270531
         0.027284514
      0.000176174030     -0.000051521545 0.0 0.0 0.0 0.0
      0.000683631080     -0.000199929680 0.0 0.0 0.0 0.0
      0.002278805400     -0.000666424950 0.0 0.0 0.0 0.0
      0.007356765000     -0.002151700000 0.0 0.0 0.0 0.0
      0.017725971000     -0.005183915500 0.0 0.0 0.0 0.0
     -0.113692890000      0.033311913000 0.0 0.0 0.0 0.0
      0.374723800000     -0.110721890000 0.0 0.0 0.0 0.0
     -0.827229460000      0.251512190000 0.0 0.0 0.0 0.0
      1.140926900000     -0.386841250000 0.0 0.0 0.0 0.0
      0.227542990000     -0.077795802000 0.0 0.0 0.0 0.0
     -0.944137270000      0.473489930000 1.0 0.0 0.0 0.0
     -0.461430500000      0.345250850000 0.0 1.0 0.0 0.0
     -0.015648264000     -0.685743570000 0.0 0.0 1.0 0.0
      0.003842258100     -0.542942490000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
      9590.363027000
      1813.855316000
       503.513599300
        67.998822520
        13.177705210
         3.490139097
         2.352612581
         0.582855009
         0.269877324
         0.117067092
      0.002286844900 0.0 0.0 0.0 0.0
      0.012133336000 0.0 0.0 0.0 0.0
      0.033954104000 0.0 0.0 0.0 0.0
     -0.133901770000 0.0 0.0 0.0 0.0
      0.336342830000 0.0 0.0 0.0 0.0
     -0.292818930000 0.0 0.0 0.0 0.0
     -0.377219110000 1.0 0.0 0.0 0.0
      0.638359480000 0.0 1.0 0.0 0.0
      0.455411250000 0.0 0.0 1.0 0.0
      0.081660234000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1095.324646000
       300.493057500
       106.855681100
        19.816721280
         8.864277911
         4.974211652
         2.276710073
         0.499977680
         0.223284512
         0.101375693
         0.044499749
     -0.002439662500 0.0 0.0 0.0 0.0
     -0.015199051000 0.0 0.0 0.0 0.0
     -0.035439883000 0.0 0.0 0.0 0.0
      0.087387721000 0.0 0.0 0.0 0.0
      0.075681465000 0.0 0.0 0.0 0.0
     -0.123849080000 0.0 0.0 0.0 0.0
     -0.214050500000 0.0 0.0 0.0 0.0
      0.310709540000 1.0 0.0 0.0 0.0
      0.445389690000 0.0 1.0 0.0 0.0
      0.319723150000 0.0 0.0 1.0 0.0
      0.123117870000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       298.822518600
        99.688849450
        40.368474240
        17.388581610
         3.691943462
         1.770143833
         0.838896441
         0.371581763
         0.143816154
     -0.005324828300 0.0 0.0 0.0
     -0.034100295000 0.0 0.0 0.0
     -0.099413665000 0.0 0.0 0.0
     -0.131525450000 0.0 0.0 0.0
      0.240577630000 0.0 0.0 0.0
      0.377834670000 0.0 0.0 0.0
      0.355704900000 1.0 0.0 0.0
      0.228797510000 0.0 1.0 0.0
      0.075976821000 0.0 0.0 1.0
*
* Core AIMP:Np DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    692910.030000000
    171167.927000000
     58915.753400000
     21982.984100000
      8592.328020000
      3393.112680000
      1393.851470000
       646.525627000
       243.857982000
       121.917386000
        25.067918300
        16.211479000
         4.854374290
         2.672808300
         1.363604310
      0.056649905564
      0.043436628709
      0.065770522257
      0.094786146464
      0.124759143664
      0.164114805249
      0.281728447088
      0.355956331902
      0.294490937469
      0.911936528656
      1.274423729733
      0.405253743324
      0.719271869725
      0.373479207057
      0.033942053140
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    8792.865800    1663.607320     427.918580     113.227718      26.406360
 3287011100000.000000000
  309271640000.000000000
   48590502000.000000000
    9951957400.000000000
    2475550800.000000000
     722455650.000000000
     241498670.000000000
      86617857.000000000
      30900291.000000000
      10755812.000000000
       3724315.800000000
       1313674.800000000
        479904.760000000
        184555.740000000
         75318.558000000
         32758.743000000
         15113.137000000
          7261.042500000
          3578.273300000
          1803.324700000
           925.209360000
           469.330400000
           242.991170000
           126.219420000
            70.359158000
            39.226176000
            21.236276000
            12.266147000
             6.786543900
             3.223002900
             1.618501700
             0.759465830
             0.334116280
             0.076194384
             0.030511841
    0.000002000000   -0.000000800000    0.000000400000    0.000000200000   -0.000000100000
    0.000007799999   -0.000003300000    0.000001600000    0.000000800000   -0.000000400000
    0.000022599998   -0.000009600001    0.000004700000    0.000002400000   -0.000001200000
    0.000056099996   -0.000023700003    0.000011600000    0.000006000000   -0.000003000000
    0.000122399990   -0.000051500007    0.000025199999    0.000013100001   -0.000006500000
    0.000239299981   -0.000100400013    0.000049099998    0.000025600002   -0.000012700000
    0.000434399966   -0.000182100024    0.000088999996    0.000046300003   -0.000023100000
    0.000810399936   -0.000339300045    0.000165899993    0.000086300006   -0.000043000000
    0.001587199875   -0.000664200088    0.000324799987    0.000169000011   -0.000084100000
    0.003125399755   -0.001308100173    0.000639699975    0.000332800022   -0.000165700000
    0.006011699528   -0.002520000334    0.001232699951    0.000641400043   -0.000319400000
    0.011229199118   -0.004724900626    0.002312799908    0.001203600080   -0.000599300000
    0.020218098413   -0.008567301135    0.004198799833    0.002186000146   -0.001088700001
    0.034877497262   -0.014959201981    0.007347299708    0.003826800256   -0.001905600001
    0.057686595471   -0.025215503339    0.012425899506    0.006478900433   -0.003228800002
    0.090941692860   -0.040933005421    0.020278399195    0.010582600707   -0.005270400003
    0.137638789194   -0.064656308563    0.032277598718    0.016891901129   -0.008432900005
    0.198641584405   -0.099573513187    0.050330498001    0.026384401764   -0.013139800008
    0.254056680055   -0.139191518433    0.071568297157    0.037782202525   -0.018948300012
    0.249432580418   -0.147769919570    0.077167596935    0.040677202719   -0.020176900013
    0.150016688223   -0.036837504878    0.009816199610    0.004095700274   -0.002229500001
    0.035188797237    0.277186636708   -0.227156390978   -0.135722409072    0.070954400045
   -0.000025099998    0.526469769722   -0.535182878744   -0.336087122464    0.174383300111
    0.000909699929    0.299674139687   -0.314239187519   -0.216356714461    0.122392900078
   -0.000740099942    0.028877603824    0.537772378641    0.568440337994   -0.357271600228
    0.000483299962    0.009108801206    0.694550472414    0.953851663755   -0.597341000382
   -0.000345699973   -0.005283600700    0.197833792142   -0.043347502897    0.026559900017
    0.000235799981    0.003243000429   -0.001510199940   -0.981795365623    1.203493000769
   -0.000113099991   -0.001629300216    0.005279799790   -0.451489730177    0.540219500345
    0.000049299996    0.000730900097   -0.002125999916   -0.024051801608   -1.129907900722
   -0.000025399998   -0.000364000048    0.000905899964    0.000125000008   -0.529210800338
    0.000010399999    0.000149300020   -0.000373599985    0.000027100002   -0.011808800008
   -0.000003200000   -0.000046500006    0.000120499995    0.000024800002   -0.003062500002
    0.000000800000    0.000011100001   -0.000027799999    0.000008100001    0.000594400000
   -0.000000300000   -0.000004400001    0.000011200000   -0.000003100000   -0.000241200000
   26    4
    1386.277920     349.984220      87.312924      18.123989
 504340890.000000000
  71015026.000000000
  14335463.000000000
   3539746.400000000
   1010819.600000000
    323284.150000000
    113257.890000000
     42991.890000000
     17520.483000000
      7586.654500000
      3460.618800000
      1654.022000000
       824.306390000
       426.361460000
       227.354340000
       123.768950000
        68.504786000
        38.304414000
        21.154801000
        11.731538000
         6.443004200
         3.444696800
         1.785248800
         0.801358810
         0.370185950
         0.151877850
    0.000006600001   -0.000003500000   -0.000001800000   -0.000000900000
    0.000021000002   -0.000011100001   -0.000005800000   -0.000002800000
    0.000057700005   -0.000030600002   -0.000016000000   -0.000007700000
    0.000144600013   -0.000076700006   -0.000040099999   -0.000019300001
    0.000343800030   -0.000182700014   -0.000095599999   -0.000046100002
    0.000798300071   -0.000425400034   -0.000222799997   -0.000107300005
    0.001845800163   -0.000987600078   -0.000517799993   -0.000249400011
    0.004280700378   -0.002302800181   -0.001208799984   -0.000582700026
    0.010031400887   -0.005439400429   -0.002860899963   -0.001379200062
    0.023694502094   -0.012994901024   -0.006855299912   -0.003309000150
    0.055141904874   -0.030799802426   -0.016320099789   -0.007881800357
    0.119899710598   -0.068837105423   -0.036747999526   -0.017796700806
    0.224102719809   -0.133695010533   -0.072071699070   -0.034952801582
    0.320395328320   -0.197497415559   -0.107575598612   -0.052413902373
    0.293960225983   -0.147608811629   -0.072895599059   -0.034267301551
    0.136426012059    0.134610410605    0.123791798402    0.067278603046
    0.021368301889    0.474379637372    0.415317694640    0.229386910385
    0.001024700091    0.408001332143    0.310477495993    0.156426407082
   -0.000318500028    0.116909709210   -0.316504495915   -0.257041211637
    0.000090600008    0.006439000507   -0.649569291617   -0.597584727054
   -0.000091800008    0.001030900081   -0.274976496451   -0.074740303384
    0.000058500005   -0.000537700042   -0.025390999672    0.684211930976
   -0.000020400002    0.000132900010   -0.001061099986    0.505178822871
    0.000009400001   -0.000066000005    0.000204899997    0.066814203025
   -0.000003800000    0.000027200002   -0.000047799999   -0.002579200117
    0.000001000000   -0.000006800001    0.000010500000    0.000670300030
   18    3
     278.712940      60.008976       8.767590
     34958.747000000
      9426.941400000
      3427.049500000
      1435.099300000
       657.856750000
       322.215950000
       166.444300000
        89.721051000
        50.481275000
        29.096644000
        16.287437000
         8.979422700
         4.772371500
         2.452306500
         1.196315500
         0.516925970
         0.202595930
         0.070403108
    0.000110500000    0.000062100001    0.000027600000
    0.000620299999    0.000349700005    0.000155600000
    0.002917799996    0.001651600024    0.000734500002
    0.012115299985    0.006905000100    0.003079800009
    0.042438599946    0.024447400355    0.010915500031
    0.118961699850    0.069780101015    0.031336100088
    0.245998999689    0.145203002111    0.065160400182
    0.344366899565    0.193893602819    0.086345600242
    0.286559999638    0.093524001360    0.030377700085
    0.134171799831   -0.182296502651   -0.116685800327
    0.028161399964   -0.448715306525   -0.271393400760
    0.000711699999   -0.385684205608   -0.175627200492
    0.000443599999   -0.116547201695    0.280469200785
   -0.000202100000   -0.006692400097    0.554481601552
    0.000072300000   -0.000518500008    0.315039100882
   -0.000030000000    0.000226400003    0.046819000131
    0.000009500000   -0.000063300001   -0.000799000002
   -0.000003400000    0.000023000000    0.000189500001
   13    1
      31.766720
      2157.781700000
       724.228460000
       306.904670000
       146.967490000
        74.902419000
        39.634205000
        21.085597000
        11.083325000
         5.639462900
         2.670592200
         1.208172000
         0.507211150
         0.186549130
   -0.000183300016
   -0.001671500148
   -0.009668700857
   -0.038638403425
   -0.111193109855
   -0.233784920721
   -0.345237630599
   -0.337525229915
   -0.176335215629
   -0.032365502869
   -0.000123000011
   -0.000371900033
    0.000075600007
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Np.AE.Paulovic.35s26p18d13f.7s5p4d2f.93e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32870111D+13 0.30927164D+12 0.48590502D+11 0.99519574D+10 0.24755508D+10 0.72245565D+09
 0.24149867D+09 0.86617857D+08 0.30900291D+08 0.10755812D+08 0.37243158D+07 0.13136748D+07
 0.47990476D+06 0.18455574D+06 0.75318558D+05 0.32758743D+05 0.15113137D+05 0.72610425D+04
 0.35782733D+04 0.18033247D+04 0.92520936D+03 0.46933040D+03 0.24299117D+03 0.12621942D+03
 0.70359158D+02 0.39226176D+02 0.21236276D+02 0.12266147D+02 0.67865439D+01 0.32230029D+01
 0.16185017D+01 0.75946583D+00 0.33411628D+00 0.76194384D-01 0.30511841D-01
 0.0000020 -0.0000008  0.0000004  0.0000002 -0.0000001  0.0000000  0.0000000 0.0 0.0 0.0 0.0
 0.0000078 -0.0000033  0.0000016  0.0000008 -0.0000004  0.0000002 -0.0000001 0.0 0.0 0.0 0.0
 0.0000226 -0.0000096  0.0000047  0.0000024 -0.0000012  0.0000005 -0.0000002 0.0 0.0 0.0 0.0
 0.0000561 -0.0000237  0.0000116  0.0000060 -0.0000030  0.0000013 -0.0000004 0.0 0.0 0.0 0.0
 0.0001224 -0.0000515  0.0000252  0.0000131 -0.0000065  0.0000029 -0.0000008 0.0 0.0 0.0 0.0
 0.0002393 -0.0001004  0.0000491  0.0000256 -0.0000127  0.0000056 -0.0000017 0.0 0.0 0.0 0.0
 0.0004344 -0.0001821  0.0000890  0.0000463 -0.0000231  0.0000102 -0.0000030 0.0 0.0 0.0 0.0
 0.0008104 -0.0003393  0.0001659  0.0000863 -0.0000430  0.0000191 -0.0000056 0.0 0.0 0.0 0.0
 0.0015872 -0.0006642  0.0003248  0.0001690 -0.0000841  0.0000373 -0.0000109 0.0 0.0 0.0 0.0
 0.0031254 -0.0013081  0.0006397  0.0003328 -0.0001657  0.0000735 -0.0000215 0.0 0.0 0.0 0.0
 0.0060117 -0.0025200  0.0012327  0.0006414 -0.0003194  0.0001417 -0.0000415 0.0 0.0 0.0 0.0
 0.0112292 -0.0047249  0.0023128  0.0012036 -0.0005993  0.0002658 -0.0000778 0.0 0.0 0.0 0.0
 0.0202181 -0.0085673  0.0041989  0.0021860 -0.0010887  0.0004829 -0.0001413 0.0 0.0 0.0 0.0
 0.0348775 -0.0149592  0.0073473  0.0038267 -0.0019056  0.0008451 -0.0002474 0.0 0.0 0.0 0.0
 0.0576866 -0.0252155  0.0124259  0.0064789 -0.0032288  0.0014322 -0.0004191 0.0 0.0 0.0 0.0
 0.0909417 -0.0409330  0.0202784  0.0105825 -0.0052705  0.0023375 -0.0006846 0.0 0.0 0.0 0.0
 0.1376388 -0.0646562  0.0322776  0.0168918 -0.0084329  0.0037425 -0.0010945 0.0 0.0 0.0 0.0
 0.1986416 -0.0995735  0.0503306  0.0263843 -0.0131399  0.0058272 -0.0017085 0.0 0.0 0.0 0.0
 0.2540567 -0.1391915  0.0715684  0.0377821 -0.0189485  0.0084196 -0.0024591 0.0 0.0 0.0 0.0
 0.2494327 -0.1477698  0.0771676  0.0406770 -0.0201770  0.0089365 -0.0026292 0.0 0.0 0.0 0.0
 0.1500167 -0.0368376  0.0098163  0.0040957 -0.0022296  0.0010176 -0.0002706 0.0 0.0 0.0 0.0
 0.0351888  0.2771867 -0.2271569 -0.1357219  0.0709552 -0.0318629  0.0092857 0.0 0.0 0.0 0.0
-0.0000251  0.5264697 -0.5351834 -0.3360857  0.1743840 -0.0780845  0.0230258 0.0 0.0 0.0 0.0
 0.0009097  0.2996746 -0.3142397 -0.2163555  0.1223946 -0.0561227  0.0162050 0.0 0.0 0.0 0.0
-0.0007401  0.0288770  0.5377750  0.5684384 -0.3572769  0.1679247 -0.0489617 0.0 0.0 0.0 0.0
 0.0004834  0.0091091  0.6945512  0.9538493 -0.5973394  0.2799648 -0.0839383 0.0 0.0 0.0 0.0
-0.0003459 -0.0052839  0.1978339 -0.0433486  0.0265559 -0.0069351  0.0041567 0.0 0.0 0.0 0.0
 0.0002360  0.0032431 -0.0015120 -0.9817925  1.2035061 -0.6811274  0.2036025 0.0 0.0 0.0 0.0
-0.0001132 -0.0016294  0.0052791 -0.4514903  0.5402113 -0.3007260  0.0969215 0.0 0.0 0.0 0.0
 0.0000493  0.0007309 -0.0021270 -0.0240535 -1.1299113  1.0186518 -0.3439690 0.0 0.0 0.0 0.0
-0.0000255 -0.0003640  0.0009060  0.0001248 -0.5292063  0.6725679 -0.2314475 0.0 0.0 0.0 0.0
 0.0000104  0.0001493 -0.0003738  0.0000279 -0.0118140 -0.8603498  0.3717101 1.0 0.0 0.0 0.0
-0.0000032 -0.0000465  0.0001210  0.0000241 -0.0030538 -0.7226074  0.5138832 0.0 1.0 0.0 0.0
 0.0000008  0.0000111 -0.0000281  0.0000085  0.0005908 -0.0262723 -0.5456129 0.0 0.0 1.0 0.0
-0.0000003 -0.0000045  0.0000110 -0.0000008 -0.0002405  0.0057739 -0.6823735 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50434089D+09 0.71015026D+08 0.14335463D+08 0.35397464D+07 0.10108196D+07 0.32328415D+06
 0.11325789D+06 0.42991890D+05 0.17520483D+05 0.75866545D+04 0.34606188D+04 0.16540220D+04
 0.82430639D+03 0.42636146D+03 0.22735434D+03 0.12376895D+03 0.68504786D+02 0.38304414D+02
 0.21154801D+02 0.11731538D+02 0.64430042D+01 0.34446968D+01 0.17852488D+01 0.80135881D+00
 0.37018595D+00 0.15187785D+00
 0.0000066 -0.0000035 -0.0000018 -0.0000009  0.0000004 0.0 0.0 0.0 0.0
 0.0000210 -0.0000111 -0.0000058 -0.0000028  0.0000011 0.0 0.0 0.0 0.0
 0.0000577 -0.0000306 -0.0000160 -0.0000077  0.0000031 0.0 0.0 0.0 0.0
 0.0001446 -0.0000767 -0.0000401 -0.0000193  0.0000077 0.0 0.0 0.0 0.0
 0.0003438 -0.0001827 -0.0000956 -0.0000461  0.0000183 0.0 0.0 0.0 0.0
 0.0007983 -0.0004254 -0.0002228 -0.0001073  0.0000426 0.0 0.0 0.0 0.0
 0.0018458 -0.0009876 -0.0005178 -0.0002494  0.0000991 0.0 0.0 0.0 0.0
 0.0042807 -0.0023028 -0.0012088 -0.0005827  0.0002315 0.0 0.0 0.0 0.0
 0.0100314 -0.0054394 -0.0028609 -0.0013792  0.0005484 0.0 0.0 0.0 0.0
 0.0236945 -0.0129949 -0.0068553 -0.0033090  0.0013150 0.0 0.0 0.0 0.0
 0.0551419 -0.0307998 -0.0163201 -0.0078818  0.0031362 0.0 0.0 0.0 0.0
 0.1198997 -0.0688371 -0.0367480 -0.0177967  0.0070750 0.0 0.0 0.0 0.0
 0.2241027 -0.1336950 -0.0720717 -0.0349528  0.0139288 0.0 0.0 0.0 0.0
 0.3203953 -0.1974974 -0.1075756 -0.0524139  0.0208369 0.0 0.0 0.0 0.0
 0.2939602 -0.1476088 -0.0728956 -0.0342673  0.0136538 0.0 0.0 0.0 0.0
 0.1364260  0.1346104  0.1237918  0.0672786 -0.0277059 0.0 0.0 0.0 0.0
 0.0213683  0.4743796  0.4153177  0.2293869 -0.0933562 0.0 0.0 0.0 0.0
 0.0010247  0.4080013  0.3104775  0.1564264 -0.0637916 0.0 0.0 0.0 0.0
-0.0003185  0.1169097 -0.3165044 -0.2570411  0.1159172 0.0 0.0 0.0 0.0
 0.0000906  0.0064390 -0.6495693 -0.5975847  0.2714769 0.0 0.0 0.0 0.0
-0.0000918  0.0010309 -0.2749766 -0.0747403  0.0129785 0.0 0.0 0.0 0.0
 0.0000585 -0.0005377 -0.0253910  0.6842118 -0.4538069 0.0 0.0 0.0 0.0
-0.0000204  0.0001329 -0.0010611  0.5051789 -0.3299371 1.0 0.0 0.0 0.0
 0.0000094 -0.0000660  0.0002049  0.0668142  0.4255574 0.0 1.0 0.0 0.0
-0.0000038  0.0000272 -0.0000478 -0.0025792  0.6518576 0.0 0.0 1.0 0.0
 0.0000010 -0.0000068  0.0000105  0.0006703  0.1846695 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.34958747D+05 0.94269414D+04 0.34270495D+04 0.14350993D+04 0.65785675D+03 0.32221595D+03
 0.16644430D+03 0.89721051D+02 0.50481275D+02 0.29096644D+02 0.16287437D+02 0.89794227D+01
 0.47723715D+01 0.24523065D+01 0.11963155D+01 0.51692597D+00 0.20259593D+00 0.70403108D-01
 0.0001105  0.0000621  0.0000276 -0.0000076 0.0 0.0 0.0 0.0
 0.0006203  0.0003497  0.0001556 -0.0000429 0.0 0.0 0.0 0.0
 0.0029178  0.0016516  0.0007345 -0.0002021 0.0 0.0 0.0 0.0
 0.0121153  0.0069050  0.0030798 -0.0008490 0.0 0.0 0.0 0.0
 0.0424386  0.0244474  0.0109155 -0.0030055 0.0 0.0 0.0 0.0
 0.1189617  0.0697801  0.0313361 -0.0086481 0.0 0.0 0.0 0.0
 0.2459990  0.1452030  0.0651604 -0.0179481 0.0 0.0 0.0 0.0
 0.3443669  0.1938936  0.0863456 -0.0238315 0.0 0.0 0.0 0.0
 0.2865600  0.0935240  0.0303777 -0.0077240 0.0 0.0 0.0 0.0
 0.1341718 -0.1822965 -0.1166858  0.0335381 0.0 0.0 0.0 0.0
 0.0281614 -0.4487153 -0.2713934  0.0787021 0.0 0.0 0.0 0.0
 0.0007117 -0.3856842 -0.1756272  0.0459666 0.0 0.0 0.0 0.0
 0.0004436 -0.1165473  0.2804691 -0.1006272 0.0 0.0 0.0 0.0
-0.0002021 -0.0066924  0.5544816 -0.2044354 0.0 0.0 0.0 0.0
 0.0000723 -0.0005185  0.3150392 -0.0414228 1.0 0.0 0.0 0.0
-0.0000300  0.0002264  0.0468189  0.3334217 0.0 1.0 0.0 0.0
 0.0000095 -0.0000633 -0.0007990  0.5438457 0.0 0.0 1.0 0.0
-0.0000034  0.0000230  0.0001895  0.3287978 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21577817D+04 0.72422846D+03 0.30690467D+03 0.14696749D+03 0.74902419D+02 0.39634205D+02
 0.21085597D+02 0.11083325D+02 0.56394629D+01 0.26705922D+01 0.12081720D+01 0.50721115D+00
 0.18654913D+00
-0.0001833 -0.0000579 0.0 0.0 0.0
-0.0016715 -0.0005316 0.0 0.0 0.0
-0.0096687 -0.0030732 0.0 0.0 0.0
-0.0386384 -0.0123433 0.0 0.0 0.0
-0.1111931 -0.0355779 0.0 0.0 0.0
-0.2337849 -0.0740488 0.0 0.0 0.0
-0.3452376 -0.1008976 0.0 0.0 0.0
-0.3375252 -0.0700163 0.0 0.0 0.0
-0.1763352  0.1014411 0.0 0.0 0.0
-0.0323655  0.3348600 0.0 0.0 0.0
-0.0001230  0.4236229 1.0 0.0 0.0
-0.0003719  0.3170297 0.0 1.0 0.0
 0.0000756  0.1268070 0.0 0.0 1.0
*
End

*
/Pu.ECP.Paulovic.14s10p11d9f.2s1p1d1f.16e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on PuQR(7K)
*
 16.000000         3

* S-type functions
   14    6
  10825697.689999999
    934016.326800000
    120475.406800000
     18914.035030000
      3771.697960000
       286.368433700
        48.177738210
        11.614691320
         2.869184574
         1.717143661
         0.640774537
         0.304468385
         0.067465600
         0.025997120
      0.000186749610     -0.000054580290 0.0 0.0 0.0 0.0
      0.000727630730     -0.000212664940 0.0 0.0 0.0 0.0
      0.002446748500     -0.000715092530 0.0 0.0 0.0 0.0
      0.007583424200     -0.002216627400 0.0 0.0 0.0 0.0
      0.017888063000     -0.005228005400 0.0 0.0 0.0 0.0
     -0.116099140000      0.033996711000 0.0 0.0 0.0 0.0
      0.380822070000     -0.112465130000 0.0 0.0 0.0 0.0
     -0.844807290000      0.256821280000 0.0 0.0 0.0 0.0
      1.158182400000     -0.391263750000 0.0 0.0 0.0 0.0
      0.246883710000     -0.087690754000 0.0 0.0 0.0 0.0
     -0.924256840000      0.458828410000 1.0 0.0 0.0 0.0
     -0.503218200000      0.370292590000 0.0 1.0 0.0 0.0
     -0.014843535000     -0.767450090000 0.0 0.0 1.0 0.0
      0.003458240500     -0.463761970000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
      9935.137042000
      1860.629841000
       515.149359100
        70.027214590
        13.645316800
         3.579607395
         2.422558371
         0.614165768
         0.282621266
         0.116225744
      0.002355302900 0.0 0.0 0.0 0.0
      0.012525230000 0.0 0.0 0.0 0.0
      0.034617033000 0.0 0.0 0.0 0.0
     -0.137021910000 0.0 0.0 0.0 0.0
      0.343040900000 0.0 0.0 0.0 0.0
     -0.320804170000 0.0 0.0 0.0 0.0
     -0.356639780000 1.0 0.0 0.0 0.0
      0.628029540000 0.0 1.0 0.0 0.0
      0.471990220000 0.0 0.0 1.0 0.0
      0.076947204000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1071.530913000
       302.970812200
       109.880935700
        20.406584950
         9.711224009
         4.860687029
         2.336365980
         0.509240752
         0.233647111
         0.100044785
         0.038899044
      0.002449404900 0.0 0.0 0.0 0.0
      0.014271678000 0.0 0.0 0.0 0.0
      0.032904033000 0.0 0.0 0.0 0.0
     -0.080909402000 0.0 0.0 0.0 0.0
     -0.059564225000 0.0 0.0 0.0 0.0
      0.109185550000 0.0 0.0 0.0 0.0
      0.188610340000 0.0 0.0 0.0 0.0
     -0.249418860000 1.0 0.0 0.0 0.0
     -0.399991920000 0.0 1.0 0.0 0.0
     -0.396655470000 0.0 0.0 1.0 0.0
     -0.174994870000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       308.430770200
       103.434381500
        41.914616300
        18.127774090
         3.903697853
         1.879818772
         0.891532518
         0.398930830
         0.158077310
     -0.005536083200 0.0 0.0 0.0
     -0.035388182000 0.0 0.0 0.0
     -0.103783350000 0.0 0.0 0.0
     -0.136982550000 0.0 0.0 0.0
      0.249057700000 0.0 0.0 0.0
      0.388332480000 0.0 0.0 0.0
      0.353568440000 1.0 0.0 0.0
      0.210573490000 0.0 1.0 0.0
      0.062649709000 0.0 0.0 1.0
*
* Core AIMP:Pu DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    574832.990000000
    125580.861000000
     39086.235700000
     13376.677300000
      4784.095380000
      1757.370160000
       747.591331000
       278.094234000
       127.571158000
        26.325672000
        17.910172100
         5.143970100
         2.849302700
         1.429031900
      0.061274764229
      0.053016634366
      0.082252199536
      0.116299444309
      0.151604354529
      0.250222819922
      0.369320360108
      0.271925745484
      0.885883072290
      1.108001570476
      0.461466291922
      0.657022276516
      0.370317143173
      0.036393323139
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    9026.114800    1714.245260     442.093360     117.377714      27.236622
 3288375600000.000000000
  309120950000.000000000
   48248284000.000000000
    9936340600.000000000
    2475550800.000000000
     721082640.000000000
     241118400.000000000
      86617857.000000000
      30900291.000000000
      10755812.000000000
       3727408.600000000
       1313692.600000000
        479941.380000000
        184552.580000000
         75297.126000000
         32745.839000000
         15113.137000000
          7261.042500000
          3576.776400000
          1802.953000000
           923.851830000
           472.462130000
           242.447830000
           123.826810000
            70.399362000
            39.238956000
            21.290133000
            12.030940000
             6.720994300
             3.315526600
             1.559170200
             0.760209520
             0.321705600
             0.077939585
             0.030139489
    0.000002200000   -0.000000900000    0.000000500000    0.000000200000   -0.000000100000
    0.000008600000   -0.000003700000    0.000001800000    0.000000900000   -0.000000500000
    0.000024699999   -0.000010500000    0.000005100000    0.000002700000   -0.000001300000
    0.000060499998   -0.000025700000    0.000012600000    0.000006599999   -0.000003300000
    0.000131899996   -0.000055800000    0.000027299999    0.000014299999   -0.000007100000
    0.000256999993   -0.000108499999    0.000053099998    0.000027699998   -0.000013900000
    0.000463599987   -0.000195499998    0.000095699997    0.000049899996   -0.000024999999
    0.000861599975   -0.000362799997    0.000177699995    0.000092599992   -0.000046399999
    0.001684799952   -0.000709099994    0.000347199990    0.000180999984   -0.000090599998
    0.003300199906   -0.001389199989    0.000680199981    0.000354699968   -0.000177499995
    0.006328899819   -0.002668199979    0.001306799963    0.000681599939   -0.000341099991
    0.011786299663   -0.004987799961    0.002444599930    0.001275099885   -0.000638199983
    0.021117399396   -0.009001199930    0.004417299874    0.002304899793   -0.001153899969
    0.036297198963   -0.015660699878    0.007701699780    0.004020599639   -0.002012899945
    0.059754598292   -0.026286599796    0.012972599629    0.006779099391   -0.003395299908
    0.093674397323   -0.042431799671    0.021048699398    0.011011499011   -0.005515399850
    0.140759295977   -0.066612399483    0.033314699046    0.017472098430   -0.008761499762
    0.201788294233   -0.101799899210    0.051519998525    0.027082597566   -0.013577799631
    0.254872492715   -0.140665598908    0.072490897925    0.038336196555   -0.019281599475
    0.246090992966   -0.144434998879    0.075160897849    0.039726796430   -0.019909199458
    0.143656195894   -0.026831399792    0.003384999903    0.000331099970   -0.000069599998
    0.031601099097    0.293520897721   -0.242547193058   -0.145158886956    0.075721297940
    0.000611699983    0.535058495846   -0.549775384264   -0.348292768703    0.183359295011
    0.000279499992    0.281319597816   -0.279236192008   -0.189936682932    0.105582197127
   -0.000220899994    0.015822299877    0.583158383309    0.619135244365   -0.385171489520
    0.000093599997    0.011783999909    0.668225380874    0.940789215461   -0.608286683450
   -0.000056199998   -0.006713699948    0.178963494878   -0.148937586617    0.140911996166
    0.000040399999    0.004079099968   -0.002745299921   -0.993084410762    1.236347466362
   -0.000018299999   -0.002131699983    0.005133999853   -0.376013466212    0.441945087976
    0.000006900000    0.000916299993   -0.002109999940   -0.022909797941   -1.193057067540
   -0.000003500000   -0.000423899997    0.000839399976    0.001390299875   -0.498566586435
    0.000001600000    0.000187999999   -0.000375699989   -0.000699299937    0.019268099476
   -0.000000400000   -0.000055700000    0.000115499997    0.000251699977   -0.009605199739
    0.000000100000    0.000014200000   -0.000028599999   -0.000054999995    0.002233899939
    0.000000000000   -0.000005400000    0.000010900000    0.000021199998   -0.000849799977
   26    4
    1423.192480     360.550540      90.285142      18.557242
 504149370.000000000
  70978257.000000000
  14299984.000000000
   3533643.200000000
   1009014.300000000
    322840.240000000
    113159.350000000
     42985.918000000
     17521.746000000
      7587.473900000
      3461.031000000
      1653.768300000
       824.246180000
       426.324390000
       227.329510000
       123.695340000
        68.549377000
        38.321450000
        21.126263000
        11.741960000
         6.427229000
         3.458391400
         1.792928800
         0.808709080
         0.369493020
         0.152165480
    0.000007000000   -0.000003700000   -0.000002000000   -0.000000900000
    0.000022399999   -0.000011900000   -0.000006200000   -0.000003000000
    0.000061299997   -0.000032499999   -0.000017100000   -0.000008299999
    0.000153199992   -0.000081399997   -0.000042700000   -0.000020699999
    0.000363799982   -0.000193699993   -0.000101699999   -0.000049199997
    0.000842499957   -0.000449899984   -0.000236399998   -0.000114499992
    0.001942899902   -0.001041899963   -0.000547899994   -0.000265399982
    0.004491999773   -0.002422099915   -0.001275399987   -0.000617999958
    0.010501799469   -0.005708799799   -0.003012199968   -0.001460199902
    0.024709898751   -0.013588599521   -0.007191699924   -0.003489799765
    0.057283297104   -0.032093698870   -0.017062899820   -0.008287099443
    0.123763793743   -0.071291997490   -0.038189199597   -0.018592498750
    0.229121488416   -0.137160195170   -0.074203899217   -0.036199097565
    0.322787583681   -0.199120792988   -0.108746698853   -0.053237096420
    0.289178185380   -0.140185595064   -0.068030399283   -0.031991297848
    0.129379793459    0.152471094631    0.137954398545    0.075500994922
    0.018825399048    0.482542483008    0.425757495510    0.236485684095
    0.001038999947    0.395026386090    0.288865296954    0.144007490315
   -0.000414399979    0.106807996239   -0.350158796307   -0.286718280717
    0.000154999992    0.004970099825   -0.645430993193   -0.602782359460
   -0.000125499994    0.001038099963   -0.251904397343   -0.020274998636
    0.000077299996   -0.000567699980   -0.019772299791    0.702525852751
   -0.000029099999    0.000147899995   -0.001473599984    0.470951868326
    0.000012699999   -0.000070499998    0.000351099996    0.059402496005
   -0.000005100000    0.000028099999   -0.000111699999   -0.001627899891
    0.000001300000   -0.000007300000    0.000025400000    0.000539399964
   18    3
     287.085500      62.130310       8.889926
     41478.171000000
     10322.581000000
      3542.567700000
      1441.811600000
       654.428050000
       320.471690000
       166.156990000
        89.665823000
        49.944825000
        28.278501000
        15.969977000
         9.144998100
         5.264708900
         3.012235400
         2.093703800
         1.496035600
         0.805327910
         0.362063640
    0.000094699993   -0.000053499995   -0.000023900001
    0.000602199958   -0.000341099969   -0.000152600004
    0.003037099790   -0.001727099844   -0.000772600019
    0.012901199108   -0.007392499333   -0.003315500080
    0.045010996888   -0.026064997646   -0.011710000283
    0.123932491431   -0.073138493396   -0.033033300798
    0.251188782633   -0.148804086564   -0.067183201623
    0.348870475879   -0.196497182258   -0.087769402121
    0.286693180178   -0.080895992696   -0.022993600556
    0.122136291556    0.215831380512    0.137092703312
    0.021870498488    0.443605159945    0.269554306513
    0.000804199944    0.345223668828    0.155830003765
    0.000404599972    0.116495689481   -0.212224405128
   -0.000390799973    0.015114798635   -0.422957810219
    0.000344899976   -0.000100499991   -0.143109203458
   -0.000169999988    0.000583199947   -0.292823807075
    0.000023499998   -0.000069199994   -0.114775502773
   -0.000005200000    0.000002300000   -0.012115900293
   13    1
      33.214736
      2127.885900000
       721.859990000
       307.203420000
       147.076710000
        74.941263000
        39.658517000
        21.136975000
        11.164745000
         5.698560000
         2.679885600
         1.193758300
         0.489250430
         0.174389740
   -0.000202800014
   -0.001796400126
   -0.010325800723
   -0.040983602871
   -0.116844508186
   -0.241483616917
   -0.348026824381
   -0.330618723162
   -0.166214811644
   -0.028147901972
    0.000053300004
   -0.000340000024
    0.000067800005
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Pu.AE.Paulovic.35s26p18d13f.7s5p4d2f.94e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32781155D+13 0.30912095D+12 0.48778233D+11 0.10068205D+11 0.24958917D+10 0.72333955D+09
 0.24111840D+09 0.86617857D+08 0.30900291D+08 0.10755812D+08 0.37274086D+07 0.13136285D+07
 0.47991795D+06 0.18458951D+06 0.75320450D+05 0.32755376D+05 0.15113137D+05 0.72610425D+04
 0.35767764D+04 0.18038000D+04 0.92741176D+03 0.47170277D+03 0.24284770D+03 0.12390451D+03
 0.71154470D+02 0.39271052D+02 0.21186551D+02 0.12043577D+02 0.67219276D+01 0.32143039D+01
 0.15591682D+01 0.76000372D+00 0.32171461D+00 0.77796063D-01 0.29873307D-01
 0.0000022 -0.0000009  0.0000005  0.0000002 -0.0000001  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000086 -0.0000037  0.0000018  0.0000009 -0.0000005  0.0000002 -0.0000001 0.0 0.0 0.0 0.0
 0.0000244 -0.0000104  0.0000051  0.0000027 -0.0000013  0.0000006 -0.0000002 0.0 0.0 0.0 0.0
 0.0000601 -0.0000255  0.0000125  0.0000065 -0.0000033  0.0000015 -0.0000004 0.0 0.0 0.0 0.0
 0.0001317 -0.0000557  0.0000273  0.0000142 -0.0000071  0.0000032 -0.0000009 0.0 0.0 0.0 0.0
 0.0002575 -0.0001087  0.0000532  0.0000278 -0.0000139  0.0000062 -0.0000018 0.0 0.0 0.0 0.0
 0.0004642 -0.0001957  0.0000958  0.0000500 -0.0000250  0.0000111 -0.0000033 0.0 0.0 0.0 0.0
 0.0008613 -0.0003627  0.0001776  0.0000926 -0.0000464  0.0000206 -0.0000061 0.0 0.0 0.0 0.0
 0.0016850 -0.0007091  0.0003472  0.0001811 -0.0000907  0.0000403 -0.0000118 0.0 0.0 0.0 0.0
 0.0033000 -0.0013891  0.0006801  0.0003547 -0.0001776  0.0000790 -0.0000232 0.0 0.0 0.0 0.0
 0.0063290 -0.0026682  0.0013068  0.0006816 -0.0003414  0.0001518 -0.0000445 0.0 0.0 0.0 0.0
 0.0117876 -0.0049885  0.0024449  0.0012753 -0.0006387  0.0002840 -0.0000833 0.0 0.0 0.0 0.0
 0.0211147 -0.0089997  0.0044165  0.0023047 -0.0011546  0.0005135 -0.0001506 0.0 0.0 0.0 0.0
 0.0362838 -0.0156558  0.0076992  0.0040195 -0.0020134  0.0008953 -0.0002627 0.0 0.0 0.0 0.0
 0.0597402 -0.0262768  0.0129680  0.0067774 -0.0033973  0.0015111 -0.0004432 0.0 0.0 0.0 0.0
 0.0936742 -0.0424401  0.0210522  0.0110130 -0.0055178  0.0024536 -0.0007201 0.0 0.0 0.0 0.0
 0.1408147 -0.0666121  0.0333164  0.0174767 -0.0087751  0.0039054 -0.0011451 0.0 0.0 0.0 0.0
 0.2017220 -0.1018361  0.0515336  0.0270841 -0.0135722  0.0060336 -0.0017720 0.0 0.0 0.0 0.0
 0.2549769 -0.1405355  0.0724336  0.0383262 -0.0193271  0.0086153 -0.0025239 0.0 0.0 0.0 0.0
 0.2453933 -0.1445533  0.0752178  0.0397188 -0.0198269  0.0087938 -0.0025883 0.0 0.0 0.0 0.0
 0.1437411 -0.0261622  0.0031014  0.0002788 -0.0002467  0.0001564 -0.0000290 0.0 0.0 0.0 0.0
 0.0325138  0.2927793 -0.2426321 -0.1455049  0.0764146 -0.0344586  0.0100935 0.0 0.0 0.0 0.0
-0.0000078  0.5335351 -0.5464178 -0.3454562  0.1808953 -0.0811582  0.0239244 0.0 0.0 0.0 0.0
 0.0007932  0.2836554 -0.2890700 -0.1992667  0.1137433 -0.0527280  0.0153751 0.0 0.0 0.0 0.0
-0.0006622  0.0142040  0.5815587  0.6169602 -0.3892496  0.1841970 -0.0541859 0.0 0.0 0.0 0.0
 0.0004052  0.0132131  0.6800914  0.9522436 -0.6058083  0.2844023 -0.0848910 0.0 0.0 0.0 0.0
-0.0002824 -0.0077054  0.1748345 -0.1539826  0.1242947 -0.0546539  0.0173253 0.0 0.0 0.0 0.0
 0.0001945  0.0047708 -0.0013809 -0.9868745  1.2679339 -0.7338221  0.2224441 0.0 0.0 0.0 0.0
-0.0000966 -0.0024284  0.0041096 -0.3813354  0.3869413 -0.1941605  0.0614961 0.0 0.0 0.0 0.0
 0.0000408  0.0010525 -0.0016518 -0.0211412 -1.1920524  1.0935405 -0.3674997 0.0 0.0 0.0 0.0
-0.0000210 -0.0005247  0.0006708  0.0013165 -0.4533435  0.5944383 -0.2113838 0.0 0.0 0.0 0.0
 0.0000091  0.0002274 -0.0002897 -0.0005516  0.0054187 -0.9807037  0.4380086 1.0 0.0 0.0 0.0
-0.0000026 -0.0000666  0.0000889  0.0002001 -0.0053331 -0.6344940  0.4788768 0.0 1.0 0.0 0.0
 0.0000007  0.0000167 -0.0000217 -0.0000387  0.0011474 -0.0098819 -0.6351738 0.0 0.0 1.0 0.0
-0.0000002 -0.0000064  0.0000086  0.0000140 -0.0004207  0.0003273 -0.6136970 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50538654D+09 0.71116197D+08 0.14360283D+08 0.35476628D+07 0.10119714D+07 0.32311412D+06
 0.11324895D+06 0.43003237D+05 0.17518345D+05 0.75868639D+04 0.34603898D+04 0.16541430D+04
 0.82430935D+03 0.42640533D+03 0.22735284D+03 0.12365800D+03 0.68534309D+02 0.38287905D+02
 0.21111975D+02 0.11731176D+02 0.64412924D+01 0.34466459D+01 0.17887219D+01 0.80763638D+00
 0.36842871D+00 0.15281276D+00
 0.0000070 -0.0000037 -0.0000020 -0.0000009  0.0000004 0.0 0.0 0.0 0.0
 0.0000223 -0.0000118 -0.0000062 -0.0000030  0.0000012 0.0 0.0 0.0 0.0
 0.0000610 -0.0000324 -0.0000170 -0.0000082  0.0000033 0.0 0.0 0.0 0.0
 0.0001528 -0.0000812 -0.0000426 -0.0000207  0.0000082 0.0 0.0 0.0 0.0
 0.0003635 -0.0001936 -0.0001016 -0.0000493  0.0000196 0.0 0.0 0.0 0.0
 0.0008428 -0.0004501 -0.0002365 -0.0001147  0.0000456 0.0 0.0 0.0 0.0
 0.0019409 -0.0010408 -0.0005473 -0.0002655  0.0001055 0.0 0.0 0.0 0.0
 0.0044950 -0.0024237 -0.0012764 -0.0006193  0.0002462 0.0 0.0 0.0 0.0
 0.0105028 -0.0057092 -0.0030126 -0.0014623  0.0005816 0.0 0.0 0.0 0.0
 0.0247181 -0.0135937 -0.0071946 -0.0034960  0.0013898 0.0 0.0 0.0 0.0
 0.0572711 -0.0320855 -0.0170599 -0.0082964  0.0033017 0.0 0.0 0.0 0.0
 0.1237095 -0.0712641 -0.0381748 -0.0186114  0.0074024 0.0 0.0 0.0 0.0
 0.2291513 -0.1371651 -0.0742143 -0.0362495  0.0144469 0.0 0.0 0.0 0.0
 0.3226640 -0.1990756 -0.1087182 -0.0533026  0.0212042 0.0 0.0 0.0 0.0
 0.2893867 -0.1402333 -0.0680820 -0.0320390  0.0127367 0.0 0.0 0.0 0.0
 0.1293429  0.1525263  0.1380930  0.0756355 -0.0310907 0.0 0.0 0.0 0.0
 0.0188185  0.4828688  0.4258970  0.2369840 -0.0966371 0.0 0.0 0.0 0.0
 0.0010160  0.3951104  0.2891104  0.1440999 -0.0584346 0.0 0.0 0.0 0.0
-0.0003966  0.1062199 -0.3521825 -0.2880656  0.1297225 0.0 0.0 0.0 0.0
 0.0001414  0.0051454 -0.6436564 -0.6038370  0.2760537 0.0 0.0 0.0 0.0
-0.0001160  0.0009091 -0.2515211 -0.0175672 -0.0203087 0.0 0.0 0.0 0.0
 0.0000718 -0.0004972 -0.0207544  0.7069730 -0.4716888 0.0 0.0 0.0 0.0
-0.0000268  0.0001182 -0.0010178  0.4672987 -0.2959550 1.0 0.0 0.0 0.0
 0.0000117 -0.0000574  0.0002173  0.0567554  0.4662354 0.0 1.0 0.0 0.0
-0.0000047  0.0000233 -0.0000548 -0.0018345  0.6313608 0.0 0.0 1.0 0.0
 0.0000012 -0.0000060  0.0000117  0.0004795  0.1648680 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.42829349D+05 0.10629422D+05 0.37193387D+04 0.15254383D+04 0.68947529D+03 0.33402402D+03
 0.17065464D+03 0.90285436D+02 0.48968966D+02 0.26724006D+02 0.14470380D+02 0.78312369D+01
 0.41278090D+01 0.21119130D+01 0.10185800D+01 0.40128074D+00 0.15110405D+00 0.52193793D-01
 0.0000912  0.0000515  0.0000231 -0.0000055 0.0 0.0 0.0 0.0
 0.0005663  0.0003209  0.0001441 -0.0000344 0.0 0.0 0.0 0.0
 0.0027435  0.0015593  0.0006996 -0.0001663 0.0 0.0 0.0 0.0
 0.0116654  0.0066828  0.0030098 -0.0007190 0.0 0.0 0.0 0.0
 0.0417225  0.0241311  0.0108710 -0.0025855 0.0 0.0 0.0 0.0
 0.1190740  0.0702181  0.0318445 -0.0076176 0.0 0.0 0.0 0.0
 0.2514771  0.1490126  0.0674739 -0.0160427 0.0 0.0 0.0 0.0
 0.3614576  0.2039913  0.0916166 -0.0219636 0.0 0.0 0.0 0.0
 0.2973136  0.0767267  0.0193725 -0.0037076 0.0 0.0 0.0 0.0
 0.1154694 -0.2638985 -0.1650050  0.0405126 0.0 0.0 0.0 0.0
 0.0152100 -0.4909947 -0.2998881  0.0760304 0.0 0.0 0.0 0.0
 0.0005938 -0.3123810 -0.0710914  0.0087092 0.0 0.0 0.0 0.0
-0.0000172 -0.0649466  0.4103671 -0.1219908 0.0 0.0 0.0 0.0
-0.0000082 -0.0020247  0.5215053 -0.1678796 0.0 0.0 0.0 0.0
-0.0000097 -0.0002212  0.2188836  0.0472485 1.0 0.0 0.0 0.0
 0.0000012  0.0000936  0.0201775  0.3752398 0.0 1.0 0.0 0.0
-0.0000008 -0.0000289 -0.0009702  0.5070161 0.0 0.0 1.0 0.0
 0.0000003  0.0000094  0.0003665  0.3030208 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21747161D+04 0.72611559D+03 0.30722081D+03 0.14710060D+03 0.74944847D+02 0.39628095D+02
 0.21042570D+02 0.11051084D+02 0.56298862D+01 0.26770306D+01 0.12231869D+01 0.52103734D+00
 0.19542018D+00
-0.0001956 -0.0000645 0.0 0.0 0.0
-0.0017938 -0.0005953 0.0 0.0 0.0
-0.0103387 -0.0034309 0.0 0.0 0.0
-0.0409533 -0.0136553 0.0 0.0 0.0
-0.1168835 -0.0390551 0.0 0.0 0.0
-0.2423521 -0.0799169 0.0 0.0 0.0
-0.3514524 -0.1062916 0.0 0.0 0.0
-0.3310882 -0.0657041 0.0 0.0 0.0
-0.1623076  0.1237518 0.0 0.0 0.0
-0.0271440  0.3560938 0.0 0.0 0.0
-0.0001090  0.4193213 1.0 0.0 0.0
-0.0003077  0.2916642 0.0 1.0 0.0
 0.0000539  0.1018384 0.0 0.0 1.0
*
End

*
/Am.ECP.Paulovic.14s10p11d9f.2s1p1d1f.17e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on AmQR(10D)
*
 17.000000         3

* S-type functions
   14    6
   9394661.453000000
    849878.592900000
    121315.801400000
     20468.541280000
      4010.393826000
       295.288828000
        50.203272040
        11.636943100
         4.876562961
         2.618173671
         0.625672839
         0.280394924
         0.065970808
         0.028146824
      0.000211640070     -0.000055967168 0.0 0.0 0.0 0.0
      0.000772659010     -0.000204329690 0.0 0.0 0.0 0.0
      0.002370970200     -0.000626987020 0.0 0.0 0.0 0.0
      0.007241996800     -0.001915301100 0.0 0.0 0.0 0.0
      0.017676282000     -0.004674418800 0.0 0.0 0.0 0.0
     -0.114325460000      0.030288587000 0.0 0.0 0.0 0.0
      0.369932520000     -0.098808890000 0.0 0.0 0.0 0.0
     -0.884262620000      0.243530010000 0.0 0.0 0.0 0.0
      0.245191920000     -0.075206590000 0.0 0.0 0.0 0.0
      1.151372900000     -0.344267450000 0.0 0.0 0.0 0.0
     -0.937890290000      0.392011860000 1.0 0.0 0.0 0.0
     -0.446717650000      0.342282000000 0.0 1.0 0.0 0.0
     -0.007544331300     -0.565764640000 0.0 0.0 1.0 0.0
      0.000244174960     -0.639440010000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10146.433930000
      1903.216467000
       530.002361300
        72.315562630
        13.995247450
         4.129360256
         2.674912503
         0.627509887
         0.286207355
         0.119058067
      0.002330691100 0.0 0.0 0.0 0.0
      0.012173400000 0.0 0.0 0.0 0.0
      0.033466505000 0.0 0.0 0.0 0.0
     -0.132211110000 0.0 0.0 0.0 0.0
      0.335690540000 0.0 0.0 0.0 0.0
     -0.205703550000 0.0 0.0 0.0 0.0
     -0.445531680000 1.0 0.0 0.0 0.0
      0.590179070000 0.0 1.0 0.0 0.0
      0.489167690000 0.0 0.0 1.0 0.0
      0.091694427000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1105.051925000
       311.883345900
       113.143364800
        21.045435590
        10.438138550
         4.778957658
         2.372384199
         0.510538815
         0.207505987
         0.075559496
         0.025772751
      0.001688726000 0.0 0.0 0.0 0.0
      0.009838495600 0.0 0.0 0.0 0.0
      0.022745281000 0.0 0.0 0.0 0.0
     -0.055460373000 0.0 0.0 0.0 0.0
     -0.037365292000 0.0 0.0 0.0 0.0
      0.077855712000 0.0 0.0 0.0 0.0
      0.122590280000 0.0 0.0 0.0 0.0
     -0.180537880000 1.0 0.0 0.0 0.0
     -0.342289370000 0.0 1.0 0.0 0.0
     -0.448485700000 0.0 0.0 1.0 0.0
     -0.319339120000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       319.302647100
       107.257104100
        43.522470940
        18.881335780
         4.083544231
         1.942096778
         0.894450601
         0.382581748
         0.143450911
     -0.005415313800 0.0 0.0 0.0
     -0.034678539000 0.0 0.0 0.0
     -0.102119500000 0.0 0.0 0.0
     -0.135147050000 0.0 0.0 0.0
      0.248770330000 0.0 0.0 0.0
      0.390253460000 0.0 0.0 0.0
      0.355578180000 1.0 0.0 0.0
      0.219025640000 0.0 1.0 0.0
      0.075095048000 0.0 0.0 1.0
*
* Core AIMP:Am DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    682674.890000000
    170070.581000000
     58935.885300000
     22082.739700000
      8705.970760000
      3487.916990000
      1458.068030000
       682.792461000
       259.849445000
       129.782519000
         2.826724200
        26.486554100
        17.027915200
         5.192836790
         1.409062840
      0.052271575454
      0.039585832128
      0.059631701520
      0.084913731176
      0.109762827245
      0.144490833481
      0.247988758641
      0.310109710615
      0.256476835770
      0.808150329808
      0.311960407988
      1.174757504213
      0.306941157034
      0.655892145024
      0.025301944021
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    9264.539400    1766.495980     456.983140     121.986074      28.437432
 3288375600000.000000000
  309120950000.000000000
   48248284000.000000000
    9936340600.000000000
    2475550800.000000000
     720428000.000000000
     241118400.000000000
      86600941.000000000
      30894257.000000000
      10761587.000000000
       3730108.800000000
       1313692.600000000
        479941.380000000
        184569.620000000
         75297.126000000
         32749.037000000
         15115.773000000
          7260.953800000
          3576.787300000
          1802.953000000
           923.849020000
           472.462130000
           242.447830000
           123.827180000
            70.392487000
            39.240752000
            21.290263000
            12.030573000
             6.720994300
             3.315526600
             1.558846700
             0.760207200
             0.321666330
             0.077939546
             0.030142432
    0.000002400000   -0.000001000000    0.000000500000    0.000000300000   -0.000000100000
    0.000009399999   -0.000004000000    0.000002000000    0.000001000000   -0.000000500000
    0.000026799998   -0.000011499999    0.000005600000    0.000002900000   -0.000001500000
    0.000065399996   -0.000027899998    0.000013700000    0.000007200000   -0.000003600000
    0.000141999992   -0.000060399996    0.000029700000    0.000015500001   -0.000007800000
    0.000275699984   -0.000117099993    0.000057400000    0.000030000001   -0.000015100000
    0.000494899971   -0.000209899987    0.000102900000    0.000053800002   -0.000027100000
    0.000917899946   -0.000388799977    0.000190600001    0.000099600003   -0.000050099999
    0.001786799894   -0.000756399954    0.000370800001    0.000193800006   -0.000097499999
    0.003484799794   -0.001475499911    0.000723300003    0.000378000012   -0.000190299998
    0.006665199606   -0.002826399830    0.001386000005    0.000724500023   -0.000364599995
    0.012368999269   -0.005264999682    0.002583600009    0.001350700044   -0.000679799991
    0.022054898696   -0.009456499430    0.004646500017    0.002430000079   -0.001223199984
    0.037752797767   -0.016387599012    0.008069500029    0.004222300137   -0.002125499973
    0.061853696342   -0.027381498348    0.013531300049    0.007087300229   -0.003569399954
    0.096407894299   -0.043958797349    0.021836800079    0.011450500371   -0.005766799925
    0.143980391485   -0.068610595862    0.034368300124    0.018066400585   -0.009110899882
    0.204724387893   -0.104009993726    0.052718600191    0.027779800899   -0.014001999819
    0.255480384891   -0.141764691449    0.073168200265    0.038781901255   -0.019622299746
    0.242409385664   -0.141207691483    0.073284300265    0.038787101256   -0.019519299748
    0.137496891869   -0.014776799109   -0.004701100017   -0.004281200139    0.002264199971
    0.028783298298    0.310928081246   -0.259324400938   -0.155909505047    0.081932898941
    0.000510899970    0.532367367889   -0.553387902001   -0.352804711421    0.186838797585
    0.000208599988    0.263815984087   -0.241519800873   -0.161952905243    0.091214898821
   -0.000161399990    0.012510699245    0.615303702225    0.665396121541   -0.419666094575
    0.000053299997    0.010540499364    0.644986202332    0.916816129680   -0.595660392300
   -0.000026799998   -0.005991999639    0.158834600574   -0.231132407482    0.206778097327
    0.000020599999    0.003588399784   -0.002780000010   -0.988636832005    1.292853883287
   -0.000008300000   -0.001862899888    0.004310300016   -0.333682010802    0.306569096037
    0.000002600000    0.000799799952   -0.001796800006   -0.018672200604   -1.215652384285
   -0.000001500000   -0.000368899978    0.000701700003    0.001290400042   -0.435826094366
    0.000000600000    0.000163399990   -0.000312100001   -0.000662700021    0.017636899772
   -0.000000200000   -0.000048399997    0.000096300000    0.000241700008   -0.007982499897
    0.000000000000    0.000012299999   -0.000023800000   -0.000054100002    0.001816799977
    0.000000000000   -0.000004700000    0.000009000000    0.000020800001   -0.000688599991
   26    4
    1461.026260     371.653520      93.658182      19.332227
 502976140.000000000
  70692481.000000000
  14267308.000000000
   3527264.400000000
   1007384.500000000
    322182.070000000
    113088.930000000
     42967.250000000
     17523.619000000
      7589.673000000
      3460.996300000
      1653.619500000
       824.093540000
       426.292660000
       227.273550000
       123.671640000
        68.566837000
        38.277212000
        21.156597000
        11.736302000
         6.362831900
         3.472374000
         1.807719400
         0.816299680
         0.370812380
         0.151318230
    0.000007500000   -0.000004000000   -0.000002100000   -0.000001000000
    0.000023800001   -0.000012700000   -0.000006700000   -0.000003200000
    0.000065000004   -0.000034600000   -0.000018200000   -0.000008900000
    0.000162300009   -0.000086399999   -0.000045499999   -0.000022200000
    0.000384900022   -0.000205399998   -0.000108199997   -0.000052700000
    0.000889000051   -0.000475799996   -0.000250699994   -0.000122200000
    0.002043300118   -0.001098199992   -0.000579299986   -0.000282400000
    0.004715700272   -0.002548599981   -0.001346199968   -0.000656399999
    0.010979700634   -0.005983499955   -0.003167299925   -0.001545399998
    0.025767001488   -0.014208299892   -0.007543099822   -0.003682599996
    0.059475103435   -0.033422399747   -0.017830799578   -0.008718399991
    0.127677207375   -0.073788599441   -0.039654799062   -0.019421299980
    0.234125313524   -0.140626198935   -0.076366298194   -0.037519999962
    0.324865318765   -0.200457598482   -0.109695097406   -0.053968799945
    0.284198416416   -0.132309998998   -0.062932798512   -0.029675999970
    0.122335707067    0.170327598710    0.152637596390    0.084405299914
    0.016744200967    0.490617296285    0.435355489705    0.242934699751
    0.000897500052    0.381047597115    0.266942593687    0.132155299865
   -0.000391500023    0.096350599270   -0.383811290924   -0.319009299673
    0.000137400008    0.004648899965   -0.642549284805   -0.605482999380
   -0.000110900006    0.000577299996   -0.227689894616    0.038187799961
    0.000071500004   -0.000364599997   -0.013592599679    0.712678899270
   -0.000026400002    0.000060000000   -0.002138399949    0.439887399550
    0.000011200001   -0.000033400000    0.000578899986    0.052001099947
   -0.000004400000    0.000012900000   -0.000197199995   -0.001285799999
    0.000001100000   -0.000003400000    0.000046199999    0.000423300000
   18    3
     295.925740      64.629046       9.318046
     41531.818000000
     10332.260000000
      3544.166400000
      1441.998000000
       654.254820000
       320.416380000
       166.128600000
        89.652315000
        49.936783000
        28.272173000
        15.963992000
         9.124925200
         5.253332600
         3.015025900
         2.107663800
         1.499358100
         0.807228200
         0.362478880
    0.000100300005   -0.000056900004   -0.000025699998
    0.000636500029   -0.000362300025   -0.000163499989
    0.003203400147   -0.001830900124   -0.000826599945
    0.013561200623   -0.007809000529   -0.003533999765
    0.047071102163   -0.027409101856   -0.012429099172
    0.128514005906   -0.076240505162   -0.034750697686
    0.257431311831   -0.153177210371   -0.069796295352
    0.351052016133   -0.197239113354   -0.088667894096
    0.280291312881   -0.069979904738   -0.016886498876
    0.115184905294    0.232569915746    0.148224490130
    0.019399000892    0.451089230540    0.277694781508
    0.000716300033    0.332523022513    0.137958990813
    0.000273400013    0.103993607041   -0.242014283884
   -0.000272400013    0.012835400869   -0.425851571643
    0.000220000010   -0.000366900025   -0.139481290712
   -0.000110500005    0.000636400043   -0.277461981524
    0.000012800001   -0.000075100005   -0.102378093183
   -0.000003700000    0.000008100001   -0.010308199314
   13    1
      35.030708
      2124.333800000
       715.338520000
       304.861780000
       146.860240000
        75.161491000
        39.830148000
        21.202929000
        11.216841000
         5.791973800
         2.828218700
         1.306066300
         0.548743120
         0.197931590
   -0.000221399995
   -0.001978399958
   -0.011154899764
   -0.043199399087
   -0.121607797429
   -0.248558894744
   -0.352955892537
   -0.322534793180
   -0.153805596748
   -0.026141299447
   -0.000422799991
   -0.000158499997
    0.000038999999
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Am.AE.Paulovic.35s26p18d13f.7s5p4d2f.95e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.31872029D+13 0.31095827D+12 0.48643460D+11 0.99782793D+10 0.24794219D+10 0.72381293D+09
 0.24111840D+09 0.86567119D+08 0.30894257D+08 0.10757384D+08 0.37270074D+07 0.13137247D+07
 0.47993552D+06 0.18464173D+06 0.75339853D+05 0.32753094D+05 0.15113030D+05 0.72622955D+04
 0.35769299D+04 0.18020306D+04 0.92616352D+03 0.47172206D+03 0.24267743D+03 0.12349052D+03
 0.70836923D+02 0.39250333D+02 0.22119772D+02 0.12139191D+02 0.68458146D+01 0.32559215D+01
 0.15586248D+01 0.75586563D+00 0.31817345D+00 0.59282337D-01 0.24466773D-01
 0.0000024 -0.0000010  0.0000005  0.0000003 -0.0000001  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000093 -0.0000040  0.0000020  0.0000010 -0.0000005  0.0000002 -0.0000001 0.0 0.0 0.0 0.0
 0.0000267 -0.0000114  0.0000056  0.0000029 -0.0000015  0.0000006 -0.0000002 0.0 0.0 0.0 0.0
 0.0000655 -0.0000279  0.0000137  0.0000072 -0.0000036  0.0000016 -0.0000004 0.0 0.0 0.0 0.0
 0.0001416 -0.0000603  0.0000296  0.0000155 -0.0000078  0.0000034 -0.0000009 0.0 0.0 0.0 0.0
 0.0002750 -0.0001168  0.0000573  0.0000299 -0.0000151  0.0000066 -0.0000017 0.0 0.0 0.0 0.0
 0.0004969 -0.0002107  0.0001033  0.0000540 -0.0000272  0.0000119 -0.0000031 0.0 0.0 0.0 0.0
 0.0009169 -0.0003884  0.0001904  0.0000995 -0.0000501  0.0000219 -0.0000058 0.0 0.0 0.0 0.0
 0.0017870 -0.0007565  0.0003708  0.0001938 -0.0000975  0.0000427 -0.0000113 0.0 0.0 0.0 0.0
 0.0034884 -0.0014770  0.0007240  0.0003784 -0.0001904  0.0000834 -0.0000220 0.0 0.0 0.0 0.0
 0.0066655 -0.0028265  0.0013860  0.0007245 -0.0003646  0.0001598 -0.0000422 0.0 0.0 0.0 0.0
 0.0123629 -0.0052625  0.0025823  0.0013500 -0.0006794  0.0002977 -0.0000786 0.0 0.0 0.0 0.0
 0.0220560 -0.0094567  0.0046466  0.0024300 -0.0012232  0.0005360 -0.0001415 0.0 0.0 0.0 0.0
 0.0377199 -0.0163741  0.0080627  0.0042188 -0.0021235  0.0009305 -0.0002458 0.0 0.0 0.0 0.0
 0.0618505 -0.0273769  0.0135293  0.0070858 -0.0035688  0.0015641 -0.0004129 0.0 0.0 0.0 0.0
 0.0964586 -0.0439899  0.0218511  0.0114590 -0.0057695  0.0025284 -0.0006682 0.0 0.0 0.0 0.0
 0.1439964 -0.0685959  0.0343638  0.0180609 -0.0091110  0.0039946 -0.0010537 0.0 0.0 0.0 0.0
 0.2045609 -0.1039872  0.0526993  0.0277774 -0.0139906  0.0061317 -0.0016226 0.0 0.0 0.0 0.0
 0.2558287 -0.1417903  0.0731976  0.0387767 -0.0196415  0.0086208 -0.0022699 0.0 0.0 0.0 0.0
 0.2420287 -0.1414536  0.0733896  0.0388936 -0.0195166  0.0085444 -0.0022720 0.0 0.0 0.0 0.0
 0.1372170 -0.0138794 -0.0050902 -0.0045979  0.0023013 -0.0010038  0.0002968 0.0 0.0 0.0 0.0
 0.0295555  0.3103155 -0.2595534 -0.1558592  0.0821889 -0.0364421  0.0095768 0.0 0.0 0.0 0.0
-0.0000514  0.5318129 -0.5510369 -0.3517321  0.1855879 -0.0822696  0.0218995 0.0 0.0 0.0 0.0
 0.0006919  0.2663454 -0.2503114 -0.1671207  0.0959633 -0.0435116  0.0112111 0.0 0.0 0.0 0.0
-0.0005955  0.0090809  0.6205095  0.6620999 -0.4209505  0.1955106 -0.0513841 0.0 0.0 0.0 0.0
 0.0003816  0.0131429  0.6415388  0.9334736 -0.5997730  0.2795107 -0.0758023 0.0 0.0 0.0 0.0
-0.0002568 -0.0075383  0.1560125 -0.2240903  0.1821761 -0.0860140  0.0251839 0.0 0.0 0.0 0.0
 0.0001628  0.0042117  0.0083181 -0.9892441  1.3145441 -0.7501063  0.2025212 0.0 0.0 0.0 0.0
-0.0000825 -0.0021834  0.0000803 -0.3463939  0.2867927 -0.1285746  0.0389599 0.0 0.0 0.0 0.0
 0.0000334  0.0009091 -0.0001594 -0.0227730 -1.2098826  1.1168146 -0.3384328 0.0 0.0 0.0 0.0
-0.0000167 -0.0004400 -0.0000459  0.0030719 -0.4102921  0.4818805 -0.1430112 0.0 0.0 0.0 0.0
 0.0000071  0.0001868  0.0000165 -0.0013014  0.0082445 -0.9447291  0.3554112 1.0 0.0 0.0 0.0
-0.0000019 -0.0000506  0.0000005  0.0003878 -0.0049499 -0.6171052  0.4189599 0.0 1.0 0.0 0.0
 0.0000004  0.0000114  0.0000008 -0.0000785  0.0009393 -0.0150721 -0.6941820 0.0 0.0 1.0 0.0
-0.0000002 -0.0000052  0.0000003  0.0000361 -0.0004118  0.0033984 -0.5003365 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50149133D+09 0.70692481D+08 0.14336663D+08 0.35481693D+07 0.10127988D+07 0.32304355D+06
 0.11321368D+06 0.43000916D+05 0.17522483D+05 0.75856819D+04 0.34613390D+04 0.16539374D+04
 0.82408287D+03 0.42642862D+03 0.22731589D+03 0.12359751D+03 0.68591433D+02 0.38312173D+02
 0.21084716D+02 0.11748421D+02 0.64303410D+01 0.34573405D+01 0.17902443D+01 0.81625414D+00
 0.36429423D+00 0.15139883D+00
 0.0000075 -0.0000040 -0.0000021 -0.0000010  0.0000004 0.0 0.0 0.0 0.0
 0.0000237 -0.0000126 -0.0000066 -0.0000032  0.0000012 0.0 0.0 0.0 0.0
 0.0000646 -0.0000344 -0.0000181 -0.0000088  0.0000034 0.0 0.0 0.0 0.0
 0.0001615 -0.0000860 -0.0000453 -0.0000221  0.0000085 0.0 0.0 0.0 0.0
 0.0003839 -0.0002049 -0.0001079 -0.0000526  0.0000203 0.0 0.0 0.0 0.0
 0.0008892 -0.0004759 -0.0002508 -0.0001222  0.0000472 0.0 0.0 0.0 0.0
 0.0020424 -0.0010977 -0.0005790 -0.0002823  0.0001090 0.0 0.0 0.0 0.0
 0.0047145 -0.0025480 -0.0013459 -0.0006563  0.0002535 0.0 0.0 0.0 0.0
 0.0109932 -0.0059907 -0.0031709 -0.0015472  0.0005978 0.0 0.0 0.0 0.0
 0.0257740 -0.0142127 -0.0075462 -0.0036850  0.0014233 0.0 0.0 0.0 0.0
 0.0594224 -0.0333915 -0.0178124 -0.0087090  0.0033671 0.0 0.0 0.0 0.0
 0.1277077 -0.0738093 -0.0396720 -0.0194366  0.0075108 0.0 0.0 0.0 0.0
 0.2340883 -0.1405925 -0.0763319 -0.0374954  0.0145174 0.0 0.0 0.0 0.0
 0.3246834 -0.2003806 -0.1096995 -0.0540112  0.0208746 0.0 0.0 0.0 0.0
 0.2845135 -0.1323881 -0.0628523 -0.0295545  0.0113947 0.0 0.0 0.0 0.0
 0.1223073  0.1704876  0.1525170  0.0841652 -0.0335809 0.0 0.0 0.0 0.0
 0.0166544  0.4895766  0.4350939  0.2432462 -0.0964099 0.0 0.0 0.0 0.0
 0.0009344  0.3819949  0.2660650  0.1307056 -0.0512328 0.0 0.0 0.0 0.0
-0.0004077  0.0967272 -0.3847333 -0.3184770  0.1393238 0.0 0.0 0.0 0.0
 0.0001488  0.0039679 -0.6362270 -0.6037758  0.2686521 0.0 0.0 0.0 0.0
-0.0001147  0.0008695 -0.2301242  0.0369065 -0.0505369 0.0 0.0 0.0 0.0
 0.0000714 -0.0004943 -0.0159793  0.7220332 -0.4666671 0.0 0.0 0.0 0.0
-0.0000267  0.0001182 -0.0014063  0.4329592 -0.2541808 1.0 0.0 0.0 0.0
 0.0000115 -0.0000562  0.0003513  0.0491523  0.4575089 0.0 1.0 0.0 0.0
-0.0000045  0.0000218 -0.0001095 -0.0005397  0.6202578 0.0 0.0 1.0 0.0
 0.0000012 -0.0000057  0.0000292  0.0003554  0.1758632 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.41079519D+05 0.10260596D+05 0.35309871D+04 0.14466307D+04 0.66302207D+03 0.32841006D+03
 0.17227921D+03 0.93434280D+02 0.51532692D+02 0.28296834D+02 0.15298245D+02 0.82120529D+01
 0.42342441D+01 0.21169098D+01 0.98533365D+00 0.34271014D+00 0.10814487D+00 0.31614484D-01
 0.0001017  0.0000577  0.0000260 -0.0000044 0.0 0.0 0.0 0.0
 0.0006423  0.0003656  0.0001652 -0.0000281 0.0 0.0 0.0 0.0
 0.0032091  0.0018339  0.0008274 -0.0001395 0.0 0.0 0.0 0.0
 0.0133384  0.0076821  0.0034821 -0.0005928 0.0 0.0 0.0 0.0
 0.0453895  0.0264166  0.0119668 -0.0020179 0.0 0.0 0.0 0.0
 0.1219845  0.0723484  0.0330371 -0.0056371 0.0 0.0 0.0 0.0
 0.2449589  0.1457805  0.0663116 -0.0111539 0.0 0.0 0.0 0.0
 0.3483663  0.1978702  0.0896182 -0.0154009 0.0 0.0 0.0 0.0
 0.2977800  0.0851081  0.0238901 -0.0031923 0.0 0.0 0.0 0.0
 0.1236920 -0.2470599 -0.1565204  0.0268463 0.0 0.0 0.0 0.0
 0.0171947 -0.4957233 -0.3072384  0.0560890 0.0 0.0 0.0 0.0
 0.0006973 -0.3266487 -0.0782742  0.0062845 0.0 0.0 0.0 0.0
-0.0000585 -0.0655477  0.4338948 -0.0890191 0.0 0.0 0.0 0.0
 0.0000012 -0.0013134  0.5260522 -0.1212363 0.0 0.0 0.0 0.0
-0.0000173 -0.0003410  0.1995458  0.0555291 1.0 0.0 0.0 0.0
 0.0000019  0.0000939  0.0145819  0.3147701 0.0 1.0 0.0 0.0
-0.0000012 -0.0000313 -0.0009211  0.4982079 0.0 0.0 1.0 0.0
 0.0000004  0.0000096  0.0003124  0.4306762 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21398945D+04 0.71781686D+03 0.30548798D+03 0.14694941D+03 0.75131041D+02 0.39785503D+02
 0.21174203D+02 0.11207384D+02 0.57822214D+01 0.28024603D+01 0.12756425D+01 0.51532166D+00
 0.17416542D+00
-0.0002187 -0.0000717 0.0 0.0 0.0
-0.0019666 -0.0006458 0.0 0.0 0.0
-0.0111256 -0.0036657 0.0 0.0 0.0
-0.0432320 -0.0142723 0.0 0.0 0.0
-0.1218288 -0.0404174 0.0 0.0 0.0
-0.2490411 -0.0810995 0.0 0.0 0.0
-0.3529252 -0.1053432 0.0 0.0 0.0
-0.3221643 -0.0589772 0.0 0.0 0.0
-0.1539627  0.1258937 0.0 0.0 0.0
-0.0258130  0.3452814 0.0 0.0 0.0
-0.0002929  0.4198552 1.0 0.0 0.0
-0.0001642  0.3090159 0.0 1.0 0.0
 0.0000426  0.1160160 0.0 0.0 1.0
*
End

*
/Cm.ECP.Paulovic.14s10p11d9f.2s1p1d1f.18e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on CmQR(9D)
*
 18.000000         3

* S-type functions
   14    6
  18108850.079999998
   1336142.267000000
    156705.400100000
     24190.725870000
      4364.552426000
       305.537257500
        51.511399750
        12.376571230
         3.551915890
         2.495896278
         0.651188217
         0.288375337
         0.075282475
         0.028675891
      0.000160338690     -0.000045448337 0.0 0.0 0.0 0.0
      0.000691041770     -0.000195880300 0.0 0.0 0.0 0.0
      0.002292366300     -0.000649771270 0.0 0.0 0.0 0.0
      0.007188870200     -0.002037909500 0.0 0.0 0.0 0.0
      0.018445984000     -0.005228544400 0.0 0.0 0.0 0.0
     -0.116331300000      0.033038874000 0.0 0.0 0.0 0.0
      0.383800300000     -0.109944550000 0.0 0.0 0.0 0.0
     -0.870291590000      0.256797530000 0.0 0.0 0.0 0.0
      0.668582760000     -0.218455470000 0.0 0.0 0.0 0.0
      0.723320170000     -0.237197600000 0.0 0.0 0.0 0.0
     -1.013208000000      0.491196440000 1.0 0.0 0.0 0.0
     -0.389956650000      0.316418510000 0.0 1.0 0.0 0.0
     -0.001903196200     -0.705566020000 0.0 0.0 1.0 0.0
     -0.000704858220     -0.536023630000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10958.502620000
      2030.590867000
       554.092222100
        74.031712440
        14.569992980
         3.927259432
         2.670279932
         0.670647648
         0.312437298
         0.133140127
      0.002323536600 0.0 0.0 0.0 0.0
      0.012281507000 0.0 0.0 0.0 0.0
      0.034860394000 0.0 0.0 0.0 0.0
     -0.137465240000 0.0 0.0 0.0 0.0
      0.345251570000 0.0 0.0 0.0 0.0
     -0.303018660000 0.0 0.0 0.0 0.0
     -0.369129010000 1.0 0.0 0.0 0.0
      0.606365920000 0.0 1.0 0.0 0.0
      0.477524190000 0.0 0.0 1.0 0.0
      0.092778064000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1139.217984000
       321.597187500
       116.704081500
        21.703254700
        10.838050090
         5.060242885
         2.558908985
         0.561538862
         0.243944884
         0.103523002
         0.043190583
      0.002537075700 0.0 0.0 0.0 0.0
      0.014747761000 0.0 0.0 0.0 0.0
      0.034317578000 0.0 0.0 0.0 0.0
     -0.083840265000 0.0 0.0 0.0 0.0
     -0.056441142000 0.0 0.0 0.0 0.0
      0.113196150000 0.0 0.0 0.0 0.0
      0.187916930000 0.0 0.0 0.0 0.0
     -0.290847290000 1.0 0.0 0.0 0.0
     -0.439762570000 0.0 1.0 0.0 0.0
     -0.350691860000 0.0 0.0 1.0 0.0
     -0.136363640000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       334.672135900
       112.201128100
        45.545316280
        19.777907300
         4.273465101
         2.045090355
         0.965882888
         0.433340273
         0.172666568
     -0.005564758400 0.0 0.0 0.0
     -0.036033876000 0.0 0.0 0.0
     -0.107362570000 0.0 0.0 0.0
     -0.143999890000 0.0 0.0 0.0
      0.266568630000 0.0 0.0 0.0
      0.401604020000 0.0 0.0 0.0
      0.342994410000 1.0 0.0 0.0
      0.192170050000 0.0 1.0 0.0
      0.053195239000 0.0 0.0 1.0
*
* Core AIMP:Cm DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    694403.020000000
    174160.631000000
     60630.016300000
     22865.801400000
      9054.592020000
      3632.394720000
      1516.373930000
       708.364145000
       270.279044000
       134.036643000
         5.388816300
        27.247225800
        17.577561200
         2.957229190
         1.499716790
      0.049818061349
      0.037486967185
      0.056159060635
      0.079497838392
      0.102982481551
      0.135917756282
      0.233136921204
      0.294138282600
      0.240188521947
      0.767189825835
      0.626278042292
      1.128673151887
      0.268984201833
      0.289987573083
      0.022894647257
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    9508.357400    1820.483120     472.681520     127.137856      30.087728
 3288375600000.000000000
  309000220000.000000000
   48248284000.000000000
    9936340600.000000000
    2475550800.000000000
     720428000.000000000
     241120930.000000000
      86600941.000000000
      30893502.000000000
      10774206.000000000
       3731439.400000000
       1313693.700000000
        479871.080000000
        184487.440000000
         75267.719000000
         32749.037000000
         15119.203000000
          7260.953800000
          3578.595900000
          1802.909000000
           922.970270000
           472.832840000
           242.406190000
           121.383580000
            70.366173000
            39.279946000
            21.294595000
            12.029613000
             6.671785200
             3.319806600
             1.536578400
             0.760444840
             0.321546220
             0.078529814
             0.030609801
    0.000002600000   -0.000001200000    0.000000600000    0.000000300000   -0.000000200000
    0.000010300000   -0.000004499999    0.000002200000    0.000001100000   -0.000000600000
    0.000029199999   -0.000012599999    0.000006200000    0.000003200000   -0.000001600000
    0.000070799999   -0.000030399997    0.000014900001    0.000007800000   -0.000004000000
    0.000152999997   -0.000065499993    0.000032200002    0.000016900000   -0.000008499999
    0.000295699994   -0.000126399986    0.000062000003    0.000032500000   -0.000016499999
    0.000528599990   -0.000225499975    0.000110700006    0.000058000000   -0.000029399998
    0.000978099981   -0.000416799953    0.000204600011    0.000107200000   -0.000054199996
    0.001893699964   -0.000806399909    0.000395800021    0.000207300001   -0.000104999991
    0.003681099929   -0.001567699823    0.000769400041    0.000403100001   -0.000203999983
    0.007023799865   -0.002995899662    0.001470900077    0.000770600003   -0.000390099968
    0.012973699750   -0.005554999374    0.002729200144    0.001430000005   -0.000723999941
    0.023045999556   -0.009940398880    0.004890300257    0.002563300009   -0.001297899894
    0.039273999243   -0.017152698068    0.008456800445    0.004435000016   -0.002245799816
    0.064002698767   -0.028511996788    0.014108800743    0.007406500026   -0.003752199692
    0.099147098090   -0.045510794873    0.022638701192    0.011898700042   -0.006028099506
    0.147214297164   -0.070629592043    0.035433601866    0.018669300066   -0.009470299223
    0.207484396003   -0.106164388039    0.053890502837    0.028466400101   -0.014434198816
    0.255753595073   -0.142554283939    0.073670803879    0.039132700139   -0.019915098367
    0.238950195397   -0.137934284460    0.071338203756    0.037803800134   -0.019132198431
    0.131258197471   -0.001805999797   -0.013502700711   -0.009347700033    0.004917799597
    0.026064399498    0.326282563240   -0.274880414472   -0.166021800588    0.087797392800
    0.000493499990    0.533452739900   -0.559406129452   -0.358842201271    0.191543784292
    0.000115099998    0.250753371750   -0.205145610801   -0.133847400474    0.075869793778
   -0.000092499998   -0.001795899798    0.653549334408    0.716111002536   -0.456071262599
    0.000007700000    0.015056898304    0.614471532351    0.882647203125   -0.579019052517
    0.000005400000   -0.008798299009    0.144926407630   -0.306664101086    0.277401877251
   -0.000000700000    0.005338199399   -0.005500700290   -0.984622303486    1.337841890289
    0.000002500000   -0.002750399690    0.005070900267   -0.290670101029    0.175047085645
   -0.000002000000    0.001188899866   -0.002202600116   -0.014125700050   -1.238962198398
    0.000000700000   -0.000551099938    0.000907600048    0.000957900003   -0.376491869125
   -0.000000300000    0.000251799972   -0.000415400022   -0.000550200002    0.022320998170
    0.000000100000   -0.000073599992    0.000125600007    0.000214100001   -0.007734199366
    0.000000000000    0.000018899998   -0.000031700002   -0.000049500000    0.001764199855
    0.000000000000   -0.000007199999    0.000012100001    0.000019200000   -0.000665999945
   26    4
    1499.864540     383.376820      97.513682      20.524038
 498021350.000000000
  70064692.000000000
  14129150.000000000
   3488967.600000000
    998442.510000000
    320583.320000000
    112744.500000000
     42932.942000000
     17533.621000000
      7594.643000000
      3461.177000000
      1652.893700000
       823.661610000
       426.259300000
       227.278650000
       123.551570000
        68.687559000
        38.408307000
        21.107741000
        11.795068000
         6.450913800
         3.490404600
         1.819260900
         0.825821360
         0.378672810
         0.154824240
    0.000008000000   -0.000004300000   -0.000002300000   -0.000001100000
    0.000025400001   -0.000013500000   -0.000007100000   -0.000003500000
    0.000069400004   -0.000037000000   -0.000019499999   -0.000009600000
    0.000173100010   -0.000092400000   -0.000048799998   -0.000023899999
    0.000408000024   -0.000218200000   -0.000115199995   -0.000056599998
    0.000938500055   -0.000503300000   -0.000265999989   -0.000130599996
    0.002150800127   -0.001158500000   -0.000612999975   -0.000300999990
    0.004939800291   -0.002675899999   -0.001417899941   -0.000696399978
    0.011469200675   -0.006265499998   -0.003326899862   -0.001635199948
    0.026850101581   -0.014845499996   -0.007907199672   -0.003888799877
    0.061754203636   -0.034806299991   -0.018628799228   -0.009175799710
    0.131724407756   -0.076379499979   -0.041191598294   -0.020324899357
    0.239069214076   -0.144058099961   -0.078489096749   -0.038850098770
    0.326432419220   -0.201420399946   -0.110510595422   -0.054762998267
    0.279124016435   -0.123876999967   -0.057168097632   -0.026834099151
    0.115628206808    0.188235499949    0.167104193078    0.093055397055
    0.014600600860    0.494241999867    0.442325381676    0.249088392116
    0.000953000056    0.368656099901    0.242790089942    0.117027196296
   -0.000476300028    0.088835099976   -0.414260882839   -0.348073488983
    0.000196800012    0.002855999999   -0.625951474069   -0.601641080957
   -0.000139700008    0.000945800000   -0.211625691233    0.087204897240
    0.000086100005   -0.000556300000   -0.012869099467    0.727805676964
   -0.000033600002    0.000149900000   -0.001491799938    0.407293387109
    0.000014100001   -0.000066700000    0.000410099983    0.043332598628
   -0.000005600000    0.000026500000   -0.000131799995   -0.001085099966
    0.000001400000   -0.000006700000    0.000029999999    0.000270699991
   18    3
     305.315040      67.585792      10.122253
     43051.866000000
     10766.689000000
      3659.711100000
      1466.732500000
       654.241460000
       315.544990000
       162.829890000
        88.976912000
        51.136259000
        30.202949000
        17.197860000
         9.540076400
         5.062063600
         2.603979100
         1.258245300
         0.512405830
         0.196390930
         0.066365289
    0.000100200005    0.000057100005    0.000026099999
    0.000630500032    0.000360300029    0.000164599996
    0.003238600167    0.001860700152    0.000850299981
    0.014086600725    0.008146200664    0.003732699915
    0.050307702588    0.029467702400    0.013527699690
    0.138267407113    0.082428206714    0.038053599129
    0.266841713727    0.159527412994    0.073539698316
    0.340563417520    0.189880115467    0.086259398025
    0.259882413369    0.065127605305    0.015053399655
    0.117940606067   -0.202589016502   -0.131392796991
    0.024623201267   -0.454523037023   -0.287250493423
    0.000556600029   -0.370191730154   -0.153052696495
    0.000331700017   -0.101039408230    0.334713992336
   -0.000177700009   -0.004529400369    0.553359287329
    0.000047500002   -0.000579900047    0.276336793673
   -0.000022300001    0.000189600015    0.032645599252
    0.000006600000   -0.000064000005   -0.001298999970
   -0.000002600000    0.000020600002    0.000336699992
   13    1
      37.294910
      2117.822700000
       713.441830000
       304.398010000
       146.830600000
        75.193249000
        39.851864000
        21.221476000
        11.236685000
         5.797929500
         2.825093200
         1.314470500
         0.571175330
         0.218837970
   -0.000240300016
   -0.002134800142
   -0.011932700793
   -0.045675303036
   -0.127371208466
   -0.256185717028
   -0.356554823699
   -0.315674120982
   -0.142725209486
   -0.021880201454
   -0.000276300018
   -0.000128000009
    0.000030700002
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Cm.AE.Paulovic.35s26p18d13f.7s5p4d2f.96e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32883756D+13 0.30900022D+12 0.48248284D+11 0.99363406D+10 0.24755508D+10 0.72042800D+09
 0.24112093D+09 0.86600941D+08 0.30893502D+08 0.10774206D+08 0.37314394D+07 0.13136937D+07
 0.47987108D+06 0.18448744D+06 0.75267719D+05 0.32749037D+05 0.15119203D+05 0.72609538D+04
 0.35785959D+04 0.18029090D+04 0.92297027D+03 0.47283284D+03 0.24240619D+03 0.12138358D+03
 0.70366173D+02 0.39279946D+02 0.21294595D+02 0.12029613D+02 0.66717852D+01 0.33198066D+01
 0.15365784D+01 0.76044484D+00 0.32154622D+00 0.78529814D-01 0.30609801D-01
 0.0000026 -0.0000012  0.0000006  0.0000003 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000103 -0.0000045  0.0000022  0.0000011 -0.0000006  0.0000003 -0.0000001 0.0 0.0 0.0 0.0
 0.0000292 -0.0000126  0.0000062  0.0000032 -0.0000016  0.0000007 -0.0000002 0.0 0.0 0.0 0.0
 0.0000708 -0.0000304  0.0000149  0.0000078 -0.0000040  0.0000018 -0.0000005 0.0 0.0 0.0 0.0
 0.0001530 -0.0000655  0.0000322  0.0000169 -0.0000085  0.0000038 -0.0000011 0.0 0.0 0.0 0.0
 0.0002957 -0.0001264  0.0000620  0.0000325 -0.0000165  0.0000073 -0.0000021 0.0 0.0 0.0 0.0
 0.0005286 -0.0002255  0.0001107  0.0000580 -0.0000294  0.0000131 -0.0000037 0.0 0.0 0.0 0.0
 0.0009781 -0.0004168  0.0002046  0.0001072 -0.0000542  0.0000242 -0.0000069 0.0 0.0 0.0 0.0
 0.0018937 -0.0008064  0.0003958  0.0002073 -0.0001050  0.0000468 -0.0000133 0.0 0.0 0.0 0.0
 0.0036811 -0.0015677  0.0007694  0.0004031 -0.0002040  0.0000910 -0.0000258 0.0 0.0 0.0 0.0
 0.0070238 -0.0029959  0.0014709  0.0007706 -0.0003901  0.0001740 -0.0000493 0.0 0.0 0.0 0.0
 0.0129737 -0.0055550  0.0027292  0.0014300 -0.0007240  0.0003229 -0.0000915 0.0 0.0 0.0 0.0
 0.0230460 -0.0099404  0.0048903  0.0025633 -0.0012979  0.0005789 -0.0001640 0.0 0.0 0.0 0.0
 0.0392740 -0.0171527  0.0084568  0.0044350 -0.0022458  0.0010018 -0.0002839 0.0 0.0 0.0 0.0
 0.0640027 -0.0285120  0.0141088  0.0074065 -0.0037522  0.0016738 -0.0004742 0.0 0.0 0.0 0.0
 0.0991471 -0.0455108  0.0226387  0.0118987 -0.0060281  0.0026894 -0.0007622 0.0 0.0 0.0 0.0
 0.1472143 -0.0706296  0.0354336  0.0186693 -0.0094704  0.0042254 -0.0011971 0.0 0.0 0.0 0.0
 0.2074844 -0.1061644  0.0538906  0.0284664 -0.0144343  0.0064424 -0.0018263 0.0 0.0 0.0 0.0
 0.2557536 -0.1425544  0.0736708  0.0391328 -0.0199153  0.0088898 -0.0025185 0.0 0.0 0.0 0.0
 0.2389501 -0.1379343  0.0713383  0.0378039 -0.0191323  0.0085430 -0.0024221 0.0 0.0 0.0 0.0
 0.1312582 -0.0018061 -0.0135028 -0.0093478  0.0049178 -0.0022374  0.0006360 0.0 0.0 0.0 0.0
 0.0260644  0.3262826 -0.2748802 -0.1660220  0.0877982 -0.0395428  0.0112264 0.0 0.0 0.0 0.0
 0.0004935  0.5334523 -0.5594060 -0.3588430  0.1915453 -0.0867017  0.0246096 0.0 0.0 0.0 0.0
 0.0001152  0.2507535 -0.2051456 -0.1338474  0.0758707 -0.0344995  0.0098670 0.0 0.0 0.0 0.0
-0.0000926 -0.0017961  0.6535483  0.7161121 -0.4560755  0.2147089 -0.0615238 0.0 0.0 0.0 0.0
 0.0000078  0.0150575  0.6144698  0.8826465 -0.5790224  0.2779230 -0.0793813 0.0 0.0 0.0 0.0
 0.0000053 -0.0087984  0.1449273 -0.3066639  0.2774006 -0.1425231  0.0407315 0.0 0.0 0.0 0.0
-0.0000007  0.0053386 -0.0055000 -0.9846200  1.3378563 -0.7804547  0.2318530 0.0 0.0 0.0 0.0
 0.0000025 -0.0027505  0.0050720 -0.2906674  0.1750443 -0.0601537  0.0149665 0.0 0.0 0.0 0.0
-0.0000020  0.0011891 -0.0022027 -0.0141279 -1.2389708  1.1885437 -0.3814724 0.0 0.0 0.0 0.0
 0.0000007 -0.0005510  0.0009082  0.0009568 -0.3764868  0.4248493 -0.1533403 0.0 0.0 0.0 0.0
-0.0000003  0.0002519 -0.0004154 -0.0005528  0.0223189 -1.0477158  0.4726207 1.0 0.0 0.0 0.0
 0.0000001 -0.0000735  0.0001264  0.0002126 -0.0077259 -0.5282448  0.3987250 0.0 1.0 0.0 0.0
 0.0000000  0.0000189 -0.0000317 -0.0000491  0.0017648 -0.0043406 -0.6434796 0.0 0.0 1.0 0.0
 0.0000000 -0.0000071  0.0000117  0.0000202 -0.0006746 -0.0006992 -0.5927337 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.49802135D+09 0.70064692D+08 0.14129150D+08 0.34889676D+07 0.99844251D+06 0.32058332D+06
 0.11274450D+06 0.42932942D+05 0.17533621D+05 0.75946430D+04 0.34611770D+04 0.16528937D+04
 0.82366161D+03 0.42625930D+03 0.22727865D+03 0.12355157D+03 0.68687559D+02 0.38408307D+02
 0.21107741D+02 0.11795068D+02 0.64509138D+01 0.34904046D+01 0.18192609D+01 0.82582136D+00
 0.37867281D+00 0.15482424D+00
 0.0000080 -0.0000043 -0.0000023 -0.0000011  0.0000004 0.0 0.0 0.0 0.0
 0.0000254 -0.0000135 -0.0000071 -0.0000035  0.0000014 0.0 0.0 0.0 0.0
 0.0000694 -0.0000370 -0.0000195 -0.0000096  0.0000038 0.0 0.0 0.0 0.0
 0.0001731 -0.0000924 -0.0000488 -0.0000239  0.0000095 0.0 0.0 0.0 0.0
 0.0004080 -0.0002182 -0.0001152 -0.0000566  0.0000224 0.0 0.0 0.0 0.0
 0.0009385 -0.0005033 -0.0002660 -0.0001306  0.0000517 0.0 0.0 0.0 0.0
 0.0021508 -0.0011585 -0.0006130 -0.0003010  0.0001191 0.0 0.0 0.0 0.0
 0.0049398 -0.0026759 -0.0014179 -0.0006964  0.0002755 0.0 0.0 0.0 0.0
 0.0114692 -0.0062655 -0.0033269 -0.0016352  0.0006476 0.0 0.0 0.0 0.0
 0.0268501 -0.0148455 -0.0079072 -0.0038888  0.0015387 0.0 0.0 0.0 0.0
 0.0617542 -0.0348063 -0.0186288 -0.0091758  0.0036371 0.0 0.0 0.0 0.0
 0.1317244 -0.0763795 -0.0411916 -0.0203249  0.0080441 0.0 0.0 0.0 0.0
 0.2390692 -0.1440581 -0.0784891 -0.0388501  0.0154289 0.0 0.0 0.0 0.0
 0.3264325 -0.2014204 -0.1105106 -0.0547630  0.0216525 0.0 0.0 0.0 0.0
 0.2791240 -0.1238770 -0.0571681 -0.0268341  0.0106685 0.0 0.0 0.0 0.0
 0.1156282  0.1882355  0.1671042  0.0930554 -0.0382594 0.0 0.0 0.0 0.0
 0.0146006  0.4942420  0.4423255  0.2490884 -0.1008206 0.0 0.0 0.0 0.0
 0.0009530  0.3686561  0.2427901  0.1170272 -0.0475805 0.0 0.0 0.0 0.0
-0.0004763  0.0888351 -0.4142608 -0.3480735  0.1582362 0.0 0.0 0.0 0.0
 0.0001968  0.0028560 -0.6259515 -0.6016411  0.2724101 0.0 0.0 0.0 0.0
-0.0001397  0.0009458 -0.2116257  0.0872049 -0.0764932 0.0 0.0 0.0 0.0
 0.0000861 -0.0005563 -0.0128691  0.7278058 -0.4965655 0.0 0.0 0.0 0.0
-0.0000336  0.0001499 -0.0014918  0.4072933 -0.2223441 1.0 0.0 0.0 0.0
 0.0000141 -0.0000667  0.0004102  0.0433326  0.4977909 0.0 1.0 0.0 0.0
-0.0000056  0.0000265 -0.0001318 -0.0010851  0.6027914 0.0 0.0 1.0 0.0
 0.0000014 -0.0000067  0.0000300  0.0002707  0.1493245 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.43051866D+05 0.10766689D+05 0.36597111D+04 0.14667325D+04 0.65424146D+03 0.31554499D+03
 0.16282989D+03 0.88976912D+02 0.51136259D+02 0.30202949D+02 0.17197860D+02 0.95400764D+01
 0.50620636D+01 0.26039791D+01 0.12582453D+01 0.51240583D+00 0.19639093D+00 0.66365289D-01
 0.0001002  0.0000571  0.0000261 -0.0000067 0.0 0.0 0.0 0.0
 0.0006305  0.0003603  0.0001646 -0.0000422 0.0 0.0 0.0 0.0
 0.0032386  0.0018607  0.0008503 -0.0002170 0.0 0.0 0.0 0.0
 0.0140866  0.0081462  0.0037327 -0.0009565 0.0 0.0 0.0 0.0
 0.0503077  0.0294677  0.0135277 -0.0034543 0.0 0.0 0.0 0.0
 0.1382674  0.0824282  0.0380536 -0.0097692 0.0 0.0 0.0 0.0
 0.2668417  0.1595274  0.0735397 -0.0187519 0.0 0.0 0.0 0.0
 0.3405634  0.1898801  0.0862594 -0.0222446 0.0 0.0 0.0 0.0
 0.2598823  0.0651276  0.0150534 -0.0026961 0.0 0.0 0.0 0.0
 0.1179406 -0.2025890 -0.1313928  0.0344102 0.0 0.0 0.0 0.0
 0.0246232 -0.4545230 -0.2872506  0.0786950 0.0 0.0 0.0 0.0
 0.0005566 -0.3701917 -0.1530527  0.0336825 0.0 0.0 0.0 0.0
 0.0003317 -0.1010394  0.3347140 -0.1090992 0.0 0.0 0.0 0.0
-0.0001777 -0.0045294  0.5533594 -0.1933124 0.0 0.0 0.0 0.0
 0.0000475 -0.0005799  0.2763367  0.0053918 1.0 0.0 0.0 0.0
-0.0000223  0.0001896  0.0326455  0.3526719 0.0 1.0 0.0 0.0
 0.0000066 -0.0000640 -0.0012990  0.5205962 0.0 0.0 1.0 0.0
-0.0000026  0.0000206  0.0003367  0.3284256 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21178227D+04 0.71344183D+03 0.30439801D+03 0.14683060D+03 0.75193249D+02 0.39851864D+02
 0.21221476D+02 0.11236685D+02 0.57979295D+01 0.28250932D+01 0.13144705D+01 0.57117533D+00
 0.21883797D+00
-0.0002403 -0.0000838 0.0 0.0 0.0
-0.0021348 -0.0007439 0.0 0.0 0.0
-0.0119327 -0.0041803 0.0 0.0 0.0
-0.0456753 -0.0160085 0.0 0.0 0.0
-0.1273712 -0.0449348 0.0 0.0 0.0
-0.2561857 -0.0882982 0.0 0.0 0.0
-0.3565548 -0.1121912 0.0 0.0 0.0
-0.3156741 -0.0542874 0.0 0.0 0.0
-0.1427252  0.1495794 0.0 0.0 0.0
-0.0218802  0.3699621 0.0 0.0 0.0
-0.0002763  0.4061310 1.0 0.0 0.0
-0.0001280  0.2676455 0.0 1.0 0.0
 0.0000307  0.0904282 0.0 0.0 1.0
*
End

*
/Bk.ECP.Paulovic.14s10p11d9f.2s1p1d1f.19e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on BkQR(8H)
*
 19.000000         3

* S-type functions
   14    6
  17262069.850000001
   1297157.045000000
    158591.696100000
     24196.353710000
      4472.617180000
       315.898479100
        53.185279570
        12.827285180
         3.645143251
         2.624834078
         0.690023533
         0.329329911
         0.077116096
         0.029791417
      0.000176819610     -0.000049965200 0.0 0.0 0.0 0.0
      0.000732737060     -0.000207058220 0.0 0.0 0.0 0.0
      0.002399880600     -0.000678146430 0.0 0.0 0.0 0.0
      0.007452766700     -0.002106204400 0.0 0.0 0.0 0.0
      0.018315603000     -0.005175511500 0.0 0.0 0.0 0.0
     -0.117267470000      0.033202217000 0.0 0.0 0.0 0.0
      0.388124920000     -0.110853170000 0.0 0.0 0.0 0.0
     -0.880810140000      0.259201260000 0.0 0.0 0.0 0.0
      0.712950410000     -0.233619600000 0.0 0.0 0.0 0.0
      0.680054480000     -0.219986570000 0.0 0.0 0.0 0.0
     -0.949592210000      0.452101460000 1.0 0.0 0.0 0.0
     -0.438197150000      0.336275860000 0.0 1.0 0.0 0.0
     -0.015394651000     -0.693844340000 0.0 0.0 1.0 0.0
      0.003755324100     -0.532888650000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10960.362870000
      2061.054931000
       566.805137000
        76.089808970
        15.041186420
         4.225350510
         2.899382657
         0.678303873
         0.308673576
         0.125490202
      0.002424838600 0.0 0.0 0.0 0.0
      0.012500307000 0.0 0.0 0.0 0.0
      0.034928670000 0.0 0.0 0.0 0.0
     -0.138754140000 0.0 0.0 0.0 0.0
      0.348925570000 0.0 0.0 0.0 0.0
     -0.249215810000 0.0 0.0 0.0 0.0
     -0.418819700000 1.0 0.0 0.0 0.0
      0.634188380000 0.0 1.0 0.0 0.0
      0.462132770000 0.0 0.0 1.0 0.0
      0.075099903000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1156.328002000
       328.256214100
       119.167131300
        22.588092710
        11.587080950
         5.147602061
         2.640114792
         0.581834402
         0.247850037
         0.101699380
         0.041064654
      0.002454543200 0.0 0.0 0.0 0.0
      0.014153967000 0.0 0.0 0.0 0.0
      0.032656094000 0.0 0.0 0.0 0.0
     -0.077754022000 0.0 0.0 0.0 0.0
     -0.053255116000 0.0 0.0 0.0 0.0
      0.108801810000 0.0 0.0 0.0 0.0
      0.172639190000 0.0 0.0 0.0 0.0
     -0.270606770000 1.0 0.0 0.0 0.0
     -0.434028020000 0.0 1.0 0.0 0.0
     -0.370895390000 0.0 0.0 1.0 0.0
     -0.155453920000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       347.806019200
       116.761637600
        47.449449580
        20.630177240
         4.470981943
         2.136067099
         1.002679042
         0.447385188
         0.178962501
     -0.005584369200 0.0 0.0 0.0
     -0.036280837000 0.0 0.0 0.0
     -0.109040270000 0.0 0.0 0.0
     -0.147633620000 0.0 0.0 0.0
      0.273068520000 0.0 0.0 0.0
      0.405106680000 0.0 0.0 0.0
      0.340547010000 1.0 0.0 0.0
      0.186020950000 0.0 1.0 0.0
      0.051115951000 0.0 0.0 1.0
*
* Core AIMP:Bk DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    702061.530000000
    177733.692000000
     62436.169400000
     23735.499400000
      9428.443880000
      3777.852060000
      1573.363200000
       733.366286000
       280.389321000
       138.303689000
        28.046587900
         1.552424700
        18.194316100
         3.069052710
         5.593328500
      0.047762752382
      0.035520509134
      0.052815838242
      0.074617340129
      0.097072416433
      0.128625778985
      0.220239782600
      0.279444213742
      0.226063441468
      0.729601771066
      1.081653363795
      0.020788425335
      0.240856287075
      0.272183252584
      0.598017984924
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    9757.017200    1875.510260     488.406200     132.039766      31.397222
 3289202700000.000000000
  308999640000.000000000
   48207415000.000000000
    9936340600.000000000
    2463913700.000000000
     718162640.000000000
     241120930.000000000
      86786178.000000000
      30999086.000000000
      10788793.000000000
       3731439.400000000
       1313180.600000000
        479496.330000000
        184415.390000000
         75241.162000000
         32745.814000000
         15119.203000000
          7260.619300000
          3577.895200000
          1802.886500000
           922.834380000
           472.244380000
           243.036730000
           121.368650000
            70.362717000
            39.241971000
            21.307633000
            12.029259000
             6.453465400
             3.302531500
             1.320808300
             0.761371580
             0.320535130
             0.080533533
             0.030587145
    0.000002900000   -0.000001300000    0.000000600000    0.000000300000   -0.000000200000
    0.000011299999   -0.000004900000    0.000002400000    0.000001300000   -0.000000600000
    0.000031799998   -0.000013799999    0.000006800000    0.000003600000   -0.000001800000
    0.000076799996   -0.000033199998    0.000016300000    0.000008600000   -0.000004400000
    0.000165699991   -0.000071399995    0.000035100000    0.000018399999   -0.000009400000
    0.000316899983   -0.000136199991    0.000067000000    0.000035199999   -0.000017900000
    0.000563999971   -0.000242099984    0.000119000000    0.000062499998   -0.000031800000
    0.001037899946   -0.000444999970    0.000218600000    0.000114799996   -0.000058400000
    0.002006999895   -0.000859799943    0.000422399999    0.000221799993   -0.000112799999
    0.003897199797   -0.001669699889    0.000820399998    0.000430699985   -0.000219099999
    0.007400499614   -0.003175399789    0.001560799997    0.000819399972   -0.000416899997
    0.013617799289   -0.005865799610    0.002885199995    0.001514999949   -0.000770899995
    0.024077698743   -0.010448099305    0.005146199990    0.002703199909   -0.001375599991
    0.040825297869   -0.017941398807    0.008856599983    0.004654599843   -0.002368999985
    0.066220296544   -0.029686398026    0.014708499973    0.007738099739   -0.003939299975
    0.101951494679   -0.047117396867    0.023470699956    0.012362599582   -0.006296399960
    0.150431592148   -0.072653195169    0.036499299932    0.019274199349   -0.009821699937
    0.210221489027   -0.108348892795    0.055086999897    0.029160699015   -0.014873699904
    0.256001886638   -0.143193590478    0.074061999862    0.039430698668   -0.020136499871
    0.234753887747   -0.134148591080    0.069131299871    0.036638498762   -0.018699099880
    0.125400593455    0.012003899202   -0.023142299957   -0.014871899498    0.007994999949
    0.023548798771    0.341605077284   -0.290644899458   -0.176525594036    0.093529399399
    0.000446599977    0.526425064994   -0.557194998960   -0.359135187866    0.193769298756
    0.000025799999    0.237244584224   -0.167251499688   -0.104379996473    0.056941399634
   -0.000009699999   -0.006086199595    0.681413398728    0.762136374250   -0.484986496885
   -0.000049499997    0.015347398979    0.587336698904    0.844549871465   -0.567746596354
    0.000045699998   -0.008998799402    0.127355899762   -0.380541387143    0.367233697642
   -0.000026299999    0.005237399652   -0.004724399991   -0.982800166794    1.350129291329
    0.000015199999   -0.002624799825    0.004103599992   -0.249320591576    0.061837799603
   -0.000007400000    0.001134499925   -0.001844799997   -0.003487499882   -1.294168891688
    0.000003600000   -0.000571499962    0.000819199998   -0.001853699937   -0.329882797881
   -0.000002200000    0.000344699977   -0.000493699999    0.000933099968    0.077081399505
    0.000000600000   -0.000085699994    0.000126800000   -0.000166399994   -0.016098399897
   -0.000000100000    0.000020999999   -0.000030500000    0.000044199999    0.003552099977
    0.000000000000   -0.000007599999    0.000011100000   -0.000015799999   -0.001276699992
   26    4
    1538.972160     394.928980     101.057880      21.368124
 497669330.000000000
  69915323.000000000
  14087366.000000000
   3477698.000000000
    995698.960000000
    319983.830000000
    112635.400000000
     42923.413000000
     17537.005000000
      7596.025200000
      3461.186000000
      1652.686400000
       823.533960000
       426.242860000
       227.262150000
       123.468450000
        68.720218000
        38.429821000
        21.104062000
        11.817515000
         6.453288900
         3.494809300
         1.822684600
         0.827542570
         0.378528220
         0.154361630
    0.000008600000   -0.000004600000   -0.000002400000   -0.000001200000
    0.000027100001   -0.000014400000   -0.000007600000   -0.000003800000
    0.000073700002   -0.000039400001   -0.000020800001   -0.000010300001
    0.000183500004   -0.000098100003   -0.000051900003   -0.000025600001
    0.000431300010   -0.000231100007   -0.000122400006   -0.000060400003
    0.000989500023   -0.000531800015   -0.000281900014   -0.000139100007
    0.002261200053   -0.001220600034   -0.000647700032   -0.000319900016
    0.005178000120   -0.002811400079   -0.001494100075   -0.000737900038
    0.011987100278   -0.006564500185   -0.003496100175   -0.001728200088
    0.027973000650   -0.015507900437   -0.008285300414   -0.004097500209
    0.064054501488   -0.036209901020   -0.019442100973   -0.009632500490
    0.135732203153   -0.078958302224   -0.042720102137   -0.021196401079
    0.243943805666   -0.147457604154   -0.080613604032   -0.040144702044
    0.327903107616   -0.202202705696   -0.111145005560   -0.055343502817
    0.273738906358   -0.114946703238   -0.051127402557   -0.023844601214
    0.109106902534    0.206303905812    0.182243209116    0.102268805206
    0.012741300296    0.498626514047    0.448990622459    0.254193412940
    0.000934400022    0.354705909993    0.217519610881    0.101577905171
   -0.000510900012    0.080537102269   -0.444905422255   -0.379159319302
    0.000221300005    0.002166300061   -0.613320930679   -0.594872630283
   -0.000149100003    0.000834400024   -0.192779809643    0.144457307354
    0.000091300002   -0.000512600014   -0.009950800498    0.733565637344
   -0.000036200001    0.000135300004   -0.001520900076    0.374490619064
    0.000014900000   -0.000059400002    0.000434800022    0.036774701872
   -0.000005900000    0.000023500001   -0.000143600007   -0.000832600042
    0.000001500000   -0.000005900000    0.000032500002    0.000196500010
   18    3
     314.465100      70.207708      10.604702
     45059.762000000
     11182.070000000
      3725.884200000
      1473.594200000
       653.587760000
       315.012550000
       162.404700000
        88.906637000
        51.477445000
        30.567672000
        17.372994000
         9.648817500
         5.123893800
         2.632370000
         1.266237200
         0.496507080
         0.182440670
         0.060430199
    0.000099100000    0.000056799997    0.000026099998
    0.000636400001    0.000365199980    0.000168199989
    0.003366400006    0.001943699895    0.000895499941
    0.014828800028    0.008613599534    0.003977999738
    0.052734500101    0.031059898320    0.014377899051
    0.143563200275    0.085983695348    0.040012897360
    0.273671300524    0.164328391110    0.076374394961
    0.339027600649    0.187846089838    0.085687394347
    0.251249000481    0.056899896922    0.010571099303
    0.114360100219   -0.212292288516   -0.138499490863
    0.023002800044   -0.460595275083   -0.294443580574
    0.000512500001   -0.359709380541   -0.138994490830
    0.000253300000   -0.094273294900    0.356914876453
   -0.000146900000   -0.003715699799    0.550189363701
    0.000030400000   -0.000608599967    0.260411482819
   -0.000015900000    0.000181099990    0.027612398178
    0.000004400000   -0.000061699997   -0.001523399899
   -0.000001800000    0.000021499999    0.000389599974
   13    1
      39.220066
      2112.069400000
       713.212280000
       304.066890000
       146.846180000
        75.210755000
        39.847433000
        21.238294000
        11.247084000
         5.789726400
         2.824206400
         1.313858400
         0.571469320
         0.220457940
   -0.000259000010
   -0.002293000085
   -0.012752300470
   -0.048202901778
   -0.133454204922
   -0.263668109724
   -0.359529413259
   -0.308841711390
   -0.131499504850
   -0.018116400668
   -0.000408900015
   -0.000106000004
   -0.000009200000
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Bk.AE.Paulovic.35s26p18d13f.7s5p4d2f.97e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32892027D+13 0.30899964D+12 0.48207415D+11 0.99363406D+10 0.24639137D+10 0.71816264D+09
 0.24112093D+09 0.86786178D+08 0.30999086D+08 0.10788793D+08 0.37314394D+07 0.13131806D+07
 0.47949633D+06 0.18441539D+06 0.75241162D+05 0.32745814D+05 0.15119203D+05 0.72606193D+04
 0.35778952D+04 0.18028865D+04 0.92283438D+03 0.47224438D+03 0.24303673D+03 0.12136865D+03
 0.70362717D+02 0.39241971D+02 0.21307633D+02 0.12029259D+02 0.64534654D+01 0.33025315D+01
 0.13208083D+01 0.76137158D+00 0.32053513D+00 0.80533533D-01 0.30587145D-01
 0.0000029 -0.0000013  0.0000006  0.0000003 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000113 -0.0000049  0.0000024  0.0000013 -0.0000006  0.0000003  0.0000001 0.0 0.0 0.0 0.0
 0.0000318 -0.0000138  0.0000068  0.0000036 -0.0000018  0.0000008  0.0000002 0.0 0.0 0.0 0.0
 0.0000768 -0.0000332  0.0000163  0.0000086 -0.0000044  0.0000020  0.0000006 0.0 0.0 0.0 0.0
 0.0001657 -0.0000714  0.0000351  0.0000184 -0.0000094  0.0000042  0.0000012 0.0 0.0 0.0 0.0
 0.0003169 -0.0001362  0.0000670  0.0000352 -0.0000179  0.0000080  0.0000023 0.0 0.0 0.0 0.0
 0.0005640 -0.0002421  0.0001190  0.0000625 -0.0000318  0.0000142  0.0000040 0.0 0.0 0.0 0.0
 0.0010379 -0.0004450  0.0002186  0.0001148 -0.0000584  0.0000261  0.0000074 0.0 0.0 0.0 0.0
 0.0020070 -0.0008598  0.0004224  0.0002218 -0.0001128  0.0000504  0.0000142 0.0 0.0 0.0 0.0
 0.0038972 -0.0016697  0.0008204  0.0004307 -0.0002191  0.0000980  0.0000277 0.0 0.0 0.0 0.0
 0.0074005 -0.0031754  0.0015608  0.0008194 -0.0004169  0.0001864  0.0000526 0.0 0.0 0.0 0.0
 0.0136178 -0.0058658  0.0028852  0.0015150 -0.0007709  0.0003447  0.0000974 0.0 0.0 0.0 0.0
 0.0240777 -0.0104481  0.0051462  0.0027032 -0.0013756  0.0006151  0.0001737 0.0 0.0 0.0 0.0
 0.0408253 -0.0179414  0.0088566  0.0046546 -0.0023690  0.0010594  0.0002992 0.0 0.0 0.0 0.0
 0.0662203 -0.0296864  0.0147085  0.0077381 -0.0039393  0.0017615  0.0004975 0.0 0.0 0.0 0.0
 0.1019515 -0.0471174  0.0234706  0.0123627 -0.0062964  0.0028165  0.0007956 0.0 0.0 0.0 0.0
 0.1504316 -0.0726532  0.0364993  0.0192742 -0.0098217  0.0043919  0.0012403 0.0 0.0 0.0 0.0
 0.2102215 -0.1083490  0.0550870  0.0291608 -0.0148737  0.0066579  0.0018809 0.0 0.0 0.0 0.0
 0.2560019 -0.1431937  0.0740619  0.0394308 -0.0201365  0.0090042  0.0025431 0.0 0.0 0.0 0.0
 0.2347539 -0.1341486  0.0691313  0.0366386 -0.0186991  0.0083846  0.0023683 0.0 0.0 0.0 0.0
 0.1254005  0.0120038 -0.0231422 -0.0148719  0.0079950 -0.0036612 -0.0010337 0.0 0.0 0.0 0.0
 0.0235488  0.3416052 -0.2906445 -0.1765260  0.0935295 -0.0421738 -0.0119404 0.0 0.0 0.0 0.0
 0.0004466  0.5264250 -0.5571945 -0.3591360  0.1937692 -0.0881203 -0.0249192 0.0 0.0 0.0 0.0
 0.0000260  0.2372445 -0.1672520 -0.1043797  0.0569414 -0.0254332 -0.0073002 0.0 0.0 0.0 0.0
-0.0000098 -0.0060862  0.6814121  0.7621378 -0.4849863  0.2284056  0.0653232 0.0 0.0 0.0 0.0
-0.0000494  0.0153475  0.5873360  0.8445505 -0.5677465  0.2755552  0.0783343 0.0 0.0 0.0 0.0
 0.0000457 -0.0089988  0.1273574 -0.3805434  0.3672340 -0.1937479 -0.0552158 0.0 0.0 0.0 0.0
-0.0000263  0.0052375 -0.0047241 -0.9827974  1.3501275 -0.7934063 -0.2356480 0.0 0.0 0.0 0.0
 0.0000152 -0.0026247  0.0041045 -0.2493227  0.0618422  0.0245962  0.0118063 0.0 0.0 0.0 0.0
-0.0000074  0.0011346 -0.0018458 -0.0034874 -1.2941736  1.2575331  0.4028472 0.0 0.0 0.0 0.0
 0.0000036 -0.0005715  0.0008197 -0.0018525 -0.3298827  0.3401558  0.1296010 0.0 0.0 0.0 0.0
-0.0000021  0.0003447 -0.0004941  0.0009333  0.0770749 -1.1301637 -0.5172114 1.0 0.0 0.0 0.0
 0.0000006 -0.0000858  0.0001274 -0.0001654 -0.0160894 -0.4668665 -0.3665645 0.0 1.0 0.0 0.0
-0.0000001  0.0000209 -0.0000309  0.0000441  0.0035660 -0.0036156  0.6774062 0.0 0.0 1.0 0.0
 0.0000000 -0.0000075  0.0000111 -0.0000189 -0.0012874 -0.0005239  0.5635001 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.49766933D+09 0.69915323D+08 0.14087366D+08 0.34776980D+07 0.99569896D+06 0.31998383D+06
 0.11263540D+06 0.42923413D+05 0.17537005D+05 0.75960252D+04 0.34611860D+04 0.16526864D+04
 0.82353396D+03 0.42624286D+03 0.22726215D+03 0.12346845D+03 0.68720218D+02 0.38429821D+02
 0.21104062D+02 0.11817515D+02 0.64532889D+01 0.34948093D+01 0.18226846D+01 0.82754257D+00
 0.37852822D+00 0.15436163D+00
 0.0000086 -0.0000046 -0.0000024 -0.0000012  0.0000005 0.0 0.0 0.0 0.0
 0.0000271 -0.0000144 -0.0000076 -0.0000038  0.0000015 0.0 0.0 0.0 0.0
 0.0000737 -0.0000394 -0.0000208 -0.0000103  0.0000041 0.0 0.0 0.0 0.0
 0.0001835 -0.0000981 -0.0000519 -0.0000256  0.0000101 0.0 0.0 0.0 0.0
 0.0004313 -0.0002311 -0.0001224 -0.0000604  0.0000239 0.0 0.0 0.0 0.0
 0.0009895 -0.0005318 -0.0002819 -0.0001391  0.0000550 0.0 0.0 0.0 0.0
 0.0022612 -0.0012206 -0.0006477 -0.0003199  0.0001266 0.0 0.0 0.0 0.0
 0.0051780 -0.0028114 -0.0014941 -0.0007379  0.0002919 0.0 0.0 0.0 0.0
 0.0119871 -0.0065645 -0.0034961 -0.0017282  0.0006844 0.0 0.0 0.0 0.0
 0.0279730 -0.0155079 -0.0082853 -0.0040975  0.0016209 0.0 0.0 0.0 0.0
 0.0640545 -0.0362099 -0.0194421 -0.0096325  0.0038179 0.0 0.0 0.0 0.0
 0.1357322 -0.0789583 -0.0427201 -0.0211964  0.0083871 0.0 0.0 0.0 0.0
 0.2439438 -0.1474576 -0.0806136 -0.0401447  0.0159437 0.0 0.0 0.0 0.0
 0.3279031 -0.2022027 -0.1111450 -0.0553435  0.0218690 0.0 0.0 0.0 0.0
 0.2737389 -0.1149467 -0.0511274 -0.0238446  0.0094830 0.0 0.0 0.0 0.0
 0.1091069  0.2063039  0.1822432  0.1022688 -0.0420703 0.0 0.0 0.0 0.0
 0.0127413  0.4986265  0.4489906  0.2541934 -0.1028203 0.0 0.0 0.0 0.0
 0.0009344  0.3547059  0.2175197  0.1015779 -0.0412543 0.0 0.0 0.0 0.0
-0.0005109  0.0805371 -0.4449055 -0.3791593  0.1730750 0.0 0.0 0.0 0.0
 0.0002213  0.0021663 -0.6133210 -0.5948726  0.2688761 0.0 0.0 0.0 0.0
-0.0001491  0.0008344 -0.1927797  0.1444574 -0.1090899 0.0 0.0 0.0 0.0
 0.0000913 -0.0005126 -0.0099508  0.7335656 -0.5058341 0.0 0.0 0.0 0.0
-0.0000362  0.0001353 -0.0015209  0.3744906 -0.1825441 1.0 0.0 0.0 0.0
 0.0000149 -0.0000594  0.0004348  0.0367748  0.5236271 0.0 1.0 0.0 0.0
-0.0000059  0.0000235 -0.0001436 -0.0008326  0.5827533 0.0 0.0 1.0 0.0
 0.0000015 -0.0000059  0.0000325  0.0001965  0.1348112 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.45059762D+05 0.11182070D+05 0.37258842D+04 0.14735942D+04 0.65358776D+03 0.31501255D+03
 0.16240470D+03 0.88906637D+02 0.51477445D+02 0.30567672D+02 0.17372994D+02 0.96488175D+01
 0.51238938D+01 0.26323700D+01 0.12662372D+01 0.49650708D+00 0.18244067D+00 0.60430199D-01
 0.0000991  0.0000568  0.0000261 -0.0000063 0.0 0.0 0.0 0.0
 0.0006364  0.0003652  0.0001682 -0.0000405 0.0 0.0 0.0 0.0
 0.0033664  0.0019437  0.0008955 -0.0002147 0.0 0.0 0.0 0.0
 0.0148288  0.0086136  0.0039780 -0.0009579 0.0 0.0 0.0 0.0
 0.0527345  0.0310599  0.0143779 -0.0034487 0.0 0.0 0.0 0.0
 0.1435632  0.0859837  0.0400129 -0.0096542 0.0 0.0 0.0 0.0
 0.2736713  0.1643284  0.0763744 -0.0182849 0.0 0.0 0.0 0.0
 0.3390276  0.1878460  0.0856874 -0.0207937 0.0 0.0 0.0 0.0
 0.2512490  0.0568999  0.0105711 -0.0013008 0.0 0.0 0.0 0.0
 0.1143601 -0.2122923 -0.1384995  0.0339436 0.0 0.0 0.0 0.0
 0.0230028 -0.4605953 -0.2944436  0.0761003 0.0 0.0 0.0 0.0
 0.0005125 -0.3597094 -0.1389945  0.0270327 0.0 0.0 0.0 0.0
 0.0002533 -0.0942732  0.3569149 -0.1088602 0.0 0.0 0.0 0.0
-0.0001469 -0.0037157  0.5501894 -0.1798637 0.0 0.0 0.0 0.0
 0.0000304 -0.0006086  0.2604114  0.0198459 1.0 0.0 0.0 0.0
-0.0000159  0.0001811  0.0276123  0.3589527 0.0 1.0 0.0 0.0
 0.0000044 -0.0000617 -0.0015233  0.5178268 0.0 0.0 1.0 0.0
-0.0000018  0.0000215  0.0003896  0.3295660 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21120694D+04 0.71321228D+03 0.30406689D+03 0.14684618D+03 0.75210755D+02 0.39847433D+02
 0.21238294D+02 0.11247084D+02 0.57897264D+01 0.28242064D+01 0.13138584D+01 0.57146932D+00
 0.22045794D+00
-0.0002590 -0.0000924 0.0 0.0 0.0
-0.0022930 -0.0008161 0.0 0.0 0.0
-0.0127523 -0.0045688 0.0 0.0 0.0
-0.0482029 -0.0172620 0.0 0.0 0.0
-0.1334543 -0.0481534 0.0 0.0 0.0
-0.2636681 -0.0925288 0.0 0.0 0.0
-0.3595293 -0.1146442 0.0 0.0 0.0
-0.3088418 -0.0462770 0.0 0.0 0.0
-0.1314995  0.1702874 0.0 0.0 0.0
-0.0181164  0.3814601 0.0 0.0 0.0
-0.0004089  0.3967810 1.0 0.0 0.0
-0.0001060  0.2510679 0.0 1.0 0.0
-0.0000092  0.0822322 0.0 0.0 1.0
*
End

*
/Cf.ECP.Paulovic.14s10p11d9f.2s1p1d1f.20e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on CfQR(7K)
*
 20.000000         3

* S-type functions
   14    6
  27285276.300000001
   2101089.766000000
    191521.349800000
     25686.973300000
      4638.462057000
       326.862960200
        54.691675950
        13.317270710
         4.307782459
         2.932168995
         0.718410677
         0.339954929
         0.081033505
         0.031200014
      0.000137036610     -0.000038559615 0.0 0.0 0.0 0.0
      0.000630065730     -0.000177291120 0.0 0.0 0.0 0.0
      0.002453564700     -0.000690386050 0.0 0.0 0.0 0.0
      0.007665936800     -0.002157280000 0.0 0.0 0.0 0.0
      0.018337522000     -0.005159782600 0.0 0.0 0.0 0.0
     -0.117757850000      0.033202369000 0.0 0.0 0.0 0.0
      0.394174630000     -0.112142610000 0.0 0.0 0.0 0.0
     -0.897026680000      0.263094090000 0.0 0.0 0.0 0.0
      0.382851800000     -0.125380120000 0.0 0.0 0.0 0.0
      1.020323600000     -0.329753840000 0.0 0.0 0.0 0.0
     -0.953732900000      0.451434780000 1.0 0.0 0.0 0.0
     -0.433641700000      0.338298540000 0.0 1.0 0.0 0.0
     -0.014326817000     -0.687656230000 0.0 0.0 1.0 0.0
      0.003321992000     -0.541798530000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10954.527130000
      2081.394499000
       577.282742300
        78.475090640
        15.495747200
         4.653783287
         3.102251875
         0.708210502
         0.321715069
         0.126449992
      0.002562148000 0.0 0.0 0.0 0.0
      0.012926736000 0.0 0.0 0.0 0.0
      0.035337065000 0.0 0.0 0.0 0.0
     -0.140982150000 0.0 0.0 0.0 0.0
      0.355634690000 0.0 0.0 0.0 0.0
     -0.193031980000 0.0 0.0 0.0 0.0
     -0.480324610000 1.0 0.0 0.0 0.0
      0.623819000000 0.0 1.0 0.0 0.0
      0.473334640000 0.0 0.0 1.0 0.0
      0.073535591000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1188.726785000
       337.077650500
       122.548362200
        23.404410080
        12.304065240
         5.293572352
         2.740599659
         0.584813567
         0.247326182
         0.100248748
         0.038201830
     -0.002398260800 0.0 0.0 0.0 0.0
     -0.013768077000 0.0 0.0 0.0 0.0
     -0.031854342000 0.0 0.0 0.0 0.0
      0.073844758000 0.0 0.0 0.0 0.0
      0.051707113000 0.0 0.0 0.0 0.0
     -0.103054320000 0.0 0.0 0.0 0.0
     -0.164517720000 0.0 0.0 0.0 0.0
      0.253234840000 1.0 0.0 0.0 0.0
      0.415140480000 0.0 1.0 0.0 0.0
      0.393445080000 0.0 0.0 1.0 0.0
      0.179959600000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       359.065283500
       121.005398600
        49.235111320
        21.454700780
         4.671225348
         2.222034950
         1.035636215
         0.460646003
         0.184552338
     -0.005666342000 0.0 0.0 0.0
     -0.036762839000 0.0 0.0 0.0
     -0.111140180000 0.0 0.0 0.0
     -0.151090330000 0.0 0.0 0.0
      0.280500560000 0.0 0.0 0.0
      0.411300980000 0.0 0.0 0.0
      0.337147460000 1.0 0.0 0.0
      0.177556340000 0.0 1.0 0.0
      0.046002979000 0.0 0.0 1.0
*
* Core AIMP:Cf DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    705007.420000000
    179129.473000000
     63034.862300000
     23894.978200000
      9468.303600000
      3805.014930000
      1599.083930000
       749.934395000
       287.742520000
       142.398427000
        28.789968500
        18.384863300
         3.144840600
         5.772623230
         1.564168090
      0.046137244765
      0.034117532198
      0.050764329080
      0.071729852193
      0.092725167140
      0.122640357044
      0.209604164004
      0.262839901580
      0.214130836486
      0.692892744140
      1.051002648352
      0.206119699471
      0.252716294090
      0.573809857943
      0.018769371513
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   10010.592800    1931.540440     504.082900     136.608880      32.283236
 3289202700000.000000000
  308969460000.000000000
   48169758000.000000000
    9936159100.000000000
    2463913700.000000000
     718162640.000000000
     241120930.000000000
      86786178.000000000
      30999086.000000000
      10789847.000000000
       3732897.300000000
       1313180.700000000
        479496.330000000
        184415.390000000
         75241.162000000
         32745.814000000
         15119.156000000
          7260.641500000
          3577.893900000
          1802.885200000
           922.834380000
           472.244390000
           243.036730000
           121.368650000
            70.362717000
            39.241973000
            21.307633000
            12.029259000
             6.453465400
             3.302529000
             1.320808300
             0.761371000
             0.320535130
             0.080533502
             0.030587168
    0.000003200000   -0.000001400000    0.000000700000    0.000000400000   -0.000000200000
    0.000012400000   -0.000005400000    0.000002700000    0.000001400000   -0.000000700000
    0.000034600001   -0.000015100000    0.000007400000    0.000003900000   -0.000002000000
    0.000083200003   -0.000036199999    0.000017800000    0.000009400000   -0.000004800000
    0.000178600007   -0.000077399999    0.000038099999    0.000020100000   -0.000010200000
    0.000340100013   -0.000147099997    0.000072399999    0.000038100000   -0.000019500001
    0.000603200024   -0.000260499995    0.000128199998    0.000067400000   -0.000034400001
    0.001105800044   -0.000476899991    0.000234599997    0.000123400000   -0.000063100002
    0.002130900085   -0.000918399983    0.000451699994    0.000237600000   -0.000121400003
    0.004119100163   -0.001775399967    0.000873399987    0.000459399999   -0.000234700006
    0.007793400309   -0.003364099938    0.001655499976    0.000870899999   -0.000444900012
    0.014286100567   -0.006190899886    0.003048599956    0.001603999998   -0.000819500021
    0.025139700997   -0.010975599798    0.005412399922    0.002848699996   -0.001455600038
    0.042435501683   -0.018765399655    0.009274399867    0.004884099993   -0.002496100065
    0.068477202716   -0.030896099431    0.015327499780    0.008080099988   -0.004130500108
    0.104831004157   -0.048772299102    0.024325899652    0.012839799981   -0.006566400172
    0.153626106092   -0.074708798625    0.037588399462    0.019890199971   -0.010178200267
    0.212822108440   -0.110417297968    0.056207599195    0.029817699957   -0.015271400400
    0.256004410152   -0.143743397355    0.074434498934    0.039703799942   -0.020362000533
    0.230479209140   -0.129680297614    0.066397199049    0.035193499949   -0.018020600472
    0.119532104740    0.025378799533   -0.032444599535   -0.020305799971    0.010873500285
    0.021294000844    0.357612593419   -0.307550395595   -0.187642999728    0.099951902617
    0.000407300016    0.519659990437   -0.554747792054   -0.359649799478    0.195115205109
   -0.000035700001    0.220309795946   -0.123212398235   -0.068300999901    0.036230300949
    0.000042400002   -0.007066699870    0.701504289952    0.799626398840   -0.514036013460
   -0.000082800003    0.013810999746    0.561679991955    0.807210198829   -0.546179014302
    0.000068800003   -0.008060699852    0.110755998414   -0.460666599332    0.448217511737
   -0.000041000002    0.004650499914   -0.003817299945   -0.956118598613    1.363619135707
    0.000022400001   -0.002318799957    0.003205899954   -0.216451999686   -0.083452702185
   -0.000010500000    0.001001199982   -0.001470099979   -0.002706199996   -1.260229633000
    0.000005200000   -0.000503499991    0.000637699991   -0.001408999998   -0.283943807435
   -0.000003100000    0.000303499994   -0.000383299995    0.000667799999    0.064816701697
    0.000000800000   -0.000075499999    0.000098799999   -0.000106400000   -0.013376900350
   -0.000000200000    0.000018400000   -0.000023600000    0.000028700000    0.002904100076
    0.000000100000   -0.000006700000    0.000008600000   -0.000010200000   -0.001042000027
   26    4
    1578.268040     406.224540     104.204720      21.782332
 495751680.000000000
  69639169.000000000
  14029526.000000000
   3462831.100000000
    992012.770000000
    319189.270000000
    112496.160000000
     42912.494000000
     17541.815000000
      7597.768800000
      3461.186000000
      1652.416200000
       823.380630000
       426.223710000
       227.236040000
       123.411020000
        68.744082000
        38.440343000
        21.108310000
        11.844142000
         6.468124400
         3.499290300
         1.822044300
         0.830939560
         0.376130380
         0.154352460
    0.000009100000   -0.000004900000   -0.000002600000   -0.000001300000
    0.000028799999   -0.000015400000   -0.000008200001   -0.000004000000
    0.000078399997   -0.000041899999   -0.000022300002   -0.000011000000
    0.000194599991   -0.000104299998   -0.000055400006   -0.000027400000
    0.000456199980   -0.000244899996   -0.000130100014   -0.000064500000
    0.001043099953   -0.000561799990   -0.000298600032   -0.000148000000
    0.002376499894   -0.001285599977   -0.000684200074   -0.000339200000
    0.005424899758   -0.002952199946   -0.001573300170   -0.000780200001
    0.012522199441   -0.006874199875   -0.003671800397   -0.001822500002
    0.029131598701   -0.016193299705   -0.008676800937   -0.004308300005
    0.066411997038   -0.037653499314   -0.020279802191   -0.010090300013
    0.139795993765   -0.081581698514   -0.044275704784   -0.022056000028
    0.248742088905   -0.150820097253   -0.082722108938   -0.041379000052
    0.329106185320   -0.202694496308   -0.111575112055   -0.055733900070
    0.268139288040   -0.105545698078   -0.044713804831   -0.020583000026
    0.102741295417    0.224319295914    0.197613421351    0.111569300140
    0.011137799503    0.502024390856    0.454398249095    0.258153000324
    0.000873499961    0.340486293799    0.191144320652    0.084951600107
   -0.000508499977    0.072682998676   -0.474079451221   -0.409425000514
    0.000221999990    0.001710199969   -0.598426764656   -0.583171700732
   -0.000144399994    0.000678599988   -0.175269318937    0.200358100251
    0.000088099996   -0.000439999992   -0.007934100857    0.732922700920
   -0.000035099998    0.000107799998   -0.001452800157    0.344224300432
    0.000014399999   -0.000048299999    0.000405900044    0.032426000041
   -0.000005600000    0.000018600000   -0.000137000015   -0.000296400000
    0.000001400000   -0.000004900000    0.000030600003    0.000141500000
   18    3
     323.288220      72.408358      10.684805
     40561.832000000
     10077.658000000
      3459.069500000
      1410.592600000
       643.145550000
       317.264350000
       165.538760000
        89.744904000
        49.960418000
        28.286530000
        16.306974000
         9.737581900
         6.182688500
         3.825520300
         2.350730600
         1.390671500
         0.757564910
         0.327752100
    0.000123699999    0.000071200002   -0.000032899999
    0.000782799995    0.000451700010   -0.000208699991
    0.003907199975    0.002265600050   -0.001048899957
    0.016223799895    0.009479000208   -0.004393999820
    0.054543199646    0.032271300707   -0.015014499387
    0.143041299071    0.086163601888   -0.040235198356
    0.273837698221    0.164809403611   -0.077026196853
    0.353887597701    0.196520604306   -0.089440996346
    0.261410698302    0.034292900751    0.003496499857
    0.094992299383   -0.275889606045    0.179526992665
    0.013679899911   -0.439113709622    0.277176088675
    0.000717599995   -0.282448406189    0.109804695514
    0.000107299999   -0.097037702126   -0.186767992369
   -0.000103199999   -0.022703400497   -0.381819984399
    0.000013700000   -0.000217500005   -0.361140185244
   -0.000027600000   -0.000648800014   -0.205712191595
    0.000000900000    0.000129400003   -0.058271497619
   -0.000002200000   -0.000029300001   -0.004884399800
   13    1
      40.719308
      2069.963300000
       705.216110000
       304.241820000
       146.854330000
        75.147156000
        39.898308000
        21.278249000
        11.287894000
         5.831774100
         2.846038000
         1.307573500
         0.551232610
         0.202573100
   -0.000291700020
   -0.002477800167
   -0.013487500909
   -0.051119003446
   -0.139373209395
   -0.270197718215
   -0.362287824423
   -0.300144820234
   -0.121802608211
   -0.015868501070
   -0.000438600030
   -0.000156300011
   -0.000034400002
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Cf.AE.Paulovic.35s26p18d13f.7s5p4d2f.98e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32892027D+13 0.30898455D+12 0.48169758D+11 0.99439248D+10 0.24677666D+10 0.71816264D+09
 0.24112093D+09 0.86786178D+08 0.30999086D+08 0.10789715D+08 0.37321683D+07 0.13130525D+07
 0.47951075D+06 0.18442439D+06 0.75239325D+05 0.32746283D+05 0.15119202D+05 0.72605529D+04
 0.35778884D+04 0.18028852D+04 0.92283438D+03 0.47224439D+03 0.24303673D+03 0.12136865D+03
 0.70362717D+02 0.39241973D+02 0.21307633D+02 0.12029250D+02 0.64534654D+01 0.33025290D+01
 0.13208083D+01 0.76137096D+00 0.32053513D+00 0.80533489D-01 0.30587134D-01
 0.0000032 -0.0000014  0.0000007  0.0000004 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000124 -0.0000054  0.0000027  0.0000014 -0.0000007  0.0000003  0.0000001 0.0 0.0 0.0 0.0
 0.0000346 -0.0000151  0.0000074  0.0000039 -0.0000020  0.0000009  0.0000003 0.0 0.0 0.0 0.0
 0.0000831 -0.0000361  0.0000178  0.0000094 -0.0000048  0.0000021  0.0000006 0.0 0.0 0.0 0.0
 0.0001786 -0.0000774  0.0000381  0.0000201 -0.0000103  0.0000046  0.0000013 0.0 0.0 0.0 0.0
 0.0003405 -0.0001473  0.0000725  0.0000381 -0.0000195  0.0000087  0.0000025 0.0 0.0 0.0 0.0
 0.0006029 -0.0002604  0.0001281  0.0000674 -0.0000345  0.0000154  0.0000043 0.0 0.0 0.0 0.0
 0.0011060 -0.0004770  0.0002347  0.0001234 -0.0000631  0.0000283  0.0000080 0.0 0.0 0.0 0.0
 0.0021305 -0.0009182  0.0004517  0.0002376 -0.0001215  0.0000544  0.0000153 0.0 0.0 0.0 0.0
 0.0041199 -0.0017758  0.0008736  0.0004595 -0.0002349  0.0001052  0.0000297 0.0 0.0 0.0 0.0
 0.0077947 -0.0033647  0.0016557  0.0008710 -0.0004453  0.0001994  0.0000562 0.0 0.0 0.0 0.0
 0.0142847 -0.0061902  0.0030483  0.0016039 -0.0008199  0.0003673  0.0001035 0.0 0.0 0.0 0.0
 0.0251370 -0.0109744  0.0054118  0.0028485 -0.0014564  0.0006524  0.0001839 0.0 0.0 0.0 0.0
 0.0424369 -0.0187659  0.0092747  0.0048845 -0.0024977  0.0011189  0.0003153 0.0 0.0 0.0 0.0
 0.0684803 -0.0308974  0.0153281  0.0080808 -0.0041332  0.0018516  0.0005218 0.0 0.0 0.0 0.0
 0.1048235 -0.0487686  0.0243241  0.0128395 -0.0065699  0.0029439  0.0008296 0.0 0.0 0.0 0.0
 0.1536356 -0.0747129  0.0375904  0.0198922 -0.0101849  0.0045633  0.0012863 0.0 0.0 0.0 0.0
 0.2128181 -0.1104150  0.0562065  0.0298186 -0.0152803  0.0068504  0.0019301 0.0 0.0 0.0 0.0
 0.2560050 -0.1437426  0.0744338  0.0397052 -0.0203742  0.0091316  0.0025761 0.0 0.0 0.0 0.0
 0.2304765 -0.1296785  0.0663968  0.0351952 -0.0180312  0.0080884  0.0022733 0.0 0.0 0.0 0.0
 0.1195350  0.0253765 -0.0324436 -0.0203070  0.0108793 -0.0049455 -0.0013799 0.0 0.0 0.0 0.0
 0.0212919  0.3576086 -0.3075420 -0.1876454  0.1000105 -0.0452515 -0.0128155 0.0 0.0 0.0 0.0
 0.0004092  0.5196540 -0.5547433 -0.3596671  0.1952307 -0.0888742 -0.0250101 0.0 0.0 0.0 0.0
-0.0000377  0.2203220 -0.1232495 -0.0683438  0.0362881 -0.0162226 -0.0048684 0.0 0.0 0.0 0.0
 0.0000443 -0.0070682  0.7015258  0.7997142 -0.5144161  0.2438801  0.0700266 0.0 0.0 0.0 0.0
-0.0000843  0.0138127  0.5616739  0.8073432 -0.5465443  0.2653212  0.0745027 0.0 0.0 0.0 0.0
 0.0000698 -0.0080629  0.1107691 -0.4610522  0.4486899 -0.2365059 -0.0661407 0.0 0.0 0.0 0.0
-0.0000417  0.0046514 -0.0038229 -0.9558421  1.3643449 -0.8150328 -0.2440923 0.0 0.0 0.0 0.0
 0.0000228 -0.0023191  0.0032071 -0.2164977 -0.0826971  0.1413960  0.0507805 0.0 0.0 0.0 0.0
-0.0000107  0.0010015 -0.0014736 -0.0027202 -1.2636663  1.2436882  0.3947218 0.0 0.0 0.0 0.0
 0.0000053 -0.0005037  0.0006399 -0.0013899 -0.2816746  0.2294419  0.0984578 0.0 0.0 0.0 0.0
-0.0000032  0.0003036 -0.0003839  0.0006690  0.0649473 -1.1085629 -0.5291155 1.0 0.0 0.0 0.0
 0.0000008 -0.0000754  0.0000995 -0.0001058 -0.0132523 -0.4288637 -0.3341501 0.0 1.0 0.0 0.0
-0.0000002  0.0000185 -0.0000239  0.0000284  0.0028790 -0.0000102  0.7192841 0.0 0.0 1.0 0.0
 0.0000001 -0.0000068  0.0000082 -0.0000085 -0.0010230 -0.0014385  0.5193621 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.49893726D+09 0.70092142D+08 0.14130334D+08 0.34911459D+07 0.99744000D+06 0.31949996D+06
 0.11262375D+06 0.42940755D+05 0.17533379D+05 0.75962175D+04 0.34611020D+04 0.16528187D+04
 0.82355159D+03 0.42629643D+03 0.22728495D+03 0.12338511D+03 0.68757850D+02 0.38455050D+02
 0.21082918D+02 0.11816539D+02 0.64666029D+01 0.34896242D+01 0.18182042D+01 0.83414024D+00
 0.37741286D+00 0.15531248D+00
 0.0000091 -0.0000048 -0.0000026 -0.0000013  0.0000005 0.0 0.0 0.0 0.0
 0.0000287 -0.0000153 -0.0000081 -0.0000040  0.0000016 0.0 0.0 0.0 0.0
 0.0000779 -0.0000417 -0.0000221 -0.0000110  0.0000043 0.0 0.0 0.0 0.0
 0.0001934 -0.0001036 -0.0000550 -0.0000273  0.0000108 0.0 0.0 0.0 0.0
 0.0004561 -0.0002449 -0.0001301 -0.0000645  0.0000255 0.0 0.0 0.0 0.0
 0.0010443 -0.0005624 -0.0002990 -0.0001483  0.0000586 0.0 0.0 0.0 0.0
 0.0023721 -0.0012832 -0.0006829 -0.0003390  0.0001340 0.0 0.0 0.0 0.0
 0.0054306 -0.0029553 -0.0015750 -0.0007819  0.0003090 0.0 0.0 0.0 0.0
 0.0125316 -0.0068792 -0.0036746 -0.0018260  0.0007222 0.0 0.0 0.0 0.0
 0.0291268 -0.0161910 -0.0086760 -0.0043130  0.0017045 0.0 0.0 0.0 0.0
 0.0663941 -0.0376422 -0.0202746 -0.0100992  0.0039975 0.0 0.0 0.0 0.0
 0.1397272 -0.0815437 -0.0442570 -0.0220730  0.0087268 0.0 0.0 0.0 0.0
 0.2487522 -0.1508144 -0.0827217 -0.0414247  0.0164275 0.0 0.0 0.0 0.0
 0.3290516 -0.2026919 -0.1115819 -0.0558080  0.0220416 0.0 0.0 0.0 0.0
 0.2682348 -0.1055517 -0.0447137 -0.0205921  0.0081245 0.0 0.0 0.0 0.0
 0.1028176  0.2242916  0.1976212  0.1116788 -0.0457833 0.0 0.0 0.0 0.0
 0.0110670  0.5016445  0.4541148  0.2583711 -0.1046199 0.0 0.0 0.0 0.0
 0.0009137  0.3408606  0.1913970  0.0850517 -0.0338637 0.0 0.0 0.0 0.0
-0.0005331  0.0727983 -0.4765220 -0.4118567  0.1875072 0.0 0.0 0.0 0.0
 0.0002388  0.0015352 -0.5972049 -0.5837825  0.2647143 0.0 0.0 0.0 0.0
-0.0001543  0.0007391 -0.1736979  0.2045800 -0.1465279 0.0 0.0 0.0 0.0
 0.0000936 -0.0004707 -0.0084878  0.7361646 -0.5071995 0.0 0.0 0.0 0.0
-0.0000380  0.0001236 -0.0011645  0.3401664 -0.1477858 1.0 0.0 0.0 0.0
 0.0000156 -0.0000538  0.0003202  0.0307514  0.5484648 0.0 1.0 0.0 0.0
-0.0000060  0.0000208 -0.0000996 -0.0003315  0.5640171 0.0 0.0 1.0 0.0
 0.0000015 -0.0000054  0.0000216  0.0000784  0.1218112 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.41517970D+05 0.10302684D+05 0.34800733D+04 0.14173787D+04 0.64827795D+03 0.31843070D+03
 0.16510590D+03 0.89881114D+02 0.50624429D+02 0.28822024D+02 0.16138915D+02 0.89122288D+01
 0.46936967D+01 0.24031058D+01 0.11513709D+01 0.44003599D+00 0.15781510D+00 0.51771969D-01
 0.0001187  0.0000683  0.0000316 -0.0000070 0.0 0.0 0.0 0.0
 0.0007656  0.0004415  0.0002048 -0.0000453 0.0 0.0 0.0 0.0
 0.0039015  0.0022634  0.0010502 -0.0002315 0.0 0.0 0.0 0.0
 0.0160162  0.0093530  0.0043530 -0.0009646 0.0 0.0 0.0 0.0
 0.0538226  0.0318581  0.0148517 -0.0032755 0.0 0.0 0.0 0.0
 0.1439668  0.0866587  0.0406408 -0.0090243 0.0 0.0 0.0 0.0
 0.2753980  0.1659213  0.0776303 -0.0170919 0.0 0.0 0.0 0.0
 0.3481016  0.1929734  0.0885227 -0.0197398 0.0 0.0 0.0 0.0
 0.2597721  0.0409524 -0.0003575  0.0013194 0.0 0.0 0.0 0.0
 0.1002291 -0.2717378 -0.1755847  0.0397666 0.0 0.0 0.0 0.0
 0.0147053 -0.4781568 -0.3078721  0.0732022 0.0 0.0 0.0 0.0
 0.0003587 -0.3072959 -0.0561390  0.0026668 0.0 0.0 0.0 0.0
 0.0000563 -0.0631803  0.4400501 -0.1221892 0.0 0.0 0.0 0.0
-0.0000745 -0.0013003  0.5132154 -0.1514253 0.0 0.0 0.0 0.0
 0.0000053 -0.0004773  0.1972395  0.0631614 1.0 0.0 0.0 0.0
-0.0000065  0.0001288  0.0158105  0.3726861 0.0 1.0 0.0 0.0
 0.0000018 -0.0000468 -0.0007150  0.5075045 0.0 0.0 1.0 0.0
-0.0000005  0.0000146  0.0002676  0.3149196 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21331922D+04 0.71853979D+03 0.30678101D+03 0.14818332D+03 0.75758844D+02 0.39923067D+02
 0.21099163D+02 0.11123759D+02 0.57476140D+01 0.28458669D+01 0.13427102D+01 0.58786559D+00
 0.22732217D+00
-0.0002733  0.0000996 0.0 0.0 0.0
-0.0024131  0.0008759 0.0 0.0 0.0
-0.0133097  0.0048737 0.0 0.0 0.0
-0.0501451  0.0183207 0.0 0.0 0.0
-0.1388036  0.0511877 0.0 0.0 0.0
-0.2740545  0.0977827 0.0 0.0 0.0
-0.3673376  0.1182827 0.0 0.0 0.0
-0.2981174  0.0340668 0.0 0.0 0.0
-0.1173350 -0.1897311 0.0 0.0 0.0
-0.0151439 -0.3822003 0.0 0.0 0.0
-0.0005105 -0.3858613 1.0 0.0 0.0
-0.0001046 -0.2415160 0.0 1.0 0.0
-0.0000292 -0.0758872 0.0 0.0 1.0
*
End

*
/Es.ECP.Paulovic.14s10p11d9f.2s1p1d1f.21e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on EsQR(6L)
*
 21.000000         3

* S-type functions
   14    6
  19412305.270000000
   1739201.650000000
    180206.691400000
     25862.262080000
      4799.587022000
       338.789917800
        56.604565020
        13.858431480
         4.033417257
         2.862521890
         0.742207985
         0.344395167
         0.082296811
         0.031717647
      0.000175872960     -0.000049084984 0.0 0.0 0.0 0.0
      0.000716582510     -0.000199996420 0.0 0.0 0.0 0.0
      0.002604877400     -0.000727000180 0.0 0.0 0.0 0.0
      0.007825333000     -0.002184241900 0.0 0.0 0.0 0.0
      0.018369383000     -0.005126643300 0.0 0.0 0.0 0.0
     -0.119038650000      0.033289542000 0.0 0.0 0.0 0.0
      0.398760280000     -0.112512100000 0.0 0.0 0.0 0.0
     -0.900985410000      0.261903860000 0.0 0.0 0.0 0.0
      0.679325900000     -0.218498030000 0.0 0.0 0.0 0.0
      0.726516310000     -0.234097510000 0.0 0.0 0.0 0.0
     -0.979559870000      0.462780340000 1.0 0.0 0.0 0.0
     -0.411756920000      0.321492020000 0.0 1.0 0.0 0.0
     -0.012411200000     -0.700141900000 0.0 0.0 1.0 0.0
      0.002888881500     -0.526707220000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10967.201200000
      2146.776845000
       599.221200900
        80.401954490
        16.011511400
         4.443284250
         2.989974291
         0.746067116
         0.341846524
         0.141183140
      0.002643959500 0.0 0.0 0.0 0.0
      0.012809312000 0.0 0.0 0.0 0.0
      0.035387492000 0.0 0.0 0.0 0.0
     -0.141804690000 0.0 0.0 0.0 0.0
      0.357161070000 0.0 0.0 0.0 0.0
     -0.311932410000 0.0 0.0 0.0 0.0
     -0.366189640000 1.0 0.0 0.0 0.0
      0.611395980000 0.0 1.0 0.0 0.0
      0.477567650000 0.0 0.0 1.0 0.0
      0.087262727000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1195.983663000
       340.281129200
       125.030294100
        24.189024000
        12.841989460
         5.677719174
         2.887286099
         0.605324016
         0.249038162
         0.099798525
         0.042057568
     -0.002457541000 0.0 0.0 0.0 0.0
     -0.013796627000 0.0 0.0 0.0 0.0
     -0.031193991000 0.0 0.0 0.0 0.0
      0.071725954000 0.0 0.0 0.0 0.0
      0.053094211000 0.0 0.0 0.0 0.0
     -0.095881408000 0.0 0.0 0.0 0.0
     -0.167067870000 0.0 0.0 0.0 0.0
      0.251036290000 1.0 0.0 0.0 0.0
      0.427034920000 0.0 1.0 0.0 0.0
      0.369836890000 0.0 0.0 1.0 0.0
      0.194040310000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       374.142153200
       125.663972700
        51.164671480
        22.321579970
         4.882053117
         2.328418502
         1.089400369
         0.486385084
         0.193319469
     -0.005647787700 0.0 0.0 0.0
     -0.036969171000 0.0 0.0 0.0
     -0.112439110000 0.0 0.0 0.0
     -0.154163480000 0.0 0.0 0.0
      0.284377850000 0.0 0.0 0.0
      0.411170820000 0.0 0.0 0.0
      0.333194200000 1.0 0.0 0.0
      0.176571750000 0.0 1.0 0.0
      0.045878835000 0.0 0.0 1.0
*
* Core AIMP:Es DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    710326.990000000
    181431.278000000
     64066.111100000
     24336.877900000
      9679.567540000
      3907.275410000
      1646.908580000
       772.926475000
       297.164826000
       146.721514000
         3.240133200
        29.551264300
        18.534139800
         5.957640210
         1.608712300
      0.044587694014
      0.032740980766
      0.048604276524
      0.068367283511
      0.087880488936
      0.116550948790
      0.199304886085
      0.249905474453
      0.203165454475
      0.661237343918
      0.235022437710
      1.023186753153
      0.174489375263
      0.552455026029
      0.016787290658
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   10270.028200    1989.445140     520.593300     141.720160      33.611322
 3289200500000.000000000
  308969460000.000000000
   48150946000.000000000
    9878113100.000000000
    2448562300.000000000
     718162640.000000000
     241168030.000000000
      86850899.000000000
      31059691.000000000
      10819383.000000000
       3737274.400000000
       1312667.800000000
        479496.330000000
        184415.390000000
         75248.511000000
         32746.781000000
         15119.492000000
          7260.552900000
          3577.893900000
          1802.885200000
           922.834380000
           472.244390000
           243.036730000
           121.368650000
            70.362717000
            39.241977000
            21.307633000
            12.029259000
             6.453465400
             3.302529000
             1.320808300
             0.761371090
             0.320535250
             0.080533471
             0.030586724
    0.000003600000   -0.000001600000    0.000000800000    0.000000400000   -0.000000200000
    0.000013600001   -0.000006000000    0.000003000000    0.000001600000   -0.000000800000
    0.000037900004   -0.000016600001    0.000008199999    0.000004300000   -0.000002200000
    0.000090900009   -0.000039800002    0.000019599999    0.000010300001   -0.000005300000
    0.000192800020   -0.000084100005    0.000041499997    0.000021900001   -0.000011200000
    0.000364100037   -0.000158500009    0.000078099994    0.000041200002   -0.000021100000
    0.000645900066   -0.000280700015    0.000138199990    0.000072900004   -0.000037400000
    0.001176500120   -0.000510600027    0.000251399982    0.000132500007   -0.000068000000
    0.002257300231   -0.000978800053    0.000481999965    0.000254100014   -0.000130400001
    0.004350300444   -0.001886500101    0.000929099933    0.000489700026   -0.000251300001
    0.008220800840   -0.003570300192    0.001758899874    0.000927100050   -0.000475800003
    0.014990701531   -0.006536000351    0.003222099769    0.001698700092   -0.000871800005
    0.026237202680   -0.011525600620    0.005690099592    0.003000900162   -0.001540200009
    0.044102504505   -0.019625301055    0.009710599304    0.005124100277   -0.002630500016
    0.070776907229   -0.032140801728    0.015964798856    0.008433100455   -0.004330300026
    0.107762811007   -0.050472202714    0.025204798194    0.013331100720   -0.006848400040
    0.156794316016   -0.076772904129    0.038683297229    0.020511501108   -0.010543200062
    0.215334821995   -0.112442906047    0.057304095895    0.030463201645   -0.015672700093
    0.255762726125   -0.144061407747    0.074672894650    0.039904402155   -0.020555300122
    0.226058823091   -0.124802806712    0.063376595460    0.033576401813   -0.017259100102
    0.113755211619    0.039181002107   -0.042176896978   -0.026027801406    0.013953200082
    0.019229101964    0.372972220058   -0.324295776767   -0.198784310736    0.106451400629
    0.000363800037    0.511726627520   -0.550345260572   -0.358804419378    0.195878901158
   -0.000075000008    0.203829310962   -0.077735094431   -0.030003501620    0.013579000080
    0.000073300007   -0.007654000412    0.718019248560    0.834354445062   -0.541432603201
   -0.000100500010    0.012317400662    0.535368461645    0.765175141326   -0.521944603086
    0.000080800008   -0.007141700384    0.095492493159   -0.538582929088    0.533970003157
   -0.000048600005    0.004078200219   -0.002789699800   -0.923870749897    1.362790908057
    0.000026000003   -0.002021500109    0.002337599833   -0.186650210081   -0.223704601323
   -0.000012000001    0.000872100047   -0.001107599921   -0.002251600122   -1.221729207223
    0.000006000001   -0.000437700024    0.000462099967   -0.000994000054   -0.240971101425
   -0.000003600000    0.000263600014   -0.000275799980    0.000436800024    0.053897200319
    0.000000900000   -0.000065500004    0.000071699995   -0.000053800003   -0.010850600064
   -0.000000200000    0.000016000001   -0.000016999999    0.000015300001    0.002319000014
    0.000000100000   -0.000005800000    0.000006200000   -0.000005300000   -0.000829600005
   26    4
    1618.574460     418.131640     107.822410      22.603784
 494030950.000000000
  69362480.000000000
  13970464.000000000
   3447261.300000000
    988270.040000000
    318381.150000000
    112357.890000000
     42905.634000000
     17547.522000000
      7599.270300000
      3461.028100000
      1652.259400000
       823.155420000
       426.250210000
       227.284330000
       123.335940000
        68.749668000
        38.431622000
        21.118025000
        11.866500000
         6.484992200
         3.500116900
         1.821364000
         0.832306100
         0.376249140
         0.154373310
    0.000009700000   -0.000005200000   -0.000002800000   -0.000001400000
    0.000030599998   -0.000016400001   -0.000008700000   -0.000004300000
    0.000083299996   -0.000044600003   -0.000023799999   -0.000011800000
    0.000206399990   -0.000110800008   -0.000058999998   -0.000029399999
    0.000482299976   -0.000259500019   -0.000138199995   -0.000068799998
    0.001099399944   -0.000593400043   -0.000316299988   -0.000157499995
    0.002496499874   -0.001353400098   -0.000722299973   -0.000359899989
    0.005681099713   -0.003098700225   -0.001655999937   -0.000825199975
    0.013075699339   -0.007195200522   -0.003854299854   -0.001922799942
    0.030331498466   -0.016905401226   -0.009084699656   -0.004532999864
    0.068811096520   -0.039126602837   -0.021137999200   -0.010571199683
    0.143903792723   -0.084247106109   -0.045861798264   -0.022958799311
    0.253501387181   -0.154150611179   -0.084822896788   -0.042655498720
    0.329827383322   -0.202801114707   -0.111761595768   -0.056054298318
    0.262468586728   -0.095702806940   -0.037940498563   -0.017099699487
    0.096687995111    0.242294017571    0.213300891924    0.121258996361
    0.009650399512    0.504393136578    0.458465282641    0.261580592150
    0.000835799958    0.326078223647    0.163798393798    0.067378897978
   -0.000513499974    0.065152604725   -0.502386280979   -0.440284186787
    0.000226799989    0.001499900109   -0.581578177980   -0.568422082941
   -0.000142099993    0.000451700033   -0.158672893992    0.256443592304
    0.000086199996   -0.000330400024   -0.006470199755    0.730555978075
   -0.000034699998    0.000064700005   -0.001278399952    0.313888690580
    0.000014099999   -0.000030500002    0.000356799986    0.027476399175
   -0.000005500000    0.000011600001   -0.000119999995   -0.000130699996
    0.000001400000   -0.000003100000    0.000026299999    0.000089499997
   18    3
     332.645200      75.053256      11.133812
     39167.537000000
      9783.312200000
      3387.703900000
      1395.598600000
       639.246360000
       315.369760000
       164.600020000
        89.547050000
        49.993186000
        28.175649000
        15.973479000
         9.123465300
         5.365005400
         3.546182600
         2.468913200
         1.394618000
         0.705459450
         0.279658580
    0.000137599999    0.000079500002   -0.000037000000
    0.000862799995    0.000500000015   -0.000232700002
    0.004216899978    0.002457000074   -0.001145400008
    0.017156699909    0.010069300302   -0.004701000034
    0.057279599697    0.034069801022   -0.015964400117
    0.149172599210    0.090269102708   -0.042458100310
    0.280086798517    0.169164405074   -0.079591100582
    0.352084398135    0.194017905820   -0.088539900647
    0.254408598653    0.021865000656    0.011063500081
    0.089953199524   -0.298506308954    0.194807501423
    0.011216799941   -0.462863013884    0.294696002153
    0.000755699996   -0.276685208299    0.052682600385
   -0.000295999998   -0.062938401888   -0.303286602216
    0.000228199999   -0.009880800296   -0.252718301846
   -0.000164999999   -0.000503500015   -0.354071602587
    0.000022000000   -0.000467000014   -0.216993501585
   -0.000012500000    0.000061200002   -0.045733600334
    0.000000500000   -0.000018900001   -0.002596900019
   13    1
      42.652628
      2103.772100000
       706.692940000
       301.082950000
       145.673720000
        75.271662000
        40.177192000
        21.406081000
        11.314285000
         5.833209800
         2.867056100
         1.329783900
         0.566995660
         0.210339250
   -0.000303900000
   -0.002687499997
   -0.014775099985
   -0.054036099945
   -0.143257799855
   -0.275242999721
   -0.366477599628
   -0.293747699702
   -0.111550599887
   -0.013379599986
   -0.000549199999
   -0.000146400000
   -0.000057600000
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Es.AE.Paulovic.35s26p18d13f.7s5p4d2f.99e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32882497D+13 0.30896946D+12 0.48132141D+11 0.99519423D+10 0.24822665D+10 0.72317544D+09
 0.24128385D+09 0.86825829D+08 0.30992025D+08 0.10807654D+08 0.37342458D+07 0.13130125D+07
 0.47970295D+06 0.18448744D+06 0.75248511D+05 0.32746381D+05 0.15119498D+05 0.72606093D+04
 0.35778951D+04 0.18028848D+04 0.92283508D+03 0.47224439D+03 0.24303673D+03 0.12136871D+03
 0.70362702D+02 0.39241992D+02 0.21307625D+02 0.12029264D+02 0.64534605D+01 0.33025290D+01
 0.13208075D+01 0.76137167D+00 0.32053513D+00 0.80533471D-01 0.30587283D-01
 0.0000036 -0.0000016  0.0000008  0.0000004 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000136 -0.0000060  0.0000030  0.0000016 -0.0000008  0.0000004  0.0000001 0.0 0.0 0.0 0.0
 0.0000378 -0.0000166  0.0000082  0.0000043 -0.0000022  0.0000010  0.0000003 0.0 0.0 0.0 0.0
 0.0000899 -0.0000393  0.0000194  0.0000102 -0.0000052  0.0000024  0.0000007 0.0 0.0 0.0 0.0
 0.0001912 -0.0000834  0.0000411  0.0000217 -0.0000111  0.0000050  0.0000014 0.0 0.0 0.0 0.0
 0.0003657 -0.0001592  0.0000784  0.0000413 -0.0000212  0.0000095  0.0000027 0.0 0.0 0.0 0.0
 0.0006468 -0.0002810  0.0001384  0.0000730 -0.0000375  0.0000168  0.0000047 0.0 0.0 0.0 0.0
 0.0011790 -0.0005117  0.0002520  0.0001328 -0.0000682  0.0000306  0.0000085 0.0 0.0 0.0 0.0
 0.0022603 -0.0009801  0.0004827  0.0002544 -0.0001306  0.0000586  0.0000164 0.0 0.0 0.0 0.0
 0.0043501 -0.0018864  0.0009290  0.0004897 -0.0002514  0.0001128  0.0000315 0.0 0.0 0.0 0.0
 0.0082197 -0.0035698  0.0017586  0.0009270 -0.0004760  0.0002135  0.0000597 0.0 0.0 0.0 0.0
 0.0149766 -0.0065298  0.0032191  0.0016971 -0.0008715  0.0003909  0.0001092 0.0 0.0 0.0 0.0
 0.0262329 -0.0115236  0.0056891  0.0030005 -0.0015409  0.0006912  0.0001931 0.0 0.0 0.0 0.0
 0.0441006 -0.0196243  0.0097101  0.0051241 -0.0026319  0.0011806  0.0003299 0.0 0.0 0.0 0.0
 0.0708050 -0.0321532  0.0159710  0.0084367 -0.0043345  0.0019445  0.0005434 0.0 0.0 0.0 0.0
 0.1077419 -0.0504625  0.0252000  0.0133291 -0.0068511  0.0030738  0.0008588 0.0 0.0 0.0 0.0
 0.1568123 -0.0767807  0.0386871  0.0205144 -0.0105505  0.0047343  0.0013235 0.0 0.0 0.0 0.0
 0.2153131 -0.1124320  0.0572987  0.0304617 -0.0156803  0.0070375  0.0019652 0.0 0.0 0.0 0.0
 0.2557869 -0.1440728  0.0746784  0.0399090 -0.0205693  0.0092362  0.0025857 0.0 0.0 0.0 0.0
 0.2260364 -0.1247907  0.0633709  0.0335750 -0.0172667  0.0077440  0.0021525 0.0 0.0 0.0 0.0
 0.1137757  0.0391685 -0.0421707 -0.0260260  0.0139575 -0.0063197 -0.0017408 0.0 0.0 0.0 0.0
 0.0192118  0.3729778 -0.3242919 -0.1987893  0.1065178 -0.0483322 -0.0135960 0.0 0.0 0.0 0.0
 0.0003789  0.5117124 -0.5503379 -0.3588181  0.1959836 -0.0892673 -0.0248511 0.0 0.0 0.0 0.0
-0.0000903  0.2038513 -0.0777760 -0.0300511  0.0136484 -0.0060186 -0.0021222 0.0 0.0 0.0 0.0
 0.0000880 -0.0076659  0.7180471  0.8344593 -0.5418828  0.2584008  0.0739010 0.0 0.0 0.0 0.0
-0.0001115  0.0123269  0.5353573  0.7652709 -0.5221809  0.2533804  0.0698754 0.0 0.0 0.0 0.0
 0.0000886 -0.0071498  0.0955100 -0.5389396  0.5343128 -0.2824136 -0.0776806 0.0 0.0 0.0 0.0
-0.0000536  0.0040829 -0.0027984 -0.9235879  1.3637683 -0.8271189 -0.2477243 0.0 0.0 0.0 0.0
 0.0000286 -0.0020239  0.0023397 -0.1867187 -0.2233950  0.2589486  0.0888770 0.0 0.0 0.0 0.0
-0.0000132  0.0008733 -0.0011122 -0.0022537 -1.2248649  1.2181707  0.3808898 0.0 0.0 0.0 0.0
 0.0000066 -0.0004383  0.0004641 -0.0009812 -0.2386221  0.1211180  0.0658452 0.0 0.0 0.0 0.0
-0.0000039  0.0002638 -0.0002771  0.0004413  0.0538757 -1.0792406 -0.5315985 1.0 0.0 0.0 0.0
 0.0000010 -0.0000657  0.0000721 -0.0000496 -0.0106966 -0.3945476 -0.3014291 0.0 1.0 0.0 0.0
-0.0000003  0.0000160 -0.0000168  0.0000149  0.0022930  0.0027062  0.7432438 0.0 0.0 1.0 0.0
 0.0000001 -0.0000058  0.0000064 -0.0000067 -0.0008252 -0.0021312  0.4897854 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50021836D+09 0.70708514D+08 0.14273882D+08 0.35267210D+07 0.10046319D+07 0.31983215D+06
 0.11262684D+06 0.42993092D+05 0.17523364D+05 0.75935044D+04 0.34617103D+04 0.16531588D+04
 0.82416833D+03 0.42631008D+03 0.22695463D+03 0.12337580D+03 0.68820925D+02 0.38497063D+02
 0.21049186D+02 0.11804630D+02 0.64422798D+01 0.34713789D+01 0.18034633D+01 0.84119835D+00
 0.38183898D+00 0.15791512D+00
 0.0000096 -0.0000051 -0.0000027 -0.0000014  0.0000005 0.0 0.0 0.0 0.0
 0.0000302 -0.0000162 -0.0000086 -0.0000043  0.0000017 0.0 0.0 0.0 0.0
 0.0000819 -0.0000439 -0.0000234 -0.0000116  0.0000046 0.0 0.0 0.0 0.0
 0.0002030 -0.0001090 -0.0000580 -0.0000289  0.0000114 0.0 0.0 0.0 0.0
 0.0004808 -0.0002587 -0.0001378 -0.0000687  0.0000271 0.0 0.0 0.0 0.0
 0.0011034 -0.0005955 -0.0003174 -0.0001582  0.0000624 0.0 0.0 0.0 0.0
 0.0024875 -0.0013486 -0.0007197 -0.0003590  0.0001416 0.0 0.0 0.0 0.0
 0.0056893 -0.0031030 -0.0016584 -0.0008273  0.0003263 0.0 0.0 0.0 0.0
 0.0131199 -0.0072200 -0.0038677 -0.0019316  0.0007624 0.0 0.0 0.0 0.0
 0.0302926 -0.0168827 -0.0090731 -0.0045323  0.0017877 0.0 0.0 0.0 0.0
 0.0687780 -0.0391113 -0.0211299 -0.0105793  0.0041789 0.0 0.0 0.0 0.0
 0.1436651 -0.0840936 -0.0457817 -0.0229440  0.0090536 0.0 0.0 0.0 0.0
 0.2532580 -0.1540257 -0.0847509 -0.0426688  0.0168861 0.0 0.0 0.0 0.0
 0.3308157 -0.2033040 -0.1120536 -0.0562605  0.0221754 0.0 0.0 0.0 0.0
 0.2623629 -0.0956135 -0.0378015 -0.0170499  0.0066788 0.0 0.0 0.0 0.0
 0.0960881  0.2420382  0.2127739  0.1211064 -0.0495289 0.0 0.0 0.0 0.0
 0.0099964  0.5034264  0.4582716  0.2617781 -0.1058460 0.0 0.0 0.0 0.0
 0.0006433  0.3272378  0.1637759  0.0674581 -0.0262893 0.0 0.0 0.0 0.0
-0.0003826  0.0657558 -0.5069105 -0.4456621  0.2029455 0.0 0.0 0.0 0.0
 0.0001416  0.0009171 -0.5799608 -0.5664408  0.2559449 0.0 0.0 0.0 0.0
-0.0000916  0.0006952 -0.1553554  0.2670995 -0.1843222 0.0 0.0 0.0 0.0
 0.0000596 -0.0004586 -0.0062131  0.7339303 -0.5063282 0.0 0.0 0.0 0.0
-0.0000233  0.0001269 -0.0011905  0.3045468 -0.1071383 1.0 0.0 0.0 0.0
 0.0000099 -0.0000553  0.0003527  0.0248596  0.5586760 0.0 1.0 0.0 0.0
-0.0000038  0.0000211 -0.0001123  0.0002623  0.5477161 0.0 0.0 1.0 0.0
 0.0000010 -0.0000054  0.0000245 -0.0000586  0.1168747 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.38328966D+05 0.97394136D+04 0.34086203D+04 0.14296671D+04 0.66421321D+03 0.32802190D+03
 0.16884447D+03 0.89862520D+02 0.49048410D+02 0.27164702D+02 0.15150268D+02 0.84264252D+01
 0.45095897D+01 0.23252452D+01 0.11175553D+01 0.42473773D+00 0.15105583D+00 0.49529763D-01
 0.0001403  0.0000811  0.0000378 -0.0000082 0.0 0.0 0.0 0.0
 0.0008623  0.0004997  0.0002333 -0.0000505 0.0 0.0 0.0 0.0
 0.0041052  0.0023921  0.0011183 -0.0002412 0.0 0.0 0.0 0.0
 0.0160934  0.0094424  0.0044220 -0.0009585 0.0 0.0 0.0 0.0
 0.0531983  0.0316182  0.0148532 -0.0032049 0.0 0.0 0.0 0.0
 0.1430633  0.0864968  0.0408075 -0.0088599 0.0 0.0 0.0 0.0
 0.2827322  0.1709786  0.0806744 -0.0173934 0.0 0.0 0.0 0.0
 0.3657358  0.2015733  0.0923438 -0.0200688 0.0 0.0 0.0 0.0
 0.2582070  0.0136561 -0.0168496  0.0049419 0.0 0.0 0.0 0.0
 0.0835060 -0.3275531 -0.2127327  0.0474177 0.0 0.0 0.0 0.0
 0.0092446 -0.4734548 -0.3013556  0.0698914 0.0 0.0 0.0 0.0
 0.0003112 -0.2575765  0.0148310 -0.0159215 0.0 0.0 0.0 0.0
-0.0000408 -0.0461155  0.4733463 -0.1280557 0.0 0.0 0.0 0.0
-0.0000406 -0.0010325  0.4812573 -0.1367305 0.0 0.0 0.0 0.0
-0.0000065 -0.0002970  0.1674663  0.0854853 1.0 0.0 0.0 0.0
-0.0000027  0.0000682  0.0118861  0.3824294 0.0 1.0 0.0 0.0
 0.0000004 -0.0000254 -0.0004648  0.5009364 0.0 0.0 1.0 0.0
-0.0000001  0.0000081  0.0001830  0.3027629 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21043648D+04 0.70780996D+03 0.30198706D+03 0.14599852D+03 0.75222735D+02 0.40098169D+02
 0.21386273D+02 0.11306075D+02 0.58143678D+01 0.28586907D+01 0.13370721D+01 0.58590181D+00
 0.22941360D+00
-0.0003035  0.0001126 0.0 0.0 0.0
-0.0026729  0.0009878 0.0 0.0 0.0
-0.0146679  0.0054682 0.0 0.0 0.0
-0.0539980  0.0200881 0.0 0.0 0.0
-0.1439902  0.0540688 0.0 0.0 0.0
-0.2755726  0.0997475 0.0 0.0 0.0
-0.3657967  0.1191401 0.0 0.0 0.0
-0.2940589  0.0279379 0.0 0.0 0.0
-0.1113851 -0.2063479 0.0 0.0 0.0
-0.0129306 -0.3943727 0.0 0.0 0.0
-0.0005676 -0.3782324 1.0 0.0 0.0
-0.0000753 -0.2244554 0.0 1.0 0.0
-0.0000474 -0.0681721 0.0 0.0 1.0
*
End

*
/Fm.ECP.Paulovic.14s10p11d9f.2s1p1d1f.22e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on FmQR(5L)
*
 22.000000         3

* S-type functions
   14    6
  28029498.879999999
   2097440.161000000
    195590.553000000
     27031.114670000
      4962.668823000
       351.539152300
        58.314594580
        14.289648010
         4.041765357
         2.776709424
         0.798504861
         0.370647840
         0.082910487
         0.032499087
      0.000157033940     -0.000043482219 0.0 0.0 0.0 0.0
      0.000713366580     -0.000197531430 0.0 0.0 0.0 0.0
      0.002656234500     -0.000735498880 0.0 0.0 0.0 0.0
      0.007952100000     -0.002202148800 0.0 0.0 0.0 0.0
      0.018307728000     -0.005069163700 0.0 0.0 0.0 0.0
     -0.118719240000      0.032937648000 0.0 0.0 0.0 0.0
      0.399998690000     -0.111969530000 0.0 0.0 0.0 0.0
     -0.911083360000      0.262686040000 0.0 0.0 0.0 0.0
      0.885266380000     -0.280435300000 0.0 0.0 0.0 0.0
      0.540705790000     -0.175732930000 0.0 0.0 0.0 0.0
     -0.941642490000      0.436730930000 1.0 0.0 0.0 0.0
     -0.461921110000      0.340452680000 0.0 1.0 0.0 0.0
     -0.012185729000     -0.705461130000 0.0 0.0 1.0 0.0
      0.002717258000     -0.512644470000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10971.136250000
      2171.426996000
       611.687229100
        82.696222370
        16.483001140
         4.707816759
         3.171421618
         0.758385810
         0.334738714
         0.131201820
      0.002756794100 0.0 0.0 0.0 0.0
      0.013023825000 0.0 0.0 0.0 0.0
      0.035306832000 0.0 0.0 0.0 0.0
     -0.142394720000 0.0 0.0 0.0 0.0
      0.359830740000 0.0 0.0 0.0 0.0
     -0.284079360000 0.0 0.0 0.0 0.0
     -0.391645810000 1.0 0.0 0.0 0.0
      0.635579510000 0.0 1.0 0.0 0.0
      0.470661320000 0.0 0.0 1.0 0.0
      0.067368255000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1247.065305000
       352.320042100
       128.685395300
        25.056556460
        13.471983480
         5.884900665
         3.024757355
         0.624765385
         0.264646714
         0.108554855
         0.041631607
     -0.002373316200 0.0 0.0 0.0 0.0
     -0.013517515000 0.0 0.0 0.0 0.0
     -0.030904118000 0.0 0.0 0.0 0.0
      0.069288680000 0.0 0.0 0.0 0.0
      0.052809936000 0.0 0.0 0.0 0.0
     -0.091962345000 0.0 0.0 0.0 0.0
     -0.163633370000 0.0 0.0 0.0 0.0
      0.242774460000 1.0 0.0 0.0 0.0
      0.395575080000 0.0 1.0 0.0 0.0
      0.392303490000 0.0 0.0 1.0 0.0
      0.218592370000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       389.036244100
       130.473816000
        53.119064320
        23.199585440
         5.094975345
         2.439218475
         1.132254025
         0.491721597
         0.191043155
     -0.005628332100 0.0 0.0 0.0
     -0.037131243000 0.0 0.0 0.0
     -0.113749370000 0.0 0.0 0.0
     -0.157114270000 0.0 0.0 0.0
      0.287350010000 0.0 0.0 0.0
      0.411755710000 0.0 0.0 0.0
      0.337495730000 1.0 0.0 0.0
      0.173376490000 0.0 1.0 0.0
      0.040122756000 0.0 0.0 1.0
*
* Core AIMP:Fm DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    720848.480000000
    184979.597000000
     65406.519900000
     24927.880000000
      9933.286340000
      4019.610930000
      1698.580540000
       797.557448000
       307.444019000
       151.214577000
        30.406909700
        19.089962600
         6.174966870
         3.359496740
         1.665466310
      0.043019317156
      0.031471253066
      0.046541720425
      0.065133663935
      0.083655290233
      0.111013410422
      0.189738859772
      0.238283397115
      0.192870870936
      0.632907220712
      0.985681070655
      0.156534346679
      0.529675601932
      0.223241116859
      0.015687405558
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   10535.136400    2048.893800     537.540460     146.964568      34.971444
 3312387500000.000000000
  308415300000.000000000
   47787046000.000000000
    9746892700.000000000
    2432438300.000000000
     713696780.000000000
     240600310.000000000
      87250784.000000000
      31218713.000000000
      10859057.000000000
       3738734.500000000
       1310900.100000000
        479496.330000000
        184307.360000000
         75208.889000000
         32742.543000000
         15116.574000000
          7258.322300000
          3579.990900000
          1801.883300000
           921.393570000
           472.273220000
           243.666450000
           121.250690000
            70.362717000
            39.112596000
            21.307633000
            12.042620000
             6.445180200
             3.320477000
             1.320877800
             0.766144560
             0.354064660
             0.080534945
             0.030590075
    0.000004000000   -0.000001800000    0.000000900000    0.000000500000   -0.000000200000
    0.000015000000   -0.000006700000    0.000003300000    0.000001700000   -0.000000900000
    0.000041799999   -0.000018500001    0.000009100000    0.000004800000   -0.000002500000
    0.000099299998   -0.000043700002    0.000021600000    0.000011399999   -0.000005900000
    0.000208199997   -0.000091400005    0.000045099999    0.000023799999   -0.000012300000
    0.000393099994   -0.000172200009    0.000084899998    0.000044899998   -0.000023100000
    0.000686899989   -0.000300400016    0.000148099997    0.000078199996   -0.000040300000
    0.001246599981   -0.000544400029    0.000268399994    0.000141699992   -0.000073000000
    0.002392299963   -0.001043900056    0.000514599988    0.000271699985   -0.000139999999
    0.004601599929   -0.002007800109    0.000989899978    0.000522699971   -0.000269399999
    0.008686299866   -0.003795700205    0.001871899958    0.000988599946   -0.000509499998
    0.015724599758   -0.006898400373    0.003404499923    0.001798299902   -0.000926799996
    0.027373499578   -0.012099800655    0.005980199865    0.003159999828   -0.001628799992
    0.045877699293   -0.020545201112    0.010177299770    0.005380799707   -0.002774099987
    0.073116698874   -0.033420301809    0.016620399624    0.008796699520   -0.004536099978
    0.110702498294   -0.052198602825    0.026098499409    0.013830899246   -0.007135899966
    0.160044297534   -0.078896004269    0.039808099099    0.021150698846   -0.010917199948
    0.217565296648   -0.114333206187    0.058332298680    0.031069898306   -0.016056399923
    0.255177496069   -0.144046407795    0.074713098309    0.040000597818   -0.020684199901
    0.222094196578   -0.119861006486    0.060256498636    0.031870598262   -0.016455099921
    0.107677698341    0.054179402932   -0.052910798802   -0.032338898236    0.017409799917
    0.017347399733    0.385772920876   -0.339202592322   -0.208988988602    0.112412699463
    0.000249099996    0.502595827197   -0.543177887706   -0.355706680600    0.195519599066
   -0.000009500000    0.190653610317   -0.035026599207    0.007050499615   -0.009376399955
   -0.000000700000   -0.010150400549    0.735821483345    0.871328652479   -0.569245597281
   -0.000039299999    0.012316800667    0.507120488522    0.716929360900   -0.495107597635
    0.000036999999   -0.007287900394    0.079797198194   -0.614890166465    0.627016497005
   -0.000020200000    0.004175700226   -0.001138099974   -0.886015751678    1.339336193603
    0.000011300000   -0.002078500112    0.001328899970   -0.161801091176   -0.344453598355
   -0.000005700000    0.000910000049   -0.000706399984   -0.001047499943   -1.179502194367
    0.000002800000   -0.000470200025    0.000277299994   -0.001109599939   -0.212421398985
   -0.000001800000    0.000300200016   -0.000174599996    0.000542199970    0.051262599755
    0.000000500000   -0.000079200004    0.000049499999   -0.000088699995   -0.010853699948
   -0.000000100000    0.000015400001   -0.000009200000    0.000018999999    0.001785899991
    0.000000000000   -0.000005800000    0.000003500000   -0.000006900000   -0.000659599997
   26    4
    1659.511280     430.241140     111.499268      23.434068
 490772260.000000000
  68890516.000000000
  13876032.000000000
   3427260.300000000
    982977.920000000
    317157.580000000
    112163.130000000
     42913.817000000
     17553.818000000
      7600.632900000
      3461.385200000
      1651.790100000
       822.888240000
       426.287200000
       227.600850000
       123.230170000
        68.713254000
        38.458084000
        21.147372000
        11.904852000
         6.503299700
         3.498034800
         1.809993200
         0.833139240
         0.375747080
         0.153158320
    0.000010400000   -0.000005600000   -0.000003000000   -0.000001500000
    0.000032700000   -0.000017500000   -0.000009400000   -0.000004700000
    0.000088500000   -0.000047599999   -0.000025400000   -0.000012700000
    0.000218899999   -0.000117799997   -0.000062900000   -0.000031400001
    0.000510499998   -0.000275199994   -0.000147000000   -0.000073500002
    0.001159099996   -0.000626799986   -0.000335000001   -0.000167600004
    0.002620099992   -0.001423499967   -0.000761700002   -0.000381300008
    0.005943399982   -0.003249199925   -0.001741200006   -0.000871700019
    0.013657099959   -0.007532899826   -0.004046500013   -0.002028200045
    0.031551099905   -0.017632299593   -0.009502500030   -0.004763600106
    0.071282899784   -0.040646999062   -0.022024500071   -0.011067800246
    0.148080599552   -0.086970597993   -0.047487900152   -0.023883800531
    0.258184099219   -0.157420196368   -0.086886800278   -0.043912300976
    0.329979599002   -0.202493495328   -0.111706600358   -0.056235901250
    0.256452899224   -0.085375198030   -0.030758600098   -0.013352600297
    0.091571099723    0.260389593992    0.229413900735    0.131301402918
    0.007832399976    0.505307788340    0.460988901476    0.263993505867
    0.001125799997    0.310931292826    0.135027900432    0.048648101081
   -0.000742899998    0.059043798638   -0.527183001688   -0.469456210432
    0.000383499999    0.000972499978   -0.564322101807   -0.549996112222
   -0.000230399999    0.000477599989   -0.143894100461    0.309527306878
    0.000133000000   -0.000356599992   -0.005147200016    0.727444116166
   -0.000056600000    0.000084199998   -0.001168000004    0.283667706304
    0.000023000000   -0.000038199999    0.000335000001    0.022137200492
   -0.000008900000    0.000014400000   -0.000112300000    0.000315400007
    0.000002200000   -0.000003800000    0.000024100000   -0.000027800001
   18    3
     342.127040      77.730754      11.584681
     38263.672000000
      9701.335100000
      3389.779500000
      1396.187100000
       638.807290000
       315.290810000
       164.507270000
        89.573353000
        50.105075000
        28.145921000
        15.965204000
         9.100152500
         5.344279300
         3.537988900
         2.482244500
         1.394071700
         0.692365820
         0.242522700
    0.000149600001    0.000086799995   -0.000040600002
    0.000912100009    0.000530799967   -0.000248600010
    0.004415800042    0.002583899840   -0.001212700049
    0.017996600171    0.010610699341   -0.004986000202
    0.059718500567    0.035687897784   -0.016837800682
    0.154089301462    0.093685994183   -0.044352601797
    0.285994902714    0.173216689244   -0.082040903325
    0.351161003332    0.192272788061   -0.087840803560
    0.247639202350    0.008951999444    0.018731100759
    0.085233400809   -0.314694980459    0.207024608389
    0.009035100086   -0.463081471246    0.295345511968
    0.001289100012   -0.262853383678    0.027095901098
   -0.000978500009   -0.054459896618   -0.327376913266
    0.000874900008   -0.009183699430   -0.245001409928
   -0.000515100005    0.000062699996   -0.346660314048
    0.000101700001   -0.000521899968   -0.203865608261
   -0.000029700000    0.000060599996   -0.039763101611
    0.000003200000   -0.000017899999   -0.001758200071
   13    1
      44.610772
      2106.921100000
       706.644320000
       300.803960000
       145.543160000
        75.301026000
        40.200965000
        21.409036000
        11.324544000
         5.834869100
         2.869282900
         1.330306800
         0.567568840
         0.211863650
   -0.000325300023
   -0.002876600207
   -0.015744301130
   -0.056949804089
   -0.149051910701
   -0.282517920283
   -0.368495626456
   -0.284569820430
   -0.102310507345
   -0.011178500803
   -0.000677400049
   -0.000160400012
   -0.000085700006
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Fm.AE.Paulovic.35s26p18d13f.7s5p4d2f.100e-DK3-AE.                                     *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32712404D+13 0.31798844D+12 0.49413213D+11 0.99675162D+10 0.24668375D+10 0.72165139D+09
 0.24098831D+09 0.86656453D+08 0.30999127D+08 0.10763771D+08 0.37244302D+07 0.13117382D+07
 0.47949633D+06 0.18467867D+06 0.75349616D+05 0.32769343D+05 0.15100839D+05 0.72636746D+04
 0.35803029D+04 0.17956167D+04 0.92130078D+03 0.47223755D+03 0.24366645D+03 0.12125069D+03
 0.70362717D+02 0.39112596D+02 0.21307598D+02 0.12042620D+02 0.64451697D+01 0.33205631D+01
 0.13208775D+01 0.76614456D+00 0.35405990D+00 0.80525981D-01 0.30567888D-01
 0.0000039 -0.0000018  0.0000009  0.0000005 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000146 -0.0000065  0.0000032  0.0000017 -0.0000009  0.0000004  0.0000001 0.0 0.0 0.0 0.0
 0.0000411 -0.0000181  0.0000090  0.0000047 -0.0000024  0.0000011  0.0000003 0.0 0.0 0.0 0.0
 0.0000987 -0.0000435  0.0000215  0.0000113 -0.0000058  0.0000026  0.0000007 0.0 0.0 0.0 0.0
 0.0002071 -0.0000909  0.0000449  0.0000237 -0.0000122  0.0000055  0.0000015 0.0 0.0 0.0 0.0
 0.0003919 -0.0001717  0.0000847  0.0000447 -0.0000231  0.0000104  0.0000029 0.0 0.0 0.0 0.0
 0.0006947 -0.0003038  0.0001498  0.0000791 -0.0000408  0.0000183  0.0000051 0.0 0.0 0.0 0.0
 0.0012542 -0.0005477  0.0002700  0.0001426 -0.0000735  0.0000330  0.0000092 0.0 0.0 0.0 0.0
 0.0024062 -0.0010499  0.0005176  0.0002733 -0.0001409  0.0000633  0.0000176 0.0 0.0 0.0 0.0
 0.0046221 -0.0020168  0.0009943  0.0005251 -0.0002707  0.0001216  0.0000338 0.0 0.0 0.0 0.0
 0.0086472 -0.0037787  0.0018635  0.0009842 -0.0005075  0.0002279  0.0000633 0.0 0.0 0.0 0.0
 0.0157100 -0.0068920  0.0034013  0.0017967 -0.0009265  0.0004161  0.0001155 0.0 0.0 0.0 0.0
 0.0273588 -0.0120931  0.0059768  0.0031584 -0.0016288  0.0007316  0.0002031 0.0 0.0 0.0 0.0
 0.0457392 -0.0204830  0.0101464  0.0053647 -0.0027673  0.0012430  0.0003451 0.0 0.0 0.0 0.0
 0.0731247 -0.0334204  0.0166201  0.0087968 -0.0045386  0.0020385  0.0005659 0.0 0.0 0.0 0.0
 0.1108764 -0.0522824  0.0261408  0.0138540 -0.0071516  0.0032135  0.0008920 0.0 0.0 0.0 0.0
 0.1602530 -0.0789944  0.0398567  0.0211773 -0.0109368  0.0049125  0.0013640 0.0 0.0 0.0 0.0
 0.2167582 -0.1139249  0.0581270  0.0309623 -0.0160091  0.0071991  0.0019977 0.0 0.0 0.0 0.0
 0.2565989 -0.1447820  0.0750824  0.0401978 -0.0207976  0.0093400  0.0025962 0.0 0.0 0.0 0.0
 0.2220266 -0.1198577  0.0602581  0.0318731 -0.0164638  0.0074177  0.0020504 0.0 0.0 0.0 0.0
 0.1065779  0.0548510 -0.0532654 -0.0325310  0.0175155 -0.0079980 -0.0022011 0.0 0.0 0.0 0.0
 0.0178850  0.3854188 -0.3390099 -0.2088937  0.1124303 -0.0509678 -0.0142293 0.0 0.0 0.0 0.0
-0.0001242  0.5028062 -0.5432789 -0.3557756  0.1956448 -0.0895638 -0.0247948 0.0 0.0 0.0 0.0
 0.0003287  0.1904375 -0.0349379  0.0070729 -0.0093457  0.0055590  0.0011853 0.0 0.0 0.0 0.0
-0.0003138 -0.0099250  0.7357122  0.8713696 -0.5696941  0.2706633  0.0767419 0.0 0.0 0.0 0.0
 0.0001880  0.0121427  0.5072222  0.7170610 -0.4952828  0.2446771  0.0672033 0.0 0.0 0.0 0.0
-0.0001226 -0.0071609  0.0797254 -0.6152775  0.6273196 -0.3414375 -0.0944651 0.0 0.0 0.0 0.0
 0.0000818  0.0040916 -0.0010844 -0.8856917  1.3404287 -0.8117642 -0.2413661 0.0 0.0 0.0 0.0
-0.0000411 -0.0020341  0.0012969 -0.1619060 -0.3444507  0.3480783  0.1149296 0.0 0.0 0.0 0.0
 0.0000172  0.0008906 -0.0006945 -0.0010287 -1.1823415  1.2037289  0.3753061 0.0 0.0 0.0 0.0
-0.0000092 -0.0004598  0.0002703 -0.0011054 -0.2100532 -0.0152338  0.0134580 0.0 0.0 0.0 0.0
 0.0000060  0.0002934 -0.0001695  0.0005523  0.0510702 -0.9642960 -0.4807001 1.0 0.0 0.0 0.0
-0.0000015 -0.0000776  0.0000482 -0.0000913 -0.0106643 -0.4074333 -0.2954079 0.0 1.0 0.0 0.0
 0.0000003  0.0000151 -0.0000085  0.0000192  0.0017626 -0.0088027  0.7531218 0.0 0.0 1.0 0.0
-0.0000001 -0.0000056  0.0000034 -0.0000070 -0.0006554  0.0017167  0.4651936 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50269962D+09 0.71033070D+08 0.14377342D+08 0.35473715D+07 0.10102839D+07 0.32053198D+06
 0.11253716D+06 0.42974799D+05 0.17532737D+05 0.75895057D+04 0.34614341D+04 0.16538088D+04
 0.82448558D+03 0.42657567D+03 0.22698742D+03 0.12326412D+03 0.68916818D+02 0.38616348D+02
 0.21004729D+02 0.11780211D+02 0.64372454D+01 0.34651796D+01 0.17985397D+01 0.84831807D+00
 0.39024535D+00 0.16274191D+00
 0.0000102 -0.0000055 -0.0000029 -0.0000015  0.0000006 0.0 0.0 0.0 0.0
 0.0000318 -0.0000171 -0.0000091 -0.0000046  0.0000018 0.0 0.0 0.0 0.0
 0.0000862 -0.0000463 -0.0000247 -0.0000124  0.0000049 0.0 0.0 0.0 0.0
 0.0002138 -0.0001150 -0.0000614 -0.0000307  0.0000121 0.0 0.0 0.0 0.0
 0.0005057 -0.0002726 -0.0001456 -0.0000729  0.0000287 0.0 0.0 0.0 0.0
 0.0011638 -0.0006294 -0.0003364 -0.0001685  0.0000663 0.0 0.0 0.0 0.0
 0.0026184 -0.0014225 -0.0007612 -0.0003815  0.0001502 0.0 0.0 0.0 0.0
 0.0059516 -0.0032535 -0.0017437 -0.0008739  0.0003439 0.0 0.0 0.0 0.0
 0.0137029 -0.0075588 -0.0040603 -0.0020373  0.0008023 0.0 0.0 0.0 0.0
 0.0315602 -0.0176365 -0.0095061 -0.0047706  0.0018774 0.0 0.0 0.0 0.0
 0.0711421 -0.0405709 -0.0219814 -0.0110584  0.0043587 0.0 0.0 0.0 0.0
 0.1476944 -0.0867254 -0.0473631 -0.0238468  0.0093886 0.0 0.0 0.0 0.0
 0.2577594 -0.1571863 -0.0867371 -0.0438851  0.0173314 0.0 0.0 0.0 0.0
 0.3314451 -0.2032542 -0.1121829 -0.0565373  0.0222260 0.0 0.0 0.0 0.0
 0.2567911 -0.0852925 -0.0304291 -0.0131807  0.0051262 0.0 0.0 0.0 0.0
 0.0901145  0.2596601  0.2280049  0.1306286 -0.0533416 0.0 0.0 0.0 0.0
 0.0086970  0.5025528  0.4601237  0.2638743 -0.1064017 0.0 0.0 0.0 0.0
 0.0005893  0.3143688  0.1358224  0.0490875 -0.0185816 0.0 0.0 0.0 0.0
-0.0003604  0.0598732 -0.5371054 -0.4803917  0.2192225 0.0 0.0 0.0 0.0
 0.0001296  0.0001356 -0.5591740 -0.5433651  0.2433869 0.0 0.0 0.0 0.0
-0.0000803  0.0007780 -0.1379797  0.3256306 -0.2183806 0.0 0.0 0.0 0.0
 0.0000531 -0.0005034 -0.0050848  0.7249336 -0.5024464 0.0 0.0 0.0 0.0
-0.0000208  0.0001544 -0.0010027  0.2750320 -0.0676451 1.0 0.0 0.0 0.0
 0.0000090 -0.0000671  0.0002999  0.0206810  0.5597214 0.0 1.0 0.0 0.0
-0.0000035  0.0000256 -0.0000947  0.0005393  0.5319425 0.0 0.0 1.0 0.0
 0.0000009 -0.0000065  0.0000196 -0.0001208  0.1174467 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.37719095D+05 0.98101892D+04 0.34370176D+04 0.14096203D+04 0.64217542D+03 0.31643537D+03
 0.16491415D+03 0.89731099D+02 0.50476185D+02 0.28953400D+02 0.16503855D+02 0.92215561D+01
 0.49122292D+01 0.25284269D+01 0.12234744D+01 0.47070256D+00 0.16824094D+00 0.54298705D-01
 0.0001499  0.0000870  0.0000409 -0.0000086 0.0 0.0 0.0 0.0
 0.0008866  0.0005158  0.0002424 -0.0000513 0.0 0.0 0.0 0.0
 0.0043220  0.0025300  0.0011903 -0.0002512 0.0 0.0 0.0 0.0
 0.0178112  0.0104960  0.0049483 -0.0010487 0.0 0.0 0.0 0.0
 0.0594442  0.0355386  0.0168069 -0.0035481 0.0 0.0 0.0 0.0
 0.1535790  0.0933137  0.0443297 -0.0094140 0.0 0.0 0.0 0.0
 0.2860626  0.1734739  0.0823224 -0.0173495 0.0 0.0 0.0 0.0
 0.3505998  0.1915494  0.0879878 -0.0187277 0.0 0.0 0.0 0.0
 0.2444695  0.0142516 -0.0159034  0.0046848 0.0 0.0 0.0 0.0
 0.0873398 -0.2923690 -0.1918263  0.0416814 0.0 0.0 0.0 0.0
 0.0121261 -0.4691391 -0.3055889  0.0695521 0.0 0.0 0.0 0.0
 0.0003893 -0.2887000 -0.0300939 -0.0042854 0.0 0.0 0.0 0.0
-0.0000263 -0.0567137  0.4569330 -0.1217519 0.0 0.0 0.0 0.0
-0.0000514 -0.0015178  0.4986797 -0.1390878 0.0 0.0 0.0 0.0
-0.0000079 -0.0003629  0.1860405  0.0646233 1.0 0.0 0.0 0.0
-0.0000034  0.0000724  0.0154361  0.3538932 0.0 1.0 0.0 0.0
 0.0000004 -0.0000275 -0.0007577  0.5006976 0.0 0.0 1.0 0.0
-0.0000001  0.0000085  0.0002813  0.3472717 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.20727536D+04 0.70773892D+03 0.30329971D+03 0.14653409D+03 0.75392367D+02 0.40073348D+02
 0.21330682D+02 0.11263568D+02 0.57977874D+01 0.28805600D+01 0.13677878D+01 0.60524818D+00
 0.23701940D+00
-0.0003324  0.0001254 0.0 0.0 0.0
-0.0028272  0.0010617 0.0 0.0 0.0
-0.0154429  0.0058547 0.0 0.0 0.0
-0.0565912  0.0213989 0.0 0.0 0.0
-0.1502804  0.0573787 0.0 0.0 0.0
-0.2840251  0.1040854 0.0 0.0 0.0
-0.3688323  0.1205611 0.0 0.0 0.0
-0.2841644  0.0155635 0.0 0.0 0.0
-0.1005443 -0.2238851 0.0 0.0 0.0
-0.0108494 -0.3920626 0.0 0.0 0.0
-0.0006522 -0.3655243 1.0 0.0 0.0
-0.0000839 -0.2176625 0.0 1.0 0.0
-0.0000620 -0.0657292 0.0 0.0 1.0
*
End

*
/Md.ECP.Paulovic.14s10p11d9f.2s1p1d1f.23e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on MdQR(4K)
*
 23.000000         3

* S-type functions
   14    6
  25546246.000000000
   2088273.812000000
    229274.166900000
     32932.110630000
      5734.902150000
       358.418260300
        60.836406880
        14.765725870
         4.123318109
         2.905141989
         0.831956029
         0.390314289
         0.088696026
         0.033362294
      0.000178569660     -0.000049181783 0.0 0.0 0.0 0.0
      0.000724381810     -0.000199512590 0.0 0.0 0.0 0.0
      0.002462964700     -0.000678345880 0.0 0.0 0.0 0.0
      0.007405245900     -0.002039766500 0.0 0.0 0.0 0.0
      0.018768467000     -0.005169079400 0.0 0.0 0.0 0.0
     -0.120210220000      0.033176056000 0.0 0.0 0.0 0.0
      0.401212960000     -0.111718210000 0.0 0.0 0.0 0.0
     -0.913809670000      0.262239170000 0.0 0.0 0.0 0.0
      0.945571750000     -0.301068740000 0.0 0.0 0.0 0.0
      0.476102050000     -0.149090220000 0.0 0.0 0.0 0.0
     -0.920605640000      0.415403400000 1.0 0.0 0.0 0.0
     -0.474473780000      0.359310170000 0.0 1.0 0.0 0.0
     -0.013225971000     -0.689206000000 0.0 0.0 1.0 0.0
      0.002691884400     -0.535896870000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10974.644200000
      2186.707358000
       623.049820800
        85.018543150
        17.050748810
         4.818420895
         3.295403254
         0.795952768
         0.360207566
         0.142514766
      0.002877089900 0.0 0.0 0.0 0.0
      0.013311216000 0.0 0.0 0.0 0.0
      0.035182032000 0.0 0.0 0.0 0.0
     -0.143272150000 0.0 0.0 0.0 0.0
      0.359849430000 0.0 0.0 0.0 0.0
     -0.288990000000 0.0 0.0 0.0 0.0
     -0.384161630000 1.0 0.0 0.0 0.0
      0.608110620000 0.0 1.0 0.0 0.0
      0.484040660000 0.0 0.0 1.0 0.0
      0.081489443000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1284.333274000
       360.029638000
       131.574301500
        25.643961060
        13.766997010
         5.939629688
         3.094704510
         0.646853501
         0.270219123
         0.105026992
         0.038479443
     -0.002336580200 0.0 0.0 0.0 0.0
     -0.013392270000 0.0 0.0 0.0 0.0
     -0.030281628000 0.0 0.0 0.0 0.0
      0.069551375000 0.0 0.0 0.0 0.0
      0.049631184000 0.0 0.0 0.0 0.0
     -0.095235796000 0.0 0.0 0.0 0.0
     -0.153734540000 0.0 0.0 0.0 0.0
      0.236895800000 1.0 0.0 0.0 0.0
      0.401535050000 0.0 1.0 0.0 0.0
      0.413319880000 0.0 0.0 1.0 0.0
      0.206349470000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       401.673232300
       134.889676700
        55.024340820
        24.066613370
         5.312046185
         2.544455763
         1.192700259
         0.533347333
         0.214943622
     -0.005673025900 0.0 0.0 0.0
     -0.037389109000 0.0 0.0 0.0
     -0.114986570000 0.0 0.0 0.0
     -0.159870270000 0.0 0.0 0.0
      0.290901140000 0.0 0.0 0.0
      0.411581850000 0.0 0.0 0.0
      0.328617770000 1.0 0.0 0.0
      0.172027060000 0.0 1.0 0.0
      0.045536942000 0.0 0.0 1.0
*
* Core AIMP:Md DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    725948.841000000
    187317.710000000
     66679.219100000
     25635.549900000
     10288.657500000
      4165.352440000
      1755.846450000
       822.822133000
       317.392950000
       155.719518000
        31.267511700
        19.624311400
         6.403675420
         3.490449530
         1.730857010
      0.041772383669
      0.030296159022
      0.044433302201
      0.061683864122
      0.079371732377
      0.106192270672
      0.181461518182
      0.228104510868
      0.184024894090
      0.606389893257
      0.952068257685
      0.139319701553
      0.507363091660
      0.213755192847
      0.015067575621
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   10806.102200    2109.940800     554.933480     152.340384      36.359112
 3319721100000.000000000
  308549290000.000000000
   45944571000.000000000
    9310087500.000000000
    2314096600.000000000
     685870390.000000000
     237284540.000000000
      89612632.000000000
      32313443.000000000
      11045240.000000000
       3742511.500000000
       1304739.300000000
        476641.200000000
        183302.980000000
         74811.442000000
         32628.115000000
         15097.301000000
          7255.642100000
          3584.313200000
          1809.242600000
           922.416750000
           472.977620000
           244.243730000
           121.107380000
            70.362870000
            39.040334000
            21.309149000
            12.041802000
             6.445298900
             3.323982800
             1.320876000
             0.766246880
             0.354053270
             0.080536328
             0.031438162
    0.000004400000   -0.000002000000    0.000001000000    0.000000500000   -0.000000300000
    0.000016800001   -0.000007500000    0.000003700000    0.000002000000   -0.000001000000
    0.000047400002   -0.000021099999    0.000010400000    0.000005500000   -0.000002900000
    0.000111300005   -0.000049299997    0.000024399999    0.000012900000   -0.000006700000
    0.000231700010   -0.000102399993    0.000050599998    0.000026800000   -0.000013800000
    0.000426900018   -0.000188199988    0.000092899997    0.000049200000   -0.000025400000
    0.000713900030   -0.000314099979    0.000155099995    0.000082099999   -0.000042499999
    0.001270200053   -0.000558199964    0.000275499991    0.000145799999   -0.000075399999
    0.002514500104   -0.001104099928    0.000544899982    0.000288299997   -0.000149199998
    0.004909900204   -0.002155799859    0.001063899965    0.000562899994   -0.000291299996
    0.009234500384   -0.004060499735    0.002004599935    0.001060699989   -0.000548799993
    0.016579000689   -0.007318999522    0.003615899883    0.001913499981   -0.000990199987
    0.028676301191   -0.012756399167    0.006311599795    0.003341399967   -0.001729299977
    0.047790301985   -0.021541098593    0.010682399653    0.005658499944   -0.002929099961
    0.075726303145   -0.034845697724    0.017350299436    0.009200599908   -0.004763599936
    0.113541704716   -0.053906596479    0.026983999123    0.014327499857   -0.007422499901
    0.162968306769   -0.080887394717    0.040870098672    0.021757599783   -0.011275399849
    0.219635309122   -0.116120992416    0.059298398073    0.031642999684   -0.016421699780
    0.253449410527   -0.143310590640    0.074378797584    0.039891399602   -0.020703999723
    0.217412609030   -0.114231192539    0.056693698158    0.029912199702   -0.015504699793
    0.103432904296    0.067786295573   -0.062908297956   -0.038295699618    0.020703199723
    0.015062300626    0.398639573963   -0.354297488489   -0.219329897812    0.118493498415
    0.000679200028    0.492924367805   -0.534685882629   -0.351685996491    0.194562097397
   -0.000461000019    0.177566688402    0.009987699676    0.047500999526   -0.034721899536
    0.000418200017   -0.012096899210    0.747823875704    0.902009891000   -0.593491692061
   -0.000341600014    0.012183499204    0.479152984433    0.665169093363   -0.464319393789
    0.000250800010   -0.007298299523    0.066436797842   -0.687269893143    0.720896890357
   -0.000156600007    0.004189899726    0.000153099995   -0.844346091575    1.306204982527
    0.000081100003   -0.002084199864    0.000508399983   -0.138232098621   -0.469559093719
   -0.000036300002    0.000912199940   -0.000363299988   -0.000815499992   -1.129217584895
    0.000018900001   -0.000470999969    0.000108399996   -0.000877999991   -0.179478797599
   -0.000012100001    0.000301099980   -0.000065999998    0.000420399996    0.042374399433
    0.000003200000   -0.000079599995    0.000020599999   -0.000062999999   -0.008785699882
   -0.000000600000    0.000015799999   -0.000003700000    0.000014100000    0.001447099981
    0.000000200000   -0.000006100000    0.000001400000   -0.000005200000   -0.000544899993
   26    4
    1701.078460     442.548100     115.229254      24.267544
 487485600.000000000
  68680830.000000000
  13811438.000000000
   3416016.300000000
    981883.990000000
    316544.420000000
    112123.770000000
     42903.566000000
     17559.440000000
      7600.777800000
      3461.493100000
      1651.710200000
       822.570950000
       426.459010000
       227.716220000
       123.101400000
        68.712400000
        38.504653000
        21.160114000
        11.922490000
         6.513423400
         3.497926900
         1.808252200
         0.832980310
         0.375065130
         0.152458730
    0.000011100000   -0.000005900000   -0.000003200000   -0.000001600000
    0.000034700002   -0.000018700000   -0.000009999999   -0.000005000000
    0.000094100004   -0.000050699999   -0.000027099998   -0.000013600000
    0.000231300010   -0.000124699998   -0.000066699995   -0.000033500000
    0.000538900024   -0.000291099996   -0.000155899989   -0.000078300000
    0.001221100055   -0.000661699990   -0.000354599975   -0.000178200000
    0.002749300124   -0.001496799977   -0.000802999944   -0.000403800000
    0.006224300280   -0.003410499948   -0.001832599872   -0.000921500000
    0.014248400640   -0.007877599880   -0.004243099704   -0.002136200001
    0.032833801475   -0.018398299721   -0.009943299307   -0.005006500002
    0.073748903313   -0.042170999360   -0.022915798402   -0.011567800004
    0.152331106843   -0.089750298637   -0.049152396573   -0.024830400009
    0.262705111802   -0.160588197561   -0.088892793802   -0.045135700017
    0.329911114821   -0.201901896934   -0.111465192228   -0.056308000021
    0.250790211267   -0.074713498865   -0.023168598385   -0.009316300004
    0.085891303859    0.278450995772    0.245549582879    0.141409600053
    0.006663500299    0.504239092343    0.461594367815    0.265221000100
    0.001054400047    0.296821495493    0.106047092606    0.029263300011
   -0.000703100032    0.053171299193   -0.552240761495   -0.499814700188
    0.000357100016    0.000667399990   -0.544832062012   -0.526442300198
   -0.000209600009    0.000389899994   -0.129315290984    0.362364500136
    0.000120900005   -0.000314799995   -0.004087699715    0.716681100269
   -0.000051300002    0.000070499999   -0.001062699926    0.257281700097
    0.000020800001   -0.000032000000    0.000306399979    0.018754800007
   -0.000008000000    0.000012000000   -0.000103399993    0.000335000000
    0.000002000000   -0.000003200000    0.000021899998   -0.000041400000
   18    3
     351.726420      80.434030      12.032015
     38539.209000000
      9643.175500000
      3322.818300000
      1364.511300000
       628.034950000
       312.704240000
       163.782200000
        88.714393000
        49.013840000
        27.359405000
        15.604610000
         9.041682500
         5.471879100
         3.711939700
         2.444130200
         1.396765300
         0.737192470
         0.308596830
    0.000157199999    0.000091600003   -0.000043199999
    0.000984899993    0.000575500019   -0.000271199997
    0.004851199964    0.002851700095   -0.001346899984
    0.019541699855    0.011573100385   -0.005470799935
    0.063120799533    0.037923201261   -0.018012499787
    0.158954998823    0.097053703228   -0.046216199452
    0.292762297832    0.177900505917   -0.084811998995
    0.356680697359    0.192210206393   -0.087489798963
    0.239239298229   -0.015579600518    0.033675899601
    0.073202599458   -0.345345911486    0.228120497297
    0.007227499946   -0.449866214962    0.285648796615
    0.000616699995   -0.235295007826   -0.006322499925
   -0.000283299998   -0.049100401633   -0.299951096446
    0.000126199999   -0.008953600298   -0.288148996585
   -0.000094599999   -0.000590900020   -0.343130495934
    0.000003800000   -0.000347600012   -0.178076297890
   -0.000008500000    0.000029500001   -0.038195899547
   -0.000000500000   -0.000016600001   -0.002805499967
   13    1
      46.586706
      2109.103800000
       708.044950000
       300.167930000
       145.411380000
        75.355015000
        40.217323000
        21.415664000
        11.331146000
         5.843332900
         2.870490400
         1.329192600
         0.568353060
         0.213303510
   -0.000345499995
   -0.003074399958
   -0.016812899771
   -0.059813399185
   -0.155003597888
   -0.289585296053
   -0.369992694957
   -0.275058496251
   -0.093475898726
   -0.009595999869
   -0.000721899990
   -0.000222799997
   -0.000101199999
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Md.AE.Paulovic.35s26p18d13f.7s5p4d2f.101e-DK3-AE.                                     *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32917221D+13 0.30703300D+12 0.47335075D+11 0.95003180D+10 0.23723011D+10 0.69809748D+09
 0.23692564D+09 0.88088781D+08 0.31753670D+08 0.10955725D+08 0.37407172D+07 0.13078112D+07
 0.47719135D+06 0.18363421D+06 0.74948303D+05 0.32639666D+05 0.15088909D+05 0.72691230D+04
 0.35857010D+04 0.18008959D+04 0.92241675D+03 0.47279578D+03 0.24424262D+03 0.12110720D+03
 0.70363353D+02 0.39040334D+02 0.21309149D+02 0.12041802D+02 0.64453005D+01 0.33239890D+01
 0.13208815D+01 0.76624458D+00 0.35406889D+00 0.80536550D-01 0.31404444D-01
 0.0000044 -0.0000020  0.0000010  0.0000005 -0.0000003  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000166 -0.0000074  0.0000037  0.0000019 -0.0000010  0.0000005  0.0000001 0.0 0.0 0.0 0.0
 0.0000463 -0.0000206  0.0000102  0.0000054 -0.0000028  0.0000013  0.0000003 0.0 0.0 0.0 0.0
 0.0001104 -0.0000489  0.0000242  0.0000128 -0.0000066  0.0000030  0.0000008 0.0 0.0 0.0 0.0
 0.0002274 -0.0001005  0.0000496  0.0000263 -0.0000136  0.0000061  0.0000017 0.0 0.0 0.0 0.0
 0.0004285 -0.0001889  0.0000933  0.0000493 -0.0000256  0.0000115  0.0000032 0.0 0.0 0.0 0.0
 0.0007287 -0.0003207  0.0001583  0.0000838 -0.0000434  0.0000195  0.0000054 0.0 0.0 0.0 0.0
 0.0012951 -0.0005692  0.0002809  0.0001486 -0.0000769  0.0000346  0.0000095 0.0 0.0 0.0 0.0
 0.0025241 -0.0011083  0.0005470  0.0002894 -0.0001498  0.0000674  0.0000186 0.0 0.0 0.0 0.0
 0.0048908 -0.0021474  0.0010598  0.0005607 -0.0002903  0.0001305  0.0000360 0.0 0.0 0.0 0.0
 0.0091884 -0.0040402  0.0019946  0.0010554 -0.0005464  0.0002457  0.0000677 0.0 0.0 0.0 0.0
 0.0165587 -0.0073099  0.0036114  0.0019112 -0.0009896  0.0004450  0.0001227 0.0 0.0 0.0 0.0
 0.0286755 -0.0127557  0.0063112  0.0033413 -0.0017301  0.0007781  0.0002145 0.0 0.0 0.0 0.0
 0.0476856 -0.0214938  0.0106590  0.0056464 -0.0029244  0.0013153  0.0003625 0.0 0.0 0.0 0.0
 0.0757275 -0.0348423  0.0173481  0.0091997 -0.0047656  0.0021434  0.0005909 0.0 0.0 0.0 0.0
 0.1137778 -0.0540229  0.0270432  0.0143597 -0.0074430  0.0033484  0.0009228 0.0 0.0 0.0 0.0
 0.1628123 -0.0807984  0.0408228  0.0217330 -0.0112685  0.0050689  0.0013982 0.0 0.0 0.0 0.0
 0.2188165 -0.1157050  0.0590912  0.0315347 -0.0163737  0.0073703  0.0020295 0.0 0.0 0.0 0.0
 0.2553493 -0.1442710  0.0748535  0.0401437 -0.0208462  0.0093794  0.0025923 0.0 0.0 0.0 0.0
 0.2174565 -0.1143425  0.0567681  0.0299559 -0.0155337  0.0069938  0.0019109 0.0 0.0 0.0 0.0
 0.1018800  0.0688140 -0.0634809 -0.0386108  0.0208745 -0.0095030 -0.0025829 0.0 0.0 0.0 0.0
 0.0158995  0.3982073 -0.3541050 -0.2192448  0.1185224 -0.0538877 -0.0149772 0.0 0.0 0.0 0.0
 0.0000785  0.4930050 -0.5346134 -0.3516367  0.1946117 -0.0891107 -0.0244093 0.0 0.0 0.0 0.0
 0.0000894  0.1774062  0.0099592  0.0474325 -0.0346340  0.0170723  0.0041246 0.0 0.0 0.0 0.0
-0.0000953 -0.0119112  0.7478170  0.9021461 -0.5940442  0.2839629  0.0804641 0.0 0.0 0.0 0.0
 0.0000329  0.0120334  0.4791873  0.6652183 -0.4643414  0.2291437  0.0614241 0.0 0.0 0.0 0.0
-0.0000138 -0.0071860  0.0664161 -0.6875923  0.7210556 -0.3934620 -0.1068893 0.0 0.0 0.0 0.0
 0.0000122  0.0041149  0.0001702 -0.8440564  1.3075657 -0.8033082 -0.2403286 0.0 0.0 0.0 0.0
-0.0000055 -0.0020446  0.0004959 -0.1383302 -0.4700670  0.4617890  0.1526876 0.0 0.0 0.0 0.0
 0.0000017  0.0008946 -0.0003599 -0.0007943 -1.1317067  1.1573680  0.3536855 0.0 0.0 0.0 0.0
-0.0000010 -0.0004619  0.0001069 -0.0008720 -0.1770318 -0.1099773 -0.0090985 0.0 0.0 0.0 0.0
 0.0000007  0.0002951 -0.0000641  0.0004290  0.0420462 -0.9339902 -0.4923219 1.0 0.0 0.0 0.0
-0.0000002 -0.0000781  0.0000199 -0.0000648 -0.0085957 -0.3748092 -0.2563434 0.0 1.0 0.0 0.0
 0.0000000  0.0000155 -0.0000036  0.0000149  0.0014201 -0.0057312  0.7640069 0.0 0.0 1.0 0.0
 0.0000000 -0.0000060  0.0000014 -0.0000040 -0.0005324  0.0008326  0.4447396 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.49244770D+09 0.69077975D+08 0.13914203D+08 0.34403452D+07 0.98511268D+06 0.31715375D+06
 0.11216254D+06 0.42919584D+05 0.17552540D+05 0.76003792D+04 0.34614552D+04 0.16518078D+04
 0.82297839D+03 0.42625674D+03 0.22758476D+03 0.12322189D+03 0.68723558D+02 0.38447750D+02
 0.21141811D+02 0.11908036D+02 0.65050590D+01 0.34894081D+01 0.18006687D+01 0.83727531D+00
 0.37698652D+00 0.15388288D+00
 0.0000110 -0.0000059 -0.0000032 -0.0000016  0.0000006 0.0 0.0 0.0 0.0
 0.0000346 -0.0000186 -0.0000100 -0.0000050  0.0000020 0.0 0.0 0.0 0.0
 0.0000935 -0.0000503 -0.0000269 -0.0000135  0.0000053 0.0 0.0 0.0 0.0
 0.0002307 -0.0001243 -0.0000665 -0.0000335  0.0000131 0.0 0.0 0.0 0.0
 0.0005386 -0.0002910 -0.0001558 -0.0000784  0.0000308 0.0 0.0 0.0 0.0
 0.0012209 -0.0006617 -0.0003546 -0.0001784  0.0000700 0.0 0.0 0.0 0.0
 0.0027500 -0.0014972 -0.0008033 -0.0004043  0.0001588 0.0 0.0 0.0 0.0
 0.0062244 -0.0034104 -0.0018326 -0.0009225  0.0003622 0.0 0.0 0.0 0.0
 0.0142610 -0.0078849 -0.0042474 -0.0021407  0.0008411 0.0 0.0 0.0 0.0
 0.0328116 -0.0183848 -0.0099360 -0.0050083  0.0019665 0.0 0.0 0.0 0.0
 0.0737836 -0.0421942 -0.0229303 -0.0115880  0.0045568 0.0 0.0 0.0 0.0
 0.1521851 -0.0896539 -0.0490985 -0.0248298  0.0097536 0.0 0.0 0.0 0.0
 0.2627217 -0.1606228 -0.0889234 -0.0452022  0.0178104 0.0 0.0 0.0 0.0
 0.3304874 -0.2021606 -0.1115842 -0.0564250  0.0221265 0.0 0.0 0.0 0.0
 0.2502241 -0.0745646 -0.0231557 -0.0093333  0.0035739 0.0 0.0 0.0 0.0
 0.0859334  0.2777722  0.2450448  0.1412932 -0.0575626 0.0 0.0 0.0 0.0
 0.0067128  0.5056072  0.4626244  0.2660779 -0.1070388 0.0 0.0 0.0 0.0
 0.0010752  0.2966397  0.1054245  0.0288181 -0.0100140 0.0 0.0 0.0 0.0
-0.0007345  0.0526449 -0.5534362 -0.5014757  0.2290363 0.0 0.0 0.0 0.0
 0.0003824  0.0007895 -0.5440688 -0.5263112  0.2340386 0.0 0.0 0.0 0.0
-0.0002256  0.0003273 -0.1287529  0.3653743 -0.2423361 0.0 0.0 0.0 0.0
 0.0001301 -0.0002871 -0.0040553  0.7199282 -0.4995521 0.0 0.0 0.0 0.0
-0.0000562  0.0000606 -0.0010180  0.2530661 -0.0318779 1.0 0.0 0.0 0.0
 0.0000231 -0.0000277  0.0003093  0.0170697  0.5912113 0.0 1.0 0.0 0.0
-0.0000088  0.0000105 -0.0001010  0.0004225  0.5077949 0.0 0.0 1.0 0.0
 0.0000022 -0.0000028  0.0000217 -0.0001146  0.0937455 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.37290096D+05 0.96848315D+04 0.34092077D+04 0.14052059D+04 0.64047608D+03 0.31249184D+03
 0.16032262D+03 0.85855596D+02 0.47606048D+02 0.27960621D+02 0.16974633D+02 0.99647941D+01
 0.54102018D+01 0.27960257D+01 0.13372370D+01 0.49613532D+00 0.17069789D+00 0.52854833D-01
 0.0001617 -0.0000943  0.0000446 -0.0000092 0.0 0.0 0.0 0.0
 0.0009521 -0.0005560  0.0002627 -0.0000543 0.0 0.0 0.0 0.0
 0.0045846 -0.0026965  0.0012772 -0.0002626 0.0 0.0 0.0 0.0
 0.0186483 -0.0110323  0.0052298 -0.0010814 0.0 0.0 0.0 0.0
 0.0625277 -0.0375812  0.0178968 -0.0036820 0.0 0.0 0.0 0.0
 0.1644528 -0.1003116  0.0479108 -0.0099271 0.0 0.0 0.0 0.0
 0.3055808 -0.1858469  0.0888137 -0.0182299 0.0 0.0 0.0 0.0
 0.3589597 -0.1887794  0.0854865 -0.0177785 0.0 0.0 0.0 0.0
 0.2232962  0.0275378 -0.0405104  0.0101612 0.0 0.0 0.0 0.0
 0.0658921  0.2965951 -0.1945965  0.0403362 0.0 0.0 0.0 0.0
 0.0120877  0.4179377 -0.2759863  0.0630511 0.0 0.0 0.0 0.0
-0.0001837  0.2960530 -0.0602974  0.0016534 0.0 0.0 0.0 0.0
 0.0002972  0.0708635  0.4187721 -0.1072300 0.0 0.0 0.0 0.0
-0.0001969  0.0022710  0.5255144 -0.1463999 0.0 0.0 0.0 0.0
 0.0000373  0.0005344  0.2132842  0.0501254 1.0 0.0 0.0 0.0
-0.0000183 -0.0001057  0.0177645  0.3508428 0.0 1.0 0.0 0.0
 0.0000056  0.0000409 -0.0010256  0.5132530 0.0 0.0 1.0 0.0
-0.0000016 -0.0000124  0.0003512  0.3543599 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.20942251D+04 0.70674562D+03 0.30226969D+03 0.14611926D+03 0.75135078D+02 0.40016684D+02
 0.21379194D+02 0.11317389D+02 0.58024969D+01 0.28607483D+01 0.13462949D+01 0.59407939D+00
 0.23517659D+00
-0.0003516  0.0001347 0.0 0.0 0.0
-0.0030517  0.0011642 0.0 0.0 0.0
-0.0164843  0.0063462 0.0 0.0 0.0
-0.0599250  0.0230220 0.0 0.0 0.0
-0.1571108  0.0608995 0.0 0.0 0.0
-0.2897874  0.1074306 0.0 0.0 0.0
-0.3681807  0.1206545 0.0 0.0 0.0
-0.2758578  0.0049059 0.0 0.0 0.0
-0.0929808 -0.2432063 0.0 0.0 0.0
-0.0088172 -0.4015940 0.0 0.0 0.0
-0.0007908 -0.3557869 1.0 0.0 0.0
-0.0000770 -0.2005414 0.0 1.0 0.0
-0.0000880 -0.0575269 0.0 0.0 1.0
*
End

*
/No.ECP.Paulovic.14s10p11d9f.2s1p1d1f.24e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on NoQR(3H)
*
 24.000000         3

* S-type functions
   14    6
  28889659.190000001
   2475921.379000000
    288717.561300000
     36180.396600000
      5884.051314000
       373.726402200
        62.131665070
        15.376065060
         4.494146154
         3.238040993
         0.869845284
         0.412523119
         0.090114224
         0.034807661
      0.000175984500     -0.000048160426 0.0 0.0 0.0 0.0
      0.000660309590     -0.000180704670 0.0 0.0 0.0 0.0
      0.002324093300     -0.000636014370 0.0 0.0 0.0 0.0
      0.007658288200     -0.002095983500 0.0 0.0 0.0 0.0
      0.018920480000     -0.005177681300 0.0 0.0 0.0 0.0
     -0.119377140000      0.032735571000 0.0 0.0 0.0 0.0
      0.406782070000     -0.112565420000 0.0 0.0 0.0 0.0
     -0.923591090000      0.263325170000 0.0 0.0 0.0 0.0
      0.725072160000     -0.229047740000 0.0 0.0 0.0 0.0
      0.697022510000     -0.218418930000 0.0 0.0 0.0 0.0
     -0.900803140000      0.403366540000 1.0 0.0 0.0 0.0
     -0.490172890000      0.359642050000 0.0 1.0 0.0 0.0
     -0.016128371000     -0.680067660000 0.0 0.0 1.0 0.0
      0.003885260500     -0.535898440000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     12636.509320000
      2349.932153000
       649.182044900
        87.307818390
        17.554916080
         5.139449793
         3.473644718
         0.813625029
         0.364006821
         0.143751149
      0.002683986500 0.0 0.0 0.0 0.0
      0.013162503000 0.0 0.0 0.0 0.0
      0.035681331000 0.0 0.0 0.0 0.0
     -0.143793010000 0.0 0.0 0.0 0.0
      0.362542010000 0.0 0.0 0.0 0.0
     -0.258108810000 0.0 0.0 0.0 0.0
     -0.413643160000 1.0 0.0 0.0 0.0
      0.619052040000 0.0 1.0 0.0 0.0
      0.475531700000 0.0 0.0 1.0 0.0
      0.077248238000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1331.292235000
       372.886567400
       135.559112900
        26.362038760
        14.251014000
         6.189979856
         3.218943434
         0.660655598
         0.271648540
         0.106207798
         0.038577892
     -0.002254076100 0.0 0.0 0.0 0.0
     -0.013027250000 0.0 0.0 0.0 0.0
     -0.029851998000 0.0 0.0 0.0 0.0
      0.068045599000 0.0 0.0 0.0 0.0
      0.048818940000 0.0 0.0 0.0 0.0
     -0.092018617000 0.0 0.0 0.0 0.0
     -0.150433550000 0.0 0.0 0.0 0.0
      0.237882750000 1.0 0.0 0.0 0.0
      0.395532950000 0.0 1.0 0.0 0.0
      0.410215640000 0.0 0.0 1.0 0.0
      0.220565590000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       416.308563800
       139.708180400
        57.021570190
        24.997188580
         5.535789421
         2.650370416
         1.242622241
         0.555711265
         0.223927127
     -0.005627701900 0.0 0.0 0.0
     -0.037287021000 0.0 0.0 0.0
     -0.115207250000 0.0 0.0 0.0
     -0.160976700000 0.0 0.0 0.0
      0.294902000000 0.0 0.0 0.0
      0.412795180000 0.0 0.0 0.0
      0.326042480000 1.0 0.0 0.0
      0.169697240000 0.0 1.0 0.0
      0.044606386000 0.0 0.0 1.0
*
* Core AIMP:No DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    623934.980000000
    143798.858000000
     46452.752700000
     16319.865600000
      5938.385840000
      2218.587090000
       948.862813000
       358.009888000
       162.089538000
        32.550356500
        22.029769100
         6.711056100
         3.693773400
         1.841919000
      0.045252303417
      0.036697418728
      0.055135678735
      0.075934732303
      0.099830680681
      0.166667443746
      0.242722094576
      0.177478384616
      0.597555543966
      0.873874435713
      0.169203261136
      0.478950946051
      0.214243736425
      0.016453339907
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   11083.129000    2172.649800     572.787660     157.851258      37.774620
 3248984200000.000000000
  304197620000.000000000
   45797007000.000000000
    9017584600.000000000
    2217541500.000000000
     665488300.000000000
     235112090.000000000
      93565629.000000000
      34428209.000000000
      11470997.000000000
       3800047.000000000
       1303436.800000000
        470673.720000000
        180448.470000000
         74289.263000000
         32768.456000000
         15141.261000000
          7241.479200000
          3585.956500000
          1812.279300000
           918.433750000
           471.846910000
           245.874040000
           121.001480000
            70.281008000
            38.977150000
            21.318029000
            12.028101000
             6.415481700
             3.346142700
             1.320774400
             0.766401800
             0.360744580
             0.080611525
             0.031110764
    0.000004900000   -0.000002200000    0.000001100000    0.000000600000   -0.000000300000
    0.000018600001   -0.000008300001    0.000004100000    0.000002200000   -0.000001100000
    0.000052400002   -0.000023400003    0.000011600001    0.000006200000   -0.000003200000
    0.000125700005   -0.000056000007    0.000027700001    0.000014700000   -0.000007599999
    0.000256200009   -0.000113900015    0.000056300003    0.000029900000   -0.000015499999
    0.000461400017   -0.000204700026    0.000101200005    0.000053600000   -0.000027899998
    0.000741600027   -0.000328400042    0.000162300008    0.000086000000   -0.000044699996
    0.001250200046   -0.000553000071    0.000273200013    0.000144800001   -0.000075199994
    0.002605100095   -0.001151200147    0.000568700027    0.000301400001   -0.000156599988
    0.005211700190   -0.002302800294    0.001137600055    0.000603000002   -0.000313199975
    0.009806000358   -0.004339000554    0.002144300103    0.001136600004   -0.000590399953
    0.017639300644   -0.007836501000    0.003875600186    0.002054600008   -0.001067399915
    0.030403601111   -0.013612701738    0.006742400323    0.003575900014   -0.001857799852
    0.049941801824   -0.022663602893    0.011251900539    0.005971100024   -0.003102999752
    0.077340102825   -0.035828704574    0.017859900856    0.009488000037   -0.004931099606
    0.115399604216   -0.055152807041    0.027640801325    0.014703700058   -0.007647999390
    0.167264406110   -0.083541110665    0.042254302025    0.022534300089   -0.011720199065
    0.222226908118   -0.118237215095    0.060458802898    0.032326000127   -0.016849698655
    0.251166809175   -0.142029718132    0.073668203531    0.039558100156   -0.020586898357
    0.213540707801   -0.108786113888    0.053284902554    0.028049400110   -0.014626298833
    0.098404903595    0.085040010857   -0.076053003646   -0.046217400182    0.025155097992
    0.012678200463    0.407864452070   -0.366349517561   -0.227833600897    0.123445890147
    0.001017100037    0.479299661190   -0.521084024978   -0.344163701355    0.191936484681
   -0.000777600028    0.170714221794    0.050409102416    0.086826200342   -0.061040595128
    0.000703500026   -0.018005602299    0.761326136495    0.932464503670   -0.615439050880
   -0.000543800020    0.015041801920    0.445618221361    0.604437302379   -0.430433565646
    0.000392000014   -0.009364701196    0.058299302795   -0.751847402959    0.821169634460
   -0.000245300009    0.005505700703   -0.001063000051   -0.803201403161    1.249587900267
    0.000127700005   -0.002792100356    0.001073900051   -0.114610500451   -0.577052353944
   -0.000057300002    0.001240500158   -0.000648700031   -0.001144200005   -1.074120814272
    0.000029500001   -0.000636000081    0.000273700013   -0.000358400001   -0.159640087259
   -0.000019200001    0.000412600053   -0.000176400008    0.000096400000    0.040052996803
    0.000005100000   -0.000110900014    0.000050800002    0.000020400000   -0.008513299321
   -0.000001000000    0.000020900003   -0.000009300000   -0.000003100000    0.001339399893
    0.000000400000   -0.000008000001    0.000003600000    0.000001500000   -0.000502899960
   26    4
    1743.281100     455.052980     119.011414      25.103080
 480367830.000000000
  67913052.000000000
  13747703.000000000
   3375898.700000000
    966697.860000000
    314081.910000000
    112045.260000000
     42893.582000000
     17545.411000000
      7609.636200000
      3461.227000000
      1649.786900000
       823.077480000
       426.582980000
       227.126430000
       122.977520000
        68.659038000
        38.491088000
        21.202050000
        11.948102000
         6.574279800
         3.496542700
         1.777609700
         0.828035440
         0.373027440
         0.150228280
    0.000011899999   -0.000006400000   -0.000003400000   -0.000001700000
    0.000036999997   -0.000019900000   -0.000010699999   -0.000005400000
    0.000099999991   -0.000053899999   -0.000028899998   -0.000014600000
    0.000248199977   -0.000133999997   -0.000071899996   -0.000036300001
    0.000573699947   -0.000310499993   -0.000166699991   -0.000084100002
    0.001281599882   -0.000695999985   -0.000373899979   -0.000188700005
    0.002876999734   -0.001569699967   -0.000844299953   -0.000426300010
    0.006529499397   -0.003585499924   -0.001931599894   -0.000975300024
    0.014856798628   -0.008234099826   -0.004447299755   -0.002248200054
    0.034058096854   -0.019131899596   -0.010366999429   -0.005241600127
    0.076543192929   -0.043899399072   -0.023925298681   -0.012128300293
    0.156495685543   -0.092470598046   -0.050779797201   -0.025760900623
    0.266418975388   -0.163328296548   -0.090693695000   -0.046247801119
    0.331226269401   -0.201749395736   -0.111325193863   -0.056419501365
    0.244743477390   -0.063282298663   -0.015064399170   -0.004910800119
    0.079313392673    0.296516193733    0.262054485554    0.151697503669
    0.006203899427    0.502924589371    0.460870674594    0.265718906427
    0.000627999942    0.282045894039    0.076567595779    0.008653000209
   -0.000431099960    0.047350398999   -0.575127268295   -0.527319012754
    0.000179499983    0.000672899986   -0.524206171102   -0.503415012176
   -0.000100799991    0.000206299996   -0.115948093608    0.409844309913
    0.000060299994   -0.000224599995   -0.004579199748    0.713683617262
   -0.000023999998    0.000035899999   -0.000493799973    0.229327505547
    0.000010199999   -0.000018300000    0.000111099994    0.013186000319
   -0.000003900000    0.000006700000   -0.000030899998    0.001009200024
    0.000001000000   -0.000001800000    0.000003600000   -0.000208700005
   18    3
     361.441280      83.161280      12.474566
     36197.145000000
      9068.208300000
      3148.022100000
      1293.901600000
       591.476390000
       291.340830000
       151.770630000
        83.258294000
        47.915869000
        28.754443000
        17.661784000
        10.635773000
         6.160491000
         3.743762500
         2.401306300
         1.383730200
         0.652823760
         0.134451440
    0.000182900024   -0.000107000000    0.000050699999
    0.001141000148   -0.000669300001    0.000317299994
    0.005569000720   -0.003289900007    0.001562399971
    0.022470402907   -0.013367500028    0.006359099884
    0.073124109459   -0.044225000094    0.021127299614
    0.181655023498   -0.111409800236    0.053403599025
    0.313709640580   -0.190486200403    0.091113898337
    0.337872843705   -0.171942000364    0.076906098596
    0.202458726189    0.038848300082   -0.046354999154
    0.067753308764    0.286368200606   -0.188653896557
    0.010317901335    0.409971400868   -0.273344895011
    0.001141100148    0.290044400614   -0.076504998604
   -0.000357800046    0.084913200180    0.300113694522
    0.000192600025    0.006072100013    0.381709593033
   -0.000163500021    0.002158400005    0.301759094492
    0.000028900004   -0.000178900000    0.172607996849
   -0.000012900002    0.000085500000    0.029388699464
    0.000000400000   -0.000002700000    0.000558099990
   13    1
      48.578518
      2116.873100000
       709.229860000
       300.516770000
       143.779180000
        73.806840000
        39.667554000
        21.672925000
        11.902688000
         6.412562500
         3.302590800
         1.589210600
         0.686353960
         0.253113250
   -0.000369800008
   -0.003255200068
   -0.017966700376
   -0.065486501369
   -0.166392803480
   -0.291099006087
   -0.352126407364
   -0.262012805479
   -0.099016302071
   -0.013151400275
   -0.000421000009
   -0.000019900000
   -0.000001500000
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   No.AE.Paulovic.35s26p18d13f.7s5p4d2f.102e-DK3-AE.                                     *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32503072D+13 0.30704740D+12 0.46420934D+11 0.92157297D+10 0.22918869D+10 0.67663057D+09
 0.23790822D+09 0.93251747D+08 0.33395697D+08 0.11255529D+08 0.37971492D+07 0.13100775D+07
 0.47213093D+06 0.18130382D+06 0.74646586D+05 0.32760984D+05 0.15149970D+05 0.72607722D+04
 0.35790535D+04 0.18057999D+04 0.92111242D+03 0.47163227D+03 0.24372830D+03 0.12059203D+03
 0.70152383D+02 0.39139836D+02 0.21251514D+02 0.12029575D+02 0.64464654D+01 0.33152822D+01
 0.13172824D+01 0.74322266D+00 0.37729556D+00 0.80627328D-01 0.29749323D-01
 0.0000049 -0.0000022  0.0000011  0.0000006 -0.0000003  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000184 -0.0000083  0.0000041  0.0000022 -0.0000011  0.0000005  0.0000001 0.0 0.0 0.0 0.0
 0.0000518 -0.0000232  0.0000115  0.0000061 -0.0000032  0.0000014  0.0000004 0.0 0.0 0.0 0.0
 0.0001228 -0.0000548  0.0000271  0.0000144 -0.0000075  0.0000034  0.0000009 0.0 0.0 0.0 0.0
 0.0002515 -0.0001118  0.0000553  0.0000293 -0.0000152  0.0000069  0.0000019 0.0 0.0 0.0 0.0
 0.0004646 -0.0002061  0.0001019  0.0000540 -0.0000281  0.0000126  0.0000035 0.0 0.0 0.0 0.0
 0.0007330 -0.0003246  0.0001604  0.0000850 -0.0000442  0.0000199  0.0000055 0.0 0.0 0.0 0.0
 0.0013020 -0.0005759  0.0002845  0.0001508 -0.0000784  0.0000353  0.0000097 0.0 0.0 0.0 0.0
 0.0026669 -0.0011785  0.0005822  0.0003086 -0.0001604  0.0000722  0.0000198 0.0 0.0 0.0 0.0
 0.0051728 -0.0022856  0.0011291  0.0005985 -0.0003110  0.0001400  0.0000384 0.0 0.0 0.0 0.0
 0.0096946 -0.0042896  0.0021199  0.0011237 -0.0005840  0.0002629  0.0000721 0.0 0.0 0.0 0.0
 0.0175922 -0.0078153  0.0038650  0.0020491 -0.0010651  0.0004795  0.0001315 0.0 0.0 0.0 0.0
 0.0303795 -0.0136015  0.0067369  0.0035731 -0.0018573  0.0008362  0.0002293 0.0 0.0 0.0 0.0
 0.0496474 -0.0225278  0.0111840  0.0059353 -0.0030859  0.0013896  0.0003809 0.0 0.0 0.0 0.0
 0.0774639 -0.0358815  0.0178865  0.0095027 -0.0049415  0.0022249  0.0006100 0.0 0.0 0.0 0.0
 0.1159281 -0.0554034  0.0277641  0.0147695 -0.0076853  0.0034618  0.0009489 0.0 0.0 0.0 0.0
 0.1663429 -0.0830832  0.0420294  0.0224166 -0.0116676  0.0052534  0.0014408 0.0 0.0 0.0 0.0
 0.2225074 -0.1183402  0.0604903  0.0323405 -0.0168585  0.0076003  0.0020822 0.0 0.0 0.0 0.0
 0.2531402 -0.1431854  0.0743129  0.0399150 -0.0208019  0.0093623  0.0025717 0.0 0.0 0.0 0.0
 0.2121552 -0.1078709  0.0526791  0.0276990 -0.0144080  0.0065104  0.0017719 0.0 0.0 0.0 0.0
 0.0977625  0.0838532 -0.0747917 -0.0454172  0.0246408 -0.0112668 -0.0030615 0.0 0.0 0.0 0.0
 0.0133816  0.4129214 -0.3714386 -0.2310897  0.1254995 -0.0570557 -0.0157482 0.0 0.0 0.0 0.0
 0.0006279  0.4807220 -0.5231927 -0.3457708  0.1925406 -0.0885138 -0.0241501 0.0 0.0 0.0 0.0
-0.0004761  0.1625286  0.0636668  0.0970080 -0.0658351  0.0324011  0.0084293 0.0 0.0 0.0 0.0
 0.0004345 -0.0130747  0.7503377  0.9242721 -0.6137226  0.2929703  0.0823414 0.0 0.0 0.0 0.0
-0.0003485  0.0114696  0.4489797  0.6022147 -0.4228186  0.2119354  0.0567059 0.0 0.0 0.0 0.0
 0.0002534 -0.0067991  0.0586403 -0.7502594  0.8114323 -0.4521320 -0.1237376 0.0 0.0 0.0 0.0
-0.0001593  0.0039185 -0.0007897 -0.7986773  1.2623177 -0.7746609 -0.2299136 0.0 0.0 0.0 0.0
 0.0000821 -0.0019365  0.0007138 -0.1163456 -0.5959576  0.5623374  0.1808766 0.0 0.0 0.0 0.0
-0.0000364  0.0008432 -0.0004453 -0.0011118 -1.0741512  1.1231518  0.3438326 0.0 0.0 0.0 0.0
 0.0000189 -0.0004328  0.0001594 -0.0004443 -0.1435459 -0.2780957 -0.0772231 0.0 0.0 0.0 0.0
-0.0000127  0.0002896 -0.0001014  0.0001795  0.0330773 -0.8165460 -0.4462779 1.0 0.0 0.0 0.0
 0.0000038 -0.0000880  0.0000345 -0.0000118 -0.0076980 -0.3596484 -0.2378735 0.0 1.0 0.0 0.0
-0.0000006  0.0000138 -0.0000051  0.0000022  0.0009409 -0.0117969  0.8043666 0.0 0.0 1.0 0.0
 0.0000002 -0.0000050  0.0000015  0.0000014 -0.0003436  0.0030539  0.3998209 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.48922621D+09 0.69138321D+08 0.13882200D+08 0.34335839D+07 0.98528736D+06 0.31533047D+06
 0.11178379D+06 0.42963892D+05 0.17554823D+05 0.75979584D+04 0.34618424D+04 0.16519877D+04
 0.82271907D+03 0.42670881D+03 0.22793818D+03 0.12309208D+03 0.68710742D+02 0.38524172D+02
 0.21164055D+02 0.11915568D+02 0.65183203D+01 0.34824766D+01 0.17809756D+01 0.83460978D+00
 0.38285384D+00 0.15590927D+00
 0.0000117 -0.0000063 -0.0000034 -0.0000017  0.0000007 0.0 0.0 0.0 0.0
 0.0000366 -0.0000197 -0.0000106 -0.0000053  0.0000021 0.0 0.0 0.0 0.0
 0.0000993 -0.0000536 -0.0000287 -0.0000145  0.0000057 0.0 0.0 0.0 0.0
 0.0002433 -0.0001314 -0.0000705 -0.0000356  0.0000139 0.0 0.0 0.0 0.0
 0.0005695 -0.0003082 -0.0001654 -0.0000836  0.0000327 0.0 0.0 0.0 0.0
 0.0012951 -0.0007033 -0.0003778 -0.0001909  0.0000747 0.0 0.0 0.0 0.0
 0.0028770 -0.0015696 -0.0008443 -0.0004268  0.0001672 0.0 0.0 0.0 0.0
 0.0065026 -0.0035709 -0.0019239 -0.0009724  0.0003808 0.0 0.0 0.0 0.0
 0.0149031 -0.0082589 -0.0044606 -0.0022575  0.0008847 0.0 0.0 0.0 0.0
 0.0341183 -0.0191687 -0.0103884 -0.0052581  0.0020590 0.0 0.0 0.0 0.0
 0.0762714 -0.0437359 -0.0238342 -0.0120960  0.0047448 0.0 0.0 0.0 0.0
 0.1564706 -0.0924719 -0.0507905 -0.0257930  0.0101040 0.0 0.0 0.0 0.0
 0.2670609 -0.1636562 -0.0908537 -0.0463850  0.0182343 0.0 0.0 0.0 0.0
 0.3297160 -0.2010655 -0.1110358 -0.0563245  0.0220103 0.0 0.0 0.0 0.0
 0.2448002 -0.0637832 -0.0153782 -0.0051333  0.0019196 0.0 0.0 0.0 0.0
 0.0806922  0.2958357  0.2614697  0.1516514 -0.0617066 0.0 0.0 0.0 0.0
 0.0056060  0.5030228  0.4614336  0.2661437 -0.1066024 0.0 0.0 0.0 0.0
 0.0010319  0.2825599  0.0760895  0.0087832 -0.0018311 0.0 0.0 0.0 0.0
-0.0007020  0.0476326 -0.5771673 -0.5315306  0.2434996 0.0 0.0 0.0 0.0
 0.0003592  0.0004143 -0.5236483 -0.4990565  0.2182827 0.0 0.0 0.0 0.0
-0.0002063  0.0003173 -0.1146014  0.4167443 -0.2713523 0.0 0.0 0.0 0.0
 0.0001178 -0.0002830 -0.0036123  0.7091672 -0.4941608 0.0 0.0 0.0 0.0
-0.0000512  0.0000647 -0.0007550  0.2260992  0.0131010 1.0 0.0 0.0 0.0
 0.0000218 -0.0000298  0.0002271  0.0127572  0.5891186 0.0 1.0 0.0 0.0
-0.0000084  0.0000114 -0.0000729  0.0008294  0.4890408 0.0 0.0 1.0 0.0
 0.0000021 -0.0000029  0.0000140 -0.0002097  0.0928143 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.40156996D+05 0.98904784D+04 0.33478034D+04 0.13494748D+04 0.60858649D+03 0.29676672D+03
 0.15263982D+03 0.81721022D+02 0.44608885D+02 0.24372664D+02 0.13488110D+02 0.73623153D+01
 0.38894360D+01 0.19633643D+01 0.91125357D+00 0.35683116D+00 0.12874681D+00 0.42977166D-01
 0.0001574  0.0000921  0.0000438 -0.0000088 0.0 0.0 0.0 0.0
 0.0010105  0.0005926  0.0002815 -0.0000564 0.0 0.0 0.0 0.0
 0.0051252  0.0030263  0.0014423 -0.0002886 0.0 0.0 0.0 0.0
 0.0213208  0.0126789  0.0060424 -0.0012107 0.0 0.0 0.0 0.0
 0.0709666  0.0428855  0.0205618 -0.0041173 0.0 0.0 0.0 0.0
 0.1802661  0.1105563  0.0530737 -0.0106505 0.0 0.0 0.0 0.0
 0.3208384  0.1948720  0.0936980 -0.0187543 0.0 0.0 0.0 0.0
 0.3567799  0.1786893  0.0789101 -0.0156536 0.0 0.0 0.0 0.0
 0.2079944 -0.0867762 -0.0761043  0.0166545 0.0 0.0 0.0 0.0
 0.0498188 -0.4285885 -0.2858164  0.0599683 0.0 0.0 0.0 0.0
 0.0027091 -0.4370298 -0.2494355  0.0510817 0.0 0.0 0.0 0.0
 0.0002878 -0.1580385  0.2209812 -0.0634683 0.0 0.0 0.0 0.0
-0.0001867 -0.0149559  0.5496505 -0.1403175 0.0 0.0 0.0 0.0
 0.0000195 -0.0007406  0.3582655 -0.0681334 0.0 0.0 0.0 0.0
-0.0000247  0.0000554  0.0751407  0.1598434 1.0 0.0 0.0 0.0
 0.0000050 -0.0000420  0.0023486  0.3925742 0.0 1.0 0.0 0.0
-0.0000022  0.0000146  0.0003600  0.4655798 0.0 0.0 1.0 0.0
 0.0000007 -0.0000041 -0.0000792  0.2749113 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.22606026D+04 0.74375048D+03 0.31367655D+03 0.15024681D+03 0.76375059D+02 0.40147719D+02
 0.21332924D+02 0.11378221D+02 0.59782044D+01 0.30241753D+01 0.14583418D+01 0.65425951D+00
 0.25694188D+00
-0.0003238  0.0001257 0.0 0.0 0.0
-0.0029567  0.0011457 0.0 0.0 0.0
-0.0163881  0.0063953 0.0 0.0 0.0
-0.0608275  0.0237399 0.0 0.0 0.0
-0.1633200  0.0641487 0.0 0.0 0.0
-0.3010034  0.1130760 0.0 0.0 0.0
-0.3687659  0.1200808 0.0 0.0 0.0
-0.2613827 -0.0046839 0.0 0.0 0.0
-0.0867244 -0.2412358 0.0 0.0 0.0
-0.0097111 -0.3886597 0.0 0.0 0.0
-0.0006875 -0.3509497 1.0 0.0 0.0
-0.0002648 -0.2084718 0.0 1.0 0.0
-0.0000804 -0.0635180 0.0 0.0 1.0
*
End

*
/Lr.ECP.Paulovic.14s10p11d9f.2s1p1d1f.25e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on LrQR(2D)
*
 25.000000         3

* S-type functions
   14    6
  29603573.489999998
   2553249.508000000
    285612.348600000
     36522.789990000
      6069.248478000
       386.875347600
        63.770902850
        15.980684060
         4.669802501
         3.487743967
         0.901696917
         0.430128723
         0.096238480
         0.036798905
      0.000183063390     -0.000049975152 0.0 0.0 0.0 0.0
      0.000697046060     -0.000190291660 0.0 0.0 0.0 0.0
      0.002447154300     -0.000668053620 0.0 0.0 0.0 0.0
      0.007763943600     -0.002119708100 0.0 0.0 0.0 0.0
      0.018642957000     -0.005089224900 0.0 0.0 0.0 0.0
     -0.118777690000      0.032491391000 0.0 0.0 0.0 0.0
      0.409785480000     -0.113126260000 0.0 0.0 0.0 0.0
     -0.925872560000      0.263293050000 0.0 0.0 0.0 0.0
      0.657051740000     -0.209118010000 0.0 0.0 0.0 0.0
      0.754740960000     -0.232521710000 0.0 0.0 0.0 0.0
     -0.887155240000      0.390883290000 1.0 0.0 0.0 0.0
     -0.495489050000      0.369159180000 0.0 1.0 0.0 0.0
     -0.016721524000     -0.649175400000 0.0 0.0 1.0 0.0
      0.003772400100     -0.569597560000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     13212.076230000
      2456.800030000
       673.063514200
        89.618587820
        18.021303800
         5.708579713
         3.700281794
         0.843331160
         0.377896216
         0.148616367
      0.002649780000 0.0 0.0 0.0 0.0
      0.012920438000 0.0 0.0 0.0 0.0
      0.035532593000 0.0 0.0 0.0 0.0
     -0.142773370000 0.0 0.0 0.0 0.0
      0.363582810000 0.0 0.0 0.0 0.0
     -0.198334860000 0.0 0.0 0.0 0.0
     -0.470683800000 1.0 0.0 0.0 0.0
      0.609757390000 0.0 1.0 0.0 0.0
      0.481522770000 0.0 0.0 1.0 0.0
      0.080275906000 0.0 0.0 0.0 1.0
* D-type functions
   11    5
      1352.661230000
       378.752661700
       138.143935300
        27.330174640
        14.941553010
         6.459656306
         3.369169173
         0.681285434
         0.273874811
         0.103474924
         0.036612382
     -0.002179918300 0.0 0.0 0.0 0.0
     -0.012503338000 0.0 0.0 0.0 0.0
     -0.028219082000 0.0 0.0 0.0 0.0
      0.063148084000 0.0 0.0 0.0 0.0
      0.047370011000 0.0 0.0 0.0 0.0
     -0.084596816000 0.0 0.0 0.0 0.0
     -0.144114500000 0.0 0.0 0.0 0.0
      0.233476670000 1.0 0.0 0.0 0.0
      0.399974840000 0.0 1.0 0.0 0.0
      0.419925570000 0.0 0.0 1.0 0.0
      0.219817610000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       432.305637400
       144.527943800
        58.974707910
        25.898019890
         5.768066726
         2.780923921
         1.312729676
         0.587214025
         0.234052741
     -0.005591552700 0.0 0.0 0.0
     -0.037413788000 0.0 0.0 0.0
     -0.116013710000 0.0 0.0 0.0
     -0.162873740000 0.0 0.0 0.0
      0.295430870000 0.0 0.0 0.0
      0.409499570000 0.0 0.0 0.0
      0.325417510000 1.0 0.0 0.0
      0.171779950000 0.0 1.0 0.0
      0.044915642000 0.0 0.0 1.0
*
* Core AIMP:Lr DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    626204.340000000
    144619.701000000
     46743.938600000
     16395.030100000
      5961.300740000
      2244.581680000
       967.033897000
       365.368904000
       166.588330000
        33.331748200
        22.109860300
         6.924968400
         3.830432400
         1.938293800
      0.044211492414
      0.035689722514
      0.053486293817
      0.073453372447
      0.096354905839
      0.160894813681
      0.231010477715
      0.170107389635
      0.572597529381
      0.863179911320
      0.137952651641
      0.463216315851
      0.202519540198
      0.015325583548
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   11366.933200    2237.613200     591.670360     164.053774      39.765594
 3967444900000.000000000
  309984460000.000000000
   44219987000.000000000
    8664208900.000000000
    2190531200.000000000
     652910030.000000000
     231719300.000000000
      95239269.000000000
      35362672.000000000
      11834136.000000000
       3867554.900000000
       1303302.500000000
        464607.240000000
        178507.680000000
         74219.301000000
         32794.928000000
         15070.360000000
          7219.956800000
          3605.183800000
          1813.683800000
           903.441980000
           468.139000000
           245.413200000
           115.801650000
            69.777657000
            39.119662000
            20.896731000
            12.138201000
             6.376537100
             3.335314600
             1.340530800
             0.722856880
             0.362479740
             0.085177924
             0.031672413
    0.000005100000   -0.000002300000    0.000001100000    0.000000600000   -0.000000300000
    0.000021199998   -0.000009600000    0.000004800000    0.000002500000   -0.000001300000
    0.000059499994   -0.000026799999    0.000013300000    0.000007100000   -0.000003700000
    0.000138299987   -0.000062099999    0.000030699999    0.000016299999   -0.000008500000
    0.000275799973   -0.000123399997    0.000061099999    0.000032399998   -0.000016900000
    0.000509799951   -0.000227699995    0.000112599997    0.000059799997   -0.000031200001
    0.000775999925   -0.000345899993    0.000171099996    0.000090899996   -0.000047400001
    0.001295199875   -0.000576699988    0.000285199993    0.000151399993   -0.000079000002
    0.002705599739   -0.001203399975    0.000595099986    0.000315999984   -0.000164800004
    0.005441599475   -0.002419799949    0.001196599972    0.000635299969   -0.000331400008
    0.010396198998   -0.004629399903    0.002290099946    0.001216099940   -0.000634300015
    0.018797498188   -0.008404399824    0.004160399903    0.002209499891   -0.001152700027
    0.032174496898   -0.014500799696    0.007190199832    0.003820399811   -0.001993200047
    0.051667995018   -0.023603299505    0.011729599725    0.006235299692   -0.003253800077
    0.079184092365   -0.036931599225    0.018433799568    0.009812599515   -0.005121800121
    0.118941388532   -0.057213598800    0.028693699328    0.015285899245   -0.007982800189
    0.171699083445   -0.086385198188    0.043778198975    0.023406098844   -0.012229600289
    0.222018678593   -0.118716697510    0.060674998579    0.032456798397   -0.016978000401
    0.248420176048   -0.140679197050    0.073148298287    0.039437998052   -0.020636500488
    0.212619079500   -0.103280497834    0.049048898851    0.025431298744   -0.013227200313
    0.092643691067    0.106235197772   -0.091366897860   -0.054962097285    0.029857200705
    0.009417799092    0.416154491272   -0.381419491067   -0.239726188157    0.130932003093
    0.001611599845    0.469781690148   -0.503239988214   -0.330749783660    0.184787104366
   -0.001331099872    0.164411196552    0.114504097318    0.146454492765   -0.098225102321
    0.001259899879   -0.035423899257    0.747545382493    0.945528253287   -0.632890214953
   -0.000882099915    0.022060799537    0.417059790233    0.513450974634   -0.359490008493
    0.000621699940   -0.013687099713    0.051535298793   -0.801527960401    0.903303821342
   -0.000399299962    0.008379399824   -0.002938999931   -0.732930063790    1.156594027326
    0.000196299981   -0.004033699915    0.001439999966   -0.114395194348   -0.666840715755
   -0.000088399991    0.001805699962   -0.000768299982    0.006318599688   -1.019181024080
    0.000042199996   -0.000860199982    0.000308099993   -0.003525799826   -0.119557202825
   -0.000027099997    0.000551999988   -0.000193399995    0.002163899893    0.023165800547
    0.000008799999   -0.000180299996    0.000065899998   -0.000670499967   -0.005711000135
   -0.000001600000    0.000032299999   -0.000011600000    0.000122399994    0.000790000019
    0.000000600000   -0.000011500000    0.000004200000   -0.000043799998   -0.000274100006
   26    4
    1786.647760     468.306240     123.395540      26.470290
 370823890.000000000
  55960854.000000000
  12078576.000000000
   3116104.500000000
    306639.620000000
    920718.160000000
    111343.650000000
     43139.101000000
     17688.129000000
      7644.476600000
      3468.454800000
      1647.573700000
       817.378330000
       422.576610000
       225.985360000
       124.109790000
        70.043697000
        39.661712000
        21.342733000
        11.896995000
         6.462284900
         3.413323100
         1.705264200
         0.826600410
         0.386748330
         0.162218060
    0.000014900001   -0.000008000000   -0.000004300000   -0.000002200000
    0.000043200002   -0.000023300001   -0.000012500000   -0.000006400000
    0.000111600006   -0.000060300003   -0.000032399999   -0.000016400000
    0.000270100014   -0.000146100008   -0.000078599997   -0.000039800000
    0.001347800067   -0.000733400039   -0.000394999985   -0.000200300002
    0.000613600031   -0.000332800018   -0.000179099993   -0.000090800001
    0.002990000149   -0.001634900086   -0.000881599966   -0.000447300006
    0.006739500337   -0.003708400196   -0.002003199923   -0.001016500013
    0.015408500770   -0.008560500452   -0.004634899821   -0.002354800029
    0.035369101768   -0.019913501053   -0.010822199582   -0.005499300068
    0.079192503959   -0.045558202408   -0.024889999039   -0.012681600158
    0.162028508099   -0.095988505074   -0.052887797958   -0.026966500335
    0.274028913698   -0.168589108911   -0.093815896378   -0.048090200598
    0.330815916536   -0.199800010561   -0.110318895741   -0.056104300697
    0.233811011687   -0.049843102635   -0.005202299799    0.000395300005
    0.073474803673    0.302046515965    0.265766689740    0.154932101925
    0.006531800327    0.492378526026    0.457014482357    0.264807203290
    0.000250700013    0.282162314914    0.066368997438    0.001966300024
   -0.000187500009    0.049530902618   -0.602628776735   -0.564714307017
    0.000029200001   -0.001868700099   -0.509109280346   -0.471690305861
   -0.000013900001    0.001288900068   -0.098226696208    0.483682306010
    0.000016200001   -0.000768700041   -0.003214499876    0.693429208616
   -0.000004700000    0.000309000016   -0.000352999986    0.187897602335
    0.000002400000   -0.000145400008    0.000082499997    0.006413300080
   -0.000000900000    0.000056400003   -0.000017899999    0.001711100021
    0.000000200000   -0.000014000001    0.000000200000   -0.000401000005
   18    3
     371.817000      86.460158      13.405497
     33883.219000000
      8462.206100000
      2945.414300000
      1216.580700000
       560.428490000
       280.511560000
       149.615780000
        84.181768000
        48.470185000
        27.105659000
        15.063187000
         8.207152200
         4.357226400
         2.226594100
         1.064806200
         0.397341600
         0.137209120
         0.043347259
    0.000213699998    0.000125600001    0.000060000004
    0.001346599987    0.000793600009    0.000379200027
    0.006528799936    0.003872800043    0.001855000130
    0.025909599747    0.015500300171    0.007433600523
    0.081288299208    0.049424700544    0.023826001676
    0.189727598151    0.116966301287    0.056498603973
    0.308064896997    0.186900102057    0.090168806341
    0.324976496832    0.164974801815    0.073607305177
    0.209983297953   -0.051313500565   -0.054422003827
    0.064904499367   -0.385738804245   -0.260005118285
    0.003629799965   -0.466355605132   -0.286439520144
    0.000950099991   -0.193071802125    0.155844110960
   -0.000528599995   -0.021699400239    0.539037137908
    0.000169999998   -0.001054300012    0.394568127748
   -0.000086499999    0.000032000000    0.101180607116
    0.000022300000   -0.000043100000    0.005176500364
   -0.000008500000    0.000013600000   -0.000088000006
    0.000002600000   -0.000003800000    0.000049900004
   13    1
      51.130960
      2124.280800000
       709.416070000
       300.467530000
       143.668720000
        73.742902000
        39.627640000
        21.694527000
        11.940555000
         6.441738700
         3.309208900
         1.602690600
         0.716637100
         0.281335960
   -0.000394099993
   -0.003469799942
   -0.019055399679
   -0.068875498840
   -0.173113497085
   -0.297296394994
   -0.351268394085
   -0.253228095736
   -0.091621898457
   -0.011338899809
   -0.000306599995
   -0.000020100000
    0.000001400000
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Lr.AE.Paulovic.35s26p18d13f.7s5p4d2f.103e-DK3-AE.                                     *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.39674449D+13 0.30998446D+12 0.44219987D+11 0.86642089D+10 0.21905312D+10 0.65291003D+09
 0.23171930D+09 0.95239269D+08 0.35362672D+08 0.11834136D+08 0.38675549D+07 0.13033025D+07
 0.46460724D+06 0.17850768D+06 0.74219301D+05 0.32794928D+05 0.15070360D+05 0.72199568D+04
 0.36051838D+04 0.18136838D+04 0.90344198D+03 0.46813900D+03 0.24541320D+03 0.11580165D+03
 0.69777657D+02 0.39119662D+02 0.20896731D+02 0.12138201D+02 0.63765371D+01 0.33353146D+01
 0.13405308D+01 0.72285688D+00 0.36247974D+00 0.85177924D-01 0.31672413D-01
 0.0000051 -0.0000023  0.0000011  0.0000006 -0.0000003 -0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000212 -0.0000096  0.0000048  0.0000025 -0.0000013 -0.0000006  0.0000002 0.0 0.0 0.0 0.0
 0.0000595 -0.0000268  0.0000133  0.0000071 -0.0000037 -0.0000017  0.0000005 0.0 0.0 0.0 0.0
 0.0001383 -0.0000621  0.0000307  0.0000163 -0.0000085 -0.0000038  0.0000010 0.0 0.0 0.0 0.0
 0.0002758 -0.0001234  0.0000611  0.0000324 -0.0000169 -0.0000076  0.0000021 0.0 0.0 0.0 0.0
 0.0005098 -0.0002277  0.0001126  0.0000598 -0.0000312 -0.0000141  0.0000038 0.0 0.0 0.0 0.0
 0.0007760 -0.0003459  0.0001711  0.0000909 -0.0000474 -0.0000214  0.0000058 0.0 0.0 0.0 0.0
 0.0012952 -0.0005767  0.0002852  0.0001514 -0.0000790 -0.0000356  0.0000097 0.0 0.0 0.0 0.0
 0.0027056 -0.0012034  0.0005951  0.0003160 -0.0001648 -0.0000743  0.0000203 0.0 0.0 0.0 0.0
 0.0054416 -0.0024198  0.0011966  0.0006353 -0.0003314 -0.0001493  0.0000408 0.0 0.0 0.0 0.0
 0.0103962 -0.0046294  0.0022901  0.0012161 -0.0006343 -0.0002859  0.0000780 0.0 0.0 0.0 0.0
 0.0187975 -0.0084044  0.0041604  0.0022095 -0.0011527 -0.0005195  0.0001418 0.0 0.0 0.0 0.0
 0.0321745 -0.0145008  0.0071902  0.0038204 -0.0019932 -0.0008983  0.0002451 0.0 0.0 0.0 0.0
 0.0516680 -0.0236033  0.0117296  0.0062353 -0.0032538 -0.0014665  0.0004002 0.0 0.0 0.0 0.0
 0.0791841 -0.0369316  0.0184338  0.0098126 -0.0051218 -0.0023083  0.0006300 0.0 0.0 0.0 0.0
 0.1189414 -0.0572136  0.0286937  0.0152859 -0.0079828 -0.0035991  0.0009820 0.0 0.0 0.0 0.0
 0.1716991 -0.0863852  0.0437782  0.0234061 -0.0122296 -0.0055122  0.0015049 0.0 0.0 0.0 0.0
 0.2220187 -0.1187167  0.0606750  0.0324567 -0.0169780 -0.0076607  0.0020890 0.0 0.0 0.0 0.0
 0.2484202 -0.1406792  0.0731483  0.0394380 -0.0206366 -0.0092987  0.0025427 0.0 0.0 0.0 0.0
 0.2126191 -0.1032805  0.0490488  0.0254313 -0.0132272 -0.0059751  0.0016179 0.0 0.0 0.0 0.0
 0.0926437  0.1062353 -0.0913668 -0.0549620  0.0298573  0.0136422 -0.0036969 0.0 0.0 0.0 0.0
 0.0094177  0.4161546 -0.3814194 -0.2397259  0.1309327  0.0596305 -0.0163810 0.0 0.0 0.0 0.0
 0.0016116  0.4697820 -0.5032400 -0.3307500  0.1847869  0.0850115 -0.0230950 0.0 0.0 0.0 0.0
-0.0013313  0.1644112  0.1145041  0.1464544 -0.0982257 -0.0479201  0.0126495 0.0 0.0 0.0 0.0
 0.0012601 -0.0354241  0.7475460  0.9455283 -0.6328919 -0.3028973  0.0847405 0.0 0.0 0.0 0.0
-0.0008823  0.0220605  0.4170603  0.5134525 -0.3594882 -0.1812972  0.0480663 0.0 0.0 0.0 0.0
 0.0006217 -0.0136871  0.0515350 -0.8015306  0.9033078  0.5104510 -0.1399215 0.0 0.0 0.0 0.0
-0.0003993  0.0083792 -0.0029394 -0.7329327  1.1565903  0.7094640 -0.2098628 0.0 0.0 0.0 0.0
 0.0001963 -0.0040337  0.0014395 -0.1143935 -0.6668437 -0.6348313  0.2018846 0.0 0.0 0.0 0.0
-0.0000884  0.0018056 -0.0007686  0.0063211 -1.0191816 -1.0695749  0.3263772 0.0 0.0 0.0 0.0
 0.0000422 -0.0008603  0.0003078 -0.0035252 -0.1195544  0.3647799 -0.1130265 0.0 0.0 0.0 0.0
-0.0000271  0.0005520 -0.0001932  0.0021632  0.0231612  0.8213715 -0.4567614 1.0 0.0 0.0 0.0
 0.0000088 -0.0001802  0.0000658 -0.0006725 -0.0057039  0.2899728 -0.2003718 0.0 1.0 0.0 0.0
-0.0000016  0.0000323 -0.0000116  0.0001225  0.0007880  0.0084607  0.7822181 0.0 0.0 1.0 0.0
 0.0000006 -0.0000116  0.0000039 -0.0000403 -0.0002725 -0.0019202  0.4262467 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.37082389D+09 0.55960854D+08 0.12078576D+08 0.31161045D+07 0.30663962D+06 0.92071816D+06
 0.11134365D+06 0.43139101D+05 0.17688129D+05 0.76444766D+04 0.34684548D+04 0.16475737D+04
 0.81737833D+03 0.42257661D+03 0.22598536D+03 0.12410979D+03 0.70043697D+02 0.39661712D+02
 0.21342733D+02 0.11896995D+02 0.64622849D+01 0.34133231D+01 0.17052642D+01 0.82660041D+00
 0.38674833D+00 0.16221806D+00
 0.0000149 -0.0000080 -0.0000043 -0.0000022  0.0000009 0.0 0.0 0.0 0.0
 0.0000432 -0.0000233 -0.0000125 -0.0000064  0.0000025 0.0 0.0 0.0 0.0
 0.0001116 -0.0000603 -0.0000324 -0.0000164  0.0000064 0.0 0.0 0.0 0.0
 0.0002701 -0.0001461 -0.0000786 -0.0000398  0.0000156 0.0 0.0 0.0 0.0
 0.0013478 -0.0007334 -0.0003950 -0.0002003  0.0000782 0.0 0.0 0.0 0.0
 0.0006136 -0.0003328 -0.0001791 -0.0000908  0.0000355 0.0 0.0 0.0 0.0
 0.0029900 -0.0016349 -0.0008816 -0.0004473  0.0001747 0.0 0.0 0.0 0.0
 0.0067395 -0.0037084 -0.0020032 -0.0010165  0.0003968 0.0 0.0 0.0 0.0
 0.0154085 -0.0085605 -0.0046349 -0.0023548  0.0009200 0.0 0.0 0.0 0.0
 0.0353691 -0.0199135 -0.0108222 -0.0054993  0.0021474 0.0 0.0 0.0 0.0
 0.0791925 -0.0455582 -0.0248900 -0.0126816  0.0049585 0.0 0.0 0.0 0.0
 0.1620285 -0.0959886 -0.0528878 -0.0269665  0.0105359 0.0 0.0 0.0 0.0
 0.2740288 -0.1685891 -0.0938159 -0.0480902  0.0188394 0.0 0.0 0.0 0.0
 0.3308159 -0.1998000 -0.1103189 -0.0561043  0.0218725 0.0 0.0 0.0 0.0
 0.2338110 -0.0498431 -0.0052023  0.0003953 -0.0003319 0.0 0.0 0.0 0.0
 0.0734748  0.3020466  0.2657667  0.1549321 -0.0627581 0.0 0.0 0.0 0.0
 0.0065318  0.4923785  0.4570145  0.2648071 -0.1060372 0.0 0.0 0.0 0.0
 0.0002507  0.2821623  0.0663690  0.0019663  0.0016800 0.0 0.0 0.0 0.0
-0.0001875  0.0495309 -0.6026287 -0.5647143  0.2574313 0.0 0.0 0.0 0.0
 0.0000292 -0.0018687 -0.5091094 -0.4716902  0.2049049 0.0 0.0 0.0 0.0
-0.0000139  0.0012889 -0.0982267  0.4836822 -0.3154233 0.0 0.0 0.0 0.0
 0.0000162 -0.0007687 -0.0032145  0.6934290 -0.4751633 0.0 0.0 0.0 0.0
-0.0000047  0.0003090 -0.0003530  0.1878979  0.0663568 1.0 0.0 0.0 0.0
 0.0000024 -0.0001454  0.0000825  0.0064133  0.5843676 0.0 1.0 0.0 0.0
-0.0000009  0.0000564 -0.0000179  0.0017111  0.4640111 0.0 0.0 1.0 0.0
 0.0000002 -0.0000140  0.0000002 -0.0004011  0.0936002 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.33883219D+05 0.84622061D+04 0.29454143D+04 0.12165807D+04 0.56042849D+03 0.28051156D+03
 0.14961578D+03 0.84181768D+02 0.48470185D+02 0.27105659D+02 0.15063187D+02 0.82071522D+01
 0.43572264D+01 0.22265941D+01 0.10648062D+01 0.39734160D+00 0.13720912D+00 0.43347259D-01
 0.0002137  0.0001256  0.0000600 -0.0000116 0.0 0.0 0.0 0.0
 0.0013466  0.0007936  0.0003792 -0.0000737 0.0 0.0 0.0 0.0
 0.0065288  0.0038728  0.0018550 -0.0003592 0.0 0.0 0.0 0.0
 0.0259096  0.0155003  0.0074336 -0.0014458 0.0 0.0 0.0 0.0
 0.0812883  0.0494247  0.0238260 -0.0046154 0.0 0.0 0.0 0.0
 0.1897276  0.1169663  0.0564986 -0.0110188 0.0 0.0 0.0 0.0
 0.3080649  0.1869001  0.0901688 -0.0173946 0.0 0.0 0.0 0.0
 0.3249765  0.1649748  0.0736073 -0.0143818 0.0 0.0 0.0 0.0
 0.2099833 -0.0513135 -0.0544220  0.0121670 0.0 0.0 0.0 0.0
 0.0649045 -0.3857388 -0.2600050  0.0521860 0.0 0.0 0.0 0.0
 0.0036298 -0.4663555 -0.2864395  0.0590096 0.0 0.0 0.0 0.0
 0.0009501 -0.1930719  0.1558441 -0.0484689 0.0 0.0 0.0 0.0
-0.0005286 -0.0216994  0.5390369 -0.1301035 0.0 0.0 0.0 0.0
 0.0001700 -0.0010543  0.3945683 -0.0898116 0.0 0.0 0.0 0.0
-0.0000865  0.0000320  0.1011807  0.1313160 1.0 0.0 0.0 0.0
 0.0000223 -0.0000431  0.0051765  0.3837891 0.0 1.0 0.0 0.0
-0.0000085  0.0000136 -0.0000880  0.4861742 0.0 0.0 1.0 0.0
 0.0000026 -0.0000038  0.0000499  0.3032485 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21242808D+04 0.70941607D+03 0.30046753D+03 0.14366872D+03 0.73742902D+02 0.39627640D+02
 0.21694527D+02 0.11940555D+02 0.64417387D+01 0.33092089D+01 0.16026906D+01 0.71663710D+00
 0.28133596D+00
-0.0003941 -0.0001541 0.0 0.0 0.0
-0.0034698 -0.0013592 0.0 0.0 0.0
-0.0190554 -0.0074978 0.0 0.0 0.0
-0.0688755 -0.0271752 0.0 0.0 0.0
-0.1731134 -0.0684943 0.0 0.0 0.0
-0.2972964 -0.1121598 0.0 0.0 0.0
-0.3512683 -0.1142564 0.0 0.0 0.0
-0.2532281  0.0014131 0.0 0.0 0.0
-0.0916219  0.2254609 0.0 0.0 0.0
-0.0113389  0.3830284 0.0 0.0 0.0
-0.0003066  0.3597550 1.0 0.0 0.0
-0.0000201  0.2181148 0.0 1.0 0.0
 0.0000014  0.0684126 0.0 0.0 1.0
*
End

*
********************************************************************************
*         C.3.3.2.b. Actinide Elements (core [Xe,4f])                          *
********************************************************************************
*
/Th.ECP.Paulovic.14s10p11d9f.2s1p2d1f.22e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on ThQR(5I)
*
 22.000000         3

* S-type functions
   14    6
   8815339.552999999
    767867.965300000
     89900.079320000
     14720.139550000
      3094.532578000
       250.900980900
        42.391156900
         9.969257822
         2.304549993
         1.282830077
         0.496287216
         0.232048850
         0.063869808
         0.025892138
      0.000153859140     -0.000046397482 0.0 0.0 0.0 0.0
      0.000649820820     -0.000195962160 0.0 0.0 0.0 0.0
      0.002336638800     -0.000704629970 0.0 0.0 0.0 0.0
      0.007145453600     -0.002155003900 0.0 0.0 0.0 0.0
      0.016773083000     -0.005058126400 0.0 0.0 0.0 0.0
     -0.109113110000      0.032962240000 0.0 0.0 0.0 0.0
      0.349947060000     -0.106547800000 0.0 0.0 0.0 0.0
     -0.772129330000      0.241704350000 0.0 0.0 0.0 0.0
      1.171795600000     -0.411519140000 0.0 0.0 0.0 0.0
      0.152987540000     -0.046137563000 0.0 0.0 0.0 0.0
     -0.977359500000      0.491271520000 1.0 0.0 0.0 0.0
     -0.424452650000      0.355655450000 0.0 1.0 0.0 0.0
     -0.013684868000     -0.615497350000 0.0 0.0 1.0 0.0
      0.001351874900     -0.634121160000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
      8980.909187000
      1678.914309000
       462.732603900
        62.212973090
        11.956930070
         2.772963419
         1.725571499
         0.530813405
         0.249292426
         0.104392351
      0.002048978600 0.0 0.0 0.0 0.0
      0.011354318000 0.0 0.0 0.0 0.0
      0.032366711000 0.0 0.0 0.0 0.0
     -0.126525360000 0.0 0.0 0.0 0.0
      0.313573300000 0.0 0.0 0.0 0.0
     -0.436833130000 0.0 0.0 0.0 0.0
     -0.226945790000 1.0 0.0 0.0 0.0
      0.591229430000 0.0 1.0 0.0 0.0
      0.503654680000 0.0 0.0 1.0 0.0
      0.094698995000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
       954.332981000
       269.367927900
        97.477476660
        17.525997440
         7.187953393
         4.649741433
         1.960856897
         0.887169728
         0.446653826
         0.195566225
         0.081286540
         0.032331473
      0.009280919800     -0.002190243600 0.0 0.0 0.0 0.0
      0.054614634000     -0.012997703000 0.0 0.0 0.0 0.0
      0.125145440000     -0.029378591000 0.0 0.0 0.0 0.0
     -0.311519680000      0.077360781000 0.0 0.0 0.0 0.0
     -0.325831320000      0.079258858000 0.0 0.0 0.0 0.0
      0.414638230000     -0.119457580000 0.0 0.0 0.0 0.0
      0.615238870000     -0.188271820000 0.0 0.0 0.0 0.0
      0.258634390000     -0.018144971000 0.0 0.0 0.0 0.0
      0.024683393000      0.233495500000 1.0 0.0 0.0 0.0
      0.005857369400      0.428175680000 0.0 1.0 0.0 0.0
     -0.001512428300      0.402334240000 0.0 0.0 1.0 0.0
      0.000522107140      0.164957160000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       264.681683800
        88.621835370
        35.734059260
        15.250001180
         3.000674844
         1.320486503
         0.561983591
         0.223101957
         0.078016541
     -0.004687965000 0.0 0.0 0.0
     -0.029428129000 0.0 0.0 0.0
     -0.084650127000 0.0 0.0 0.0
     -0.111375600000 0.0 0.0 0.0
      0.228385250000 0.0 0.0 0.0
      0.389600560000 0.0 0.0 0.0
      0.377529280000 1.0 0.0 0.0
      0.248153020000 0.0 1.0 0.0
      0.101549310000 0.0 0.0 1.0
*
* Core AIMP:Th DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    687438.480000000
    165756.696000000
     55461.983700000
     20251.634900000
      7800.954170000
      3041.823680000
      1238.132700000
       574.578234000
       209.322747000
       108.720333000
        22.683600700
        12.682082800
         4.833778500
         2.575772160
      0.036055290986
      0.028677109884
      0.044222300569
      0.064275399981
      0.084666965021
      0.110896244110
      0.192848038526
      0.234369480445
      0.205380375747
      0.587099383563
      0.794274464592
      0.313058801505
      0.324588956823
      0.070496279156
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    8120.278400    1518.202240     386.610640     100.520868      23.170256
 3266531300000.000000000
  310476820000.000000000
   48590502000.000000000
   10009456000.000000000
    2503116700.000000000
     726985140.000000000
     241498670.000000000
      86685553.000000000
      30891912.000000000
      10737389.000000000
       3721407.300000000
       1313761.000000000
        479917.370000000
        184601.850000000
         75356.435000000
         32757.509000000
         15103.318000000
          7258.401200000
          3578.812400000
          1803.324700000
           924.238470000
           469.588690000
           243.086110000
           126.335710000
            70.381385000
            39.224859000
            21.170957000
            12.267199000
             6.809584400
             3.211615200
             1.637774700
             0.759349180
             0.333784050
             0.076225497
             0.030635439
    0.000001500000   -0.000000600000    0.000000300000    0.000000200000   -0.000000100000
    0.000005999999   -0.000002500000    0.000001200000    0.000000600000   -0.000000300000
    0.000017699998   -0.000007400000    0.000003600000    0.000001900000   -0.000000900000
    0.000044199996   -0.000018300001    0.000008900000    0.000004600000   -0.000002300000
    0.000097899990   -0.000040400001    0.000019700000    0.000010200000   -0.000005000000
    0.000195499980   -0.000080600003    0.000039300000    0.000020299999   -0.000009900001
    0.000358099964   -0.000147500005    0.000071900000    0.000037099999   -0.000018100001
    0.000671999933   -0.000276600009    0.000134700000    0.000069599998   -0.000034000002
    0.001334199867   -0.000548900018    0.000267400000    0.000138099996   -0.000067400004
    0.002650699735   -0.001090900036    0.000531400001    0.000274499992   -0.000134000008
    0.005143399486   -0.002120100070    0.001033000002    0.000533599984   -0.000260500015
    0.009718999029   -0.004020900133    0.001960500003    0.001012699969   -0.000494400028
    0.017709398230   -0.007376700244    0.003600800006    0.001860799943   -0.000908600052
    0.030912396911   -0.013026300432    0.006371600010    0.003293999899   -0.001608300092
    0.051852394819   -0.022252000737    0.010918300017    0.005650299827   -0.002760200158
    0.083127091694   -0.036690101216    0.018093700029    0.009371399712   -0.004577100262
    0.128110087199   -0.058947201953    0.029281800046    0.015206199533   -0.007437700426
    0.189100281105   -0.092717403073    0.046619200074    0.024251899256   -0.011852200679
    0.250210274999   -0.134478004456    0.068782100109    0.036018698895   -0.017673401012
    0.258867874134   -0.154084605106    0.080550300128    0.042238298704   -0.020642801182
    0.168982883115   -0.069094902290    0.030718600049    0.015631099520   -0.007736500443
    0.045390395465    0.222236707365   -0.178078400282   -0.104862796782    0.053341803056
    0.000577799942    0.522106317302   -0.509857400807   -0.314387190352    0.160149809174
    0.001154399885    0.351340111643   -0.404611100641   -0.275431391548    0.147974108476
   -0.000943799906    0.048082301593    0.410835400650    0.413052587325   -0.247345014169
    0.000630399937    0.011366900377    0.749854601187    0.986382469731   -0.609792334931
   -0.000461899954   -0.006148200204    0.270014900427    0.190941794141   -0.122772807033
    0.000317599968    0.003919600130    0.001061600002   -0.923540671659    0.965008955278
   -0.000152199985   -0.001999400066    0.008223600013   -0.595841881715    0.853257948877
    0.000066899993    0.000896900030   -0.003142400005   -0.054198098337   -0.894314251229
   -0.000034799997   -0.000451700015    0.001403500002    0.004659999857   -0.759312543496
    0.000013799999    0.000180600006   -0.000571100001   -0.001587299951   -0.037414002143
   -0.000004200000   -0.000056700002    0.000184400000    0.000508199984   -0.003592300206
    0.000001000000    0.000013600000   -0.000043200000   -0.000099699997    0.000903700052
   -0.000000400000   -0.000005500000    0.000017400000    0.000040299999   -0.000379200022
   26    4
    1278.241220     318.527300      77.833364      16.018769
 513699160.000000000
  72421457.000000000
  14656467.000000000
   3626770.800000000
   1033739.100000000
    328733.080000000
    114502.160000000
     43192.758000000
     17522.322000000
      7571.817000000
      3457.325600000
      1654.561700000
       825.216100000
       426.981170000
       227.712040000
       123.677730000
        68.086756000
        37.999418000
        20.919841000
        11.374482000
         6.156415100
         3.185986500
         1.629123100
         0.737127070
         0.347296670
         0.142576020
    0.000005400000   -0.000002900000   -0.000001500000   -0.000000700000
    0.000017300000   -0.000009100000   -0.000004700000   -0.000002200000
    0.000047500000   -0.000025000001   -0.000012899999   -0.000006100000
    0.000119500001   -0.000063000002   -0.000032599999   -0.000015400001
    0.000286900002   -0.000151500004   -0.000078499997   -0.000037000001
    0.000673200004   -0.000356400009   -0.000184799992   -0.000087000003
    0.001574100009   -0.000836400021   -0.000434199981   -0.000204400008
    0.003695200021   -0.001973700051   -0.001025799956   -0.000483400018
    0.008756300050   -0.004711700121   -0.002452999895   -0.001155400043
    0.020863900118   -0.011349200292   -0.005925699746   -0.002796600105
    0.049025900278   -0.027129600697   -0.014222499390   -0.006708000251
    0.108519900614   -0.061676901585   -0.032566398604   -0.015421100578
    0.208445801180   -0.123003303161   -0.065557097189   -0.031026601162
    0.311351801763   -0.191089004911   -0.103104995580   -0.049176201842
    0.307307101740   -0.167003904292   -0.085245396345   -0.039546801482
    0.159426300903    0.083280402140    0.084605496373    0.044844701680
    0.029395000166    0.445950211461    0.380605383683    0.205024607682
    0.001489600008    0.444154311415    0.364017784394    0.184377006908
   -0.000290800002    0.148030803804   -0.232719790023   -0.186387506983
    0.000072700000    0.010445900268   -0.664258971522   -0.578129121661
   -0.000094400001    0.001155300030   -0.324296086097   -0.165023606183
    0.000059200000   -0.000563800014   -0.034051798540    0.650295924365
   -0.000022200000    0.000165100004   -0.000477299980    0.549399920584
    0.000011200000   -0.000087600002    0.000041199998    0.077902702919
   -0.000004700000    0.000037900001    0.000026799999   -0.002822200106
    0.000001100000   -0.000009200000   -0.000005300000    0.000606600023
   18    2
     253.465240      52.954426
     49771.507000000
     11053.506000000
      3578.198300000
      1429.370700000
       649.336760000
       320.596360000
       168.355030000
        91.705636000
        50.842652000
        27.986806000
        15.002607000
         8.004784700
         4.167399700
         2.109229900
         1.022658500
         0.433639140
         0.174162640
         0.062967716
    0.000060700000    0.000033600000
    0.000456900003    0.000253500000
    0.002477200017    0.001379099998
    0.010746000072    0.006026999991
    0.037691000253    0.021337699969
    0.104562900702    0.060288399912
    0.218394201466    0.126958699816
    0.331023302222    0.187089899728
    0.321100602155    0.127492999815
    0.160333601076   -0.164826899761
    0.029627500199   -0.467794499321
    0.001072800007   -0.393132299429
    0.000233400002   -0.112356499837
   -0.000072000000   -0.005999699991
    0.000029600000   -0.000290100000
   -0.000008300000    0.000212700000
    0.000003900000   -0.000054600000
   -0.000001000000    0.000018700000
   13    1
      26.702214
      1857.719400000
       625.838830000
       264.916410000
       126.381650000
        64.328107000
        34.317857000
        18.703377000
        10.310295000
         5.539087100
         4.393223000
         3.353148900
         1.725151900
         0.831617550
    0.000203100007
    0.001862900060
    0.010813200349
    0.042612401376
    0.118426503824
    0.233825907551
    0.321889810395
    0.309676610000
    0.220981807136
   -0.062964202033
    0.087167402815
    0.009679900313
    0.000222100007
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Th.AE.Paulovic.35s26p18d13f.7s5p4d2f.90e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32665313D+13 0.31047682D+12 0.48590502D+11 0.10009456D+11 0.25031167D+10 0.72698514D+09
 0.24149867D+09 0.86685553D+08 0.30891912D+08 0.10736438D+08 0.37214073D+07 0.13137931D+07
 0.47991737D+06 0.18460185D+06 0.75363794D+05 0.32757509D+05 0.15101935D+05 0.72573380D+04
 0.35784629D+04 0.18033247D+04 0.92423283D+03 0.46958726D+03 0.24308351D+03 0.12633571D+03
 0.70381385D+02 0.39224799D+02 0.21170957D+02 0.12267566D+02 0.68095844D+01 0.32113604D+01
 0.16377797D+01 0.75934977D+00 0.33378571D+00 0.76231452D-01 0.30634691D-01
 0.0000015 -0.0000006  0.0000003  0.0000002 -0.0000001  0.0000000  0.0000000 0.0 0.0 0.0 0.0
 0.0000060 -0.0000025  0.0000012  0.0000006 -0.0000003  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000177 -0.0000074  0.0000036  0.0000019 -0.0000009  0.0000004 -0.0000001 0.0 0.0 0.0 0.0
 0.0000442 -0.0000183  0.0000089  0.0000046 -0.0000023  0.0000010 -0.0000003 0.0 0.0 0.0 0.0
 0.0000979 -0.0000404  0.0000197  0.0000102 -0.0000050  0.0000022 -0.0000007 0.0 0.0 0.0 0.0
 0.0001955 -0.0000806  0.0000393  0.0000203 -0.0000099  0.0000043 -0.0000013 0.0 0.0 0.0 0.0
 0.0003581 -0.0001475  0.0000719  0.0000371 -0.0000181  0.0000079 -0.0000024 0.0 0.0 0.0 0.0
 0.0006720 -0.0002766  0.0001347  0.0000696 -0.0000339  0.0000148 -0.0000045 0.0 0.0 0.0 0.0
 0.0013343 -0.0005490  0.0002674  0.0001381 -0.0000674  0.0000293 -0.0000088 0.0 0.0 0.0 0.0
 0.0026508 -0.0010910  0.0005314  0.0002744 -0.0001338  0.0000583 -0.0000176 0.0 0.0 0.0 0.0
 0.0051430 -0.0021200  0.0010329  0.0005335 -0.0002602  0.0001133 -0.0000342 0.0 0.0 0.0 0.0
 0.0097189 -0.0040209  0.0019604  0.0010126 -0.0004939  0.0002151 -0.0000649 0.0 0.0 0.0 0.0
 0.0177103 -0.0073771  0.0036010  0.0018608 -0.0009077  0.0003953 -0.0001192 0.0 0.0 0.0 0.0
 0.0309096 -0.0130252  0.0063710  0.0032934 -0.0016065  0.0006996 -0.0002111 0.0 0.0 0.0 0.0
 0.0518479 -0.0222502  0.0109173  0.0056493 -0.0027571  0.0012011 -0.0003621 0.0 0.0 0.0 0.0
 0.0831422 -0.0366969  0.0180970  0.0093723 -0.0045730  0.0019915 -0.0006014 0.0 0.0 0.0 0.0
 0.1281268 -0.0589557  0.0292860  0.0152070 -0.0074312  0.0032391 -0.0009753 0.0 0.0 0.0 0.0
 0.1891234 -0.0927306  0.0466257  0.0242530 -0.0118405  0.0051549 -0.0015599 0.0 0.0 0.0 0.0
 0.2501766 -0.1344633  0.0687745  0.0360119 -0.0176548  0.0077063 -0.0023134 0.0 0.0 0.0 0.0
 0.2588503 -0.1540740  0.0805445  0.0422305 -0.0206147  0.0089611 -0.0027300 0.0 0.0 0.0 0.0
 0.1689898 -0.0691008  0.0307213  0.0156331 -0.0077394  0.0034253 -0.0009757 0.0 0.0 0.0 0.0
 0.0453843  0.2222506 -0.1780890 -0.1048631  0.0533112 -0.0235445  0.0069855 0.0 0.0 0.0 0.0
 0.0005814  0.5221146 -0.5098740 -0.3143599  0.1599300 -0.0701218  0.0214758 0.0 0.0 0.0 0.0
 0.0011514  0.3513256 -0.4045678 -0.2753858  0.1479238 -0.0665111  0.0194362 0.0 0.0 0.0 0.0
-0.0009410  0.0480773  0.4108304  0.4130635 -0.2473632  0.1144059 -0.0332659 0.0 0.0 0.0 0.0
 0.0006285  0.0113663  0.7498478  0.9860136 -0.6084339  0.2774204 -0.0872957 0.0 0.0 0.0 0.0
-0.0004605 -0.0061468  0.2700097  0.1913410 -0.1239065  0.0669073 -0.0150192 0.0 0.0 0.0 0.0
 0.0003167  0.0039196  0.0010621 -0.9233565  0.9653878 -0.5223227  0.1536560 0.0 0.0 0.0 0.0
-0.0001517 -0.0019989  0.0082235 -0.5962591  0.8501597 -0.4765744  0.1623066 0.0 0.0 0.0 0.0
 0.0000667  0.0008964 -0.0031399 -0.0540259 -0.8899947  0.7208145 -0.2591837 0.0 0.0 0.0 0.0
-0.0000346 -0.0004518  0.0014038  0.0045948 -0.7584905  0.9277041 -0.3113479 0.0 0.0 0.0 0.0
 0.0000137  0.0001808 -0.0005724 -0.0015863 -0.0406280 -0.5841405  0.2269156 1.0 0.0 0.0 0.0
-0.0000043 -0.0000568  0.0001862  0.0005010 -0.0034353 -0.9363714  0.6310853 0.0 1.0 0.0 0.0
 0.0000010  0.0000137 -0.0000438 -0.0000962  0.0008250 -0.0666858 -0.3412368 0.0 0.0 1.0 0.0
-0.0000003 -0.0000056  0.0000162  0.0000398 -0.0003352  0.0154913 -0.8608566 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50403531D+09 0.71937427D+08 0.14707036D+08 0.36476742D+07 0.10401546D+07 0.33006862D+06
 0.11478557D+06 0.43267532D+05 0.17529801D+05 0.75699437D+04 0.34545854D+04 0.16530048D+04
 0.82469367D+03 0.42712654D+03 0.22781286D+03 0.12357341D+03 0.67662396D+02 0.37601961D+02
 0.20697325D+02 0.11311797D+02 0.61489984D+01 0.31868836D+01 0.16105858D+01 0.69768148D+00
 0.32143152D+00 0.13160677D+00
 0.0000055 -0.0000029 -0.0000015 -0.0000007  0.0000003 0.0 0.0 0.0 0.0
 0.0000172 -0.0000091 -0.0000047 -0.0000022  0.0000009 0.0 0.0 0.0 0.0
 0.0000472 -0.0000248 -0.0000129 -0.0000060  0.0000024 0.0 0.0 0.0 0.0
 0.0001189 -0.0000627 -0.0000325 -0.0000153  0.0000060 0.0 0.0 0.0 0.0
 0.0002857 -0.0001509 -0.0000782 -0.0000367  0.0000144 0.0 0.0 0.0 0.0
 0.0006724 -0.0003560 -0.0001846 -0.0000868  0.0000341 0.0 0.0 0.0 0.0
 0.0015715 -0.0008351 -0.0004334 -0.0002037  0.0000801 0.0 0.0 0.0 0.0
 0.0036937 -0.0019728 -0.0010253 -0.0004823  0.0001895 0.0 0.0 0.0 0.0
 0.0087620 -0.0047150 -0.0024544 -0.0011543  0.0004539 0.0 0.0 0.0 0.0
 0.0208863 -0.0113606 -0.0059317 -0.0027946  0.0010983 0.0 0.0 0.0 0.0
 0.0490931 -0.0271700 -0.0142414 -0.0067072  0.0026387 0.0 0.0 0.0 0.0
 0.1086406 -0.0617404 -0.0326023 -0.0154105  0.0060585 0.0 0.0 0.0 0.0
 0.2083239 -0.1229595 -0.0655183 -0.0309666  0.0121982 0.0 0.0 0.0 0.0
 0.3109247 -0.1907583 -0.1029485 -0.0490016  0.0192713 0.0 0.0 0.0 0.0
 0.3076730 -0.1674643 -0.0854369 -0.0396312  0.0156197 0.0 0.0 0.0 0.0
 0.1597517  0.0849286  0.0857065  0.0454772 -0.0185289 0.0 0.0 0.0 0.0
 0.0292241  0.4525599  0.3869655  0.2078359 -0.0835475 0.0 0.0 0.0 0.0
 0.0012557  0.4418385  0.3585960  0.1811467 -0.0730621 0.0 0.0 0.0 0.0
-0.0002111  0.1426642 -0.2426988 -0.1935421  0.0857413 0.0 0.0 0.0 0.0
 0.0000283  0.0101749 -0.6588487 -0.5722399  0.2544616 0.0 0.0 0.0 0.0
-0.0000676  0.0009895 -0.3216537 -0.1638678  0.0608823 0.0 0.0 0.0 0.0
 0.0000436 -0.0004508 -0.0340673  0.6530326 -0.4166814 0.0 0.0 0.0 0.0
-0.0000135  0.0000982 -0.0005374  0.5532181 -0.3702480 1.0 0.0 0.0 0.0
 0.0000071 -0.0000565  0.0000384  0.0732776  0.4122759 0.0 1.0 0.0 0.0
-0.0000031  0.0000251  0.0000195 -0.0038421  0.6603260 0.0 0.0 1.0 0.0
 0.0000008 -0.0000062  0.0000000  0.0009912  0.1852227 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.41973409D+05 0.10775388D+05 0.35981590D+04 0.14488325D+04 0.65962817D+03 0.32474572D+03
 0.16909981D+03 0.91285422D+02 0.50380712D+02 0.27761104D+02 0.14910281D+02 0.79460416D+01
 0.40653089D+01 0.20218466D+01 0.94490733D+00 0.36076422D+00 0.13243647D+00 0.44559695D-01
 0.0000703  0.0000389  0.0000166 -0.0000039 0.0 0.0 0.0 0.0
 0.0004511  0.0002503  0.0001074 -0.0000255 0.0 0.0 0.0 0.0
 0.0024220  0.0013483  0.0005773 -0.0001361 0.0 0.0 0.0 0.0
 0.0104335  0.0058504  0.0025171 -0.0005983 0.0 0.0 0.0 0.0
 0.0367017  0.0207713  0.0089244 -0.0021043 0.0 0.0 0.0 0.0
 0.1035502  0.0596749  0.0258420 -0.0061523 0.0 0.0 0.0 0.0
 0.2208393  0.1283958  0.0554367 -0.0130547 0.0 0.0 0.0 0.0
 0.3357343  0.1895553  0.0819609 -0.0196139 0.0 0.0 0.0 0.0
 0.3202590  0.1252450  0.0452798 -0.0099992 0.0 0.0 0.0 0.0
 0.1570870 -0.1693590 -0.1051901  0.0252464 0.0 0.0 0.0 0.0
 0.0290220 -0.4678352 -0.2694980  0.0678722 0.0 0.0 0.0 0.0
 0.0009677 -0.3939242 -0.1681066  0.0358103 0.0 0.0 0.0 0.0
 0.0002583 -0.1091751  0.2986034 -0.0857223 0.0 0.0 0.0 0.0
-0.0000904 -0.0038880  0.5667545 -0.1823790 0.0 0.0 0.0 0.0
 0.0000329 -0.0006133  0.2967560 -0.0069626 1.0 0.0 0.0 0.0
-0.0000100  0.0002931  0.0315480  0.3544768 0.0 1.0 0.0 0.0
 0.0000041 -0.0000973 -0.0018447  0.5331169 0.0 0.0 1.0 0.0
-0.0000012  0.0000310  0.0006608  0.3198390 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.14637149D+04 0.54918563D+03 0.25830377D+03 0.12881563D+03 0.65078746D+02 0.33617001D+02
 0.17434089D+02 0.89703815D+01 0.44671897D+01 0.86679767D+00 0.20320836D+01 0.33485906D+00
 0.10866347D+00
-0.0003298  0.0000876 0.0 0.0 0.0
-0.0022001  0.0005873 0.0 0.0 0.0
-0.0102738  0.0027423 0.0 0.0 0.0
-0.0404037  0.0108243 0.0 0.0 0.0
-0.1205904  0.0323901 0.0 0.0 0.0
-0.2536932  0.0671198 0.0 0.0 0.0
-0.3596211  0.0874197 0.0 0.0 0.0
-0.3266203  0.0510836 0.0 0.0 0.0
-0.1564718 -0.1056925 0.0 0.0 0.0
 0.0004213 -0.4229769 0.0 0.0 0.0
-0.0244879 -0.3214023 1.0 0.0 0.0
-0.0003103 -0.3431838 0.0 1.0 0.0
 0.0000753 -0.1702335 0.0 0.0 1.0
*
End

*
/Pa.ECP.Paulovic.14s10p12d9f.2s1p2d1f.23e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on PaQR(6L)
*
 23.000000         3

* S-type functions
   14    6
   8560763.612000000
    767883.776700000
     94298.415250000
     15490.228950000
      3224.761894000
       259.852026700
        43.730304040
        10.360744340
         2.441181148
         1.186997259
         0.537228471
         0.238744511
         0.075285093
         0.027074904
      0.000166363590     -0.000046366987 0.0 0.0 0.0 0.0
      0.000672824000     -0.000187525040 0.0 0.0 0.0 0.0
      0.002347739200     -0.000654333220 0.0 0.0 0.0 0.0
      0.007189611800     -0.002004006900 0.0 0.0 0.0 0.0
      0.016815490000     -0.004686682200 0.0 0.0 0.0 0.0
     -0.109283950000      0.030510926000 0.0 0.0 0.0 0.0
      0.352889920000     -0.099286250000 0.0 0.0 0.0 0.0
     -0.780135100000      0.225533890000 0.0 0.0 0.0 0.0
      1.162587700000     -0.376608550000 0.0 0.0 0.0 0.0
      0.202209290000     -0.046187582000 0.0 0.0 0.0 0.0
     -0.978983500000      0.393094950000 1.0 0.0 0.0 0.0
     -0.464505440000      0.423981480000 0.0 1.0 0.0 0.0
     -0.008369333300     -0.449766880000 0.0 0.0 1.0 0.0
     -0.001250416100     -0.807330230000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
      9330.286769000
      1737.631232000
       477.431002100
        64.048842630
        12.379357020
         2.949241031
         1.905898247
         0.541744204
         0.251905526
         0.105724452
      0.002046960300 0.0 0.0 0.0 0.0
      0.011289058000 0.0 0.0 0.0 0.0
      0.032211355000 0.0 0.0 0.0 0.0
     -0.126111930000 0.0 0.0 0.0 0.0
      0.312728420000 0.0 0.0 0.0 0.0
     -0.399034080000 0.0 0.0 0.0 0.0
     -0.246348730000 1.0 0.0 0.0 0.0
      0.577901230000 0.0 1.0 0.0 0.0
      0.503811450000 0.0 0.0 1.0 0.0
      0.098645291000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1003.533710000
       281.748718100
       101.026430000
        18.139944990
         7.933396551
         4.689001049
         2.118652298
         0.981532092
         0.503485936
         0.272812109
         0.098932810
         0.031784425
      0.009086245100     -0.001768875800 0.0 0.0 0.0 0.0
      0.054531049000     -0.010699446000 0.0 0.0 0.0 0.0
      0.127821620000     -0.024766619000 0.0 0.0 0.0 0.0
     -0.311276370000      0.064147189000 0.0 0.0 0.0 0.0
     -0.271412800000      0.051808290000 0.0 0.0 0.0 0.0
      0.348119620000     -0.080955971000 0.0 0.0 0.0 0.0
      0.594348840000     -0.154893050000 0.0 0.0 0.0 0.0
      0.278859930000     -0.009735551200 0.0 0.0 0.0 0.0
      0.029837739000      0.096657428000 1.0 0.0 0.0 0.0
      0.010179823000      0.303700950000 0.0 1.0 0.0 0.0
     -0.000884005120      0.499589020000 0.0 0.0 1.0 0.0
      0.000351170840      0.355733690000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       274.661708700
        92.244553200
        37.243014630
        15.946173300
         3.199825402
         1.425141859
         0.608153944
         0.237638642
         0.079428041
     -0.004730377200 0.0 0.0 0.0
     -0.029759975000 0.0 0.0 0.0
     -0.086151456000 0.0 0.0 0.0
     -0.113559110000 0.0 0.0 0.0
      0.227973670000 0.0 0.0 0.0
      0.384782330000 0.0 0.0 0.0
      0.375956110000 1.0 0.0 0.0
      0.256870610000 0.0 1.0 0.0
      0.106692500000 0.0 0.0 1.0
*
* Core AIMP:Pa DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    678164.440000000
    164954.613000000
     56044.411700000
     20648.179100000
      7984.494090000
      3123.862420000
      1278.949570000
       595.630376000
       219.050517000
       112.696796000
        23.656931100
        14.064565300
         5.628574190
         3.370965700
         1.917520500
      0.035404692483
      0.027628382904
      0.042260365877
      0.061413265885
      0.080792809045
      0.105820186106
      0.183149527409
      0.223778299904
      0.191748399917
      0.567134851355
      0.733671749805
      0.304544598921
      0.263994275104
      0.126454460697
      0.008725873719
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    8339.769600    1565.304240     399.844080     104.458726      24.032560
 3266531300000.000000000
  310476820000.000000000
   48590502000.000000000
   10009456000.000000000
    2496617700.000000000
     724716860.000000000
     241498670.000000000
      86685553.000000000
      30891912.000000000
      10737389.000000000
       3721407.300000000
       1313745.000000000
        479917.370000000
        184601.850000000
         75356.435000000
         32757.509000000
         15103.318000000
          7258.206700000
          3578.987100000
          1803.324700000
           924.238470000
           469.588690000
           243.086110000
           126.335800000
            70.381385000
            39.225458000
            21.170961000
            12.267199000
             6.809584400
             3.211615200
             1.637754700
             0.759349180
             0.333786080
             0.076231056
             0.030633838
    0.000001600000   -0.000000700000    0.000000300000    0.000000200000   -0.000000100000
    0.000006600000   -0.000002800000    0.000001300000    0.000000700000   -0.000000300000
    0.000019199999   -0.000007999999    0.000003900001    0.000002000000   -0.000001000000
    0.000047799998   -0.000019899999    0.000009700001    0.000005000000   -0.000002500000
    0.000105499995   -0.000043899997    0.000021400003    0.000011100001   -0.000005400000
    0.000209299991   -0.000086799994    0.000042400006    0.000021900001   -0.000010800000
    0.000381299984   -0.000157999989    0.000077100011    0.000039900002   -0.000019600000
    0.000715199969   -0.000296099979    0.000144400021    0.000074800004   -0.000036699999
    0.001414399939   -0.000585199959    0.000285400041    0.000147800007   -0.000072599998
    0.002801399879   -0.001159399919    0.000565500081    0.000292800014   -0.000143899996
    0.005416599766   -0.002245099843    0.001095400156    0.000567200027   -0.000278799993
    0.010198699559   -0.004242899704    0.002071500295    0.001072800051   -0.000527199987
    0.018512199199   -0.007754799458    0.003790600540    0.001963800093   -0.000965299976
    0.032182998608   -0.013640999047    0.006681600953    0.003462900164   -0.001701999957
    0.053742897676   -0.023204298379    0.011402301625    0.005915900280   -0.002909499927
    0.085719196293   -0.038079997340    0.018808102681    0.009766200462   -0.004800999880
    0.131311994321   -0.060841895750    0.030274804316    0.015763400746   -0.007764199806
    0.192306191683   -0.094989893365    0.047846606821    0.024954001180   -0.012271099693
    0.251625789118   -0.136164990489    0.069778409947    0.036644201733   -0.018117199547
    0.256074588926   -0.152365489357    0.079651511355    0.041840401979   -0.020543399486
    0.162594292968   -0.058868595888    0.024201403450    0.012084300572   -0.006098699848
    0.041696898197    0.240679583189   -0.194174427681   -0.114916405436    0.059059598523
    0.000381699983    0.524907463336   -0.519598274072   -0.322281715245    0.165061095873
    0.001034799955    0.334201676656   -0.376856453723   -0.258171012213    0.141244696469
   -0.000843399964    0.041137597127    0.455016664865    0.465148022004   -0.283926792901
    0.000556499976    0.010455099270    0.734541004713    0.980874646400   -0.608175384794
   -0.000405199982   -0.005818999594    0.244348534833    0.114032705394   -0.078617698034
    0.000278899988    0.003675999743   -0.000447200064   -0.948875344886    1.050349573739
   -0.000133399994   -0.001864499870    0.007222001030   -0.547656725907    0.756387581088
    0.000058499997    0.000836699942   -0.002796400399   -0.042527802012   -0.982342375439
   -0.000030399999   -0.000420899971    0.001234900176    0.002979800141   -0.679756483004
    0.000011999999    0.000168099988   -0.000500000071   -0.000982600046   -0.029476499263
   -0.000003700000   -0.000052799996    0.000161500023    0.000323300015   -0.003124599922
    0.000000900000    0.000012699999   -0.000037800005   -0.000058300003    0.000707399982
   -0.000000400000   -0.000005100000    0.000015200002    0.000023600001   -0.000296299993
   26    4
    1313.489300     328.631780      80.745194      16.525059
 511555430.000000000
  72013448.000000000
  14731866.000000000
   3618831.600000000
   1031651.000000000
    328474.110000000
    114393.350000000
     43203.876000000
     17519.478000000
      7570.364500000
      3458.905800000
      1654.004900000
       825.222970000
       427.016210000
       227.436930000
       123.703130000
        68.182918000
        37.992905000
        20.963068000
        11.382522000
         6.158066800
         3.183791100
         1.623824700
         0.747612050
         0.347215790
         0.143390470
    0.000005800000   -0.000003100000   -0.000001600000   -0.000000800000
    0.000018300000   -0.000009700000   -0.000005000000   -0.000002400000
    0.000050200000   -0.000026500001   -0.000013799999   -0.000006500000
    0.000127400000   -0.000067300003   -0.000034999997   -0.000016600000
    0.000303200000   -0.000160500008   -0.000083399992   -0.000039600000
    0.000711399999   -0.000377500018   -0.000196399981   -0.000093199999
    0.001658499998   -0.000883400043   -0.000460099956   -0.000218199998
    0.003880399994   -0.002077500101   -0.001083299896   -0.000514199996
    0.009190199987   -0.004957900240   -0.002590399752   -0.001229299990
    0.021774699968   -0.011877800576   -0.006222499403   -0.002958199977
    0.050990499926   -0.028303901373   -0.014894498571   -0.007078599944
    0.112313799837   -0.064055703107   -0.033940396744   -0.016189699872
    0.213309399690   -0.126328906127   -0.067610893515   -0.032249199745
    0.314991199543   -0.193691409395   -0.104799089948   -0.050338799601
    0.303482499559   -0.161161807817   -0.081702292163   -0.038069999699
    0.151057799781    0.100404204870    0.097746790624    0.052142799587
    0.026813799961    0.458034922216    0.393558162251    0.213835798307
    0.001056099998    0.432649220985    0.349038766521    0.176651098602
   -0.000140800000    0.135155906555   -0.269527474147   -0.214569798301
   -0.000027400000    0.009550200463   -0.666698536051   -0.594424395294
   -0.000028300000    0.000596100029   -0.298530971365   -0.111567299117
    0.000024300000   -0.000310700015   -0.028219097293    0.688327794551
   -0.000005600000    0.000045500002   -0.000370099965    0.505315096000
    0.000003800000   -0.000033600002    0.000013999999    0.064825499487
   -0.000001500000    0.000014200001    0.000031599997   -0.000566099996
    0.000000400000   -0.000003600000   -0.000008799999    0.000202899998
   18    2
     261.562560      55.079286
     38409.563000000
      9691.397400000
      3420.029000000
      1430.645600000
       658.022000000
       322.264260000
       166.577570000
        89.902299000
        50.468770000
        28.934401000
        16.201400000
         8.941832200
         4.768673700
         2.445101600
         1.195129600
         0.525590860
         0.201453630
         0.068888718
    0.000088499996    0.000049199995
    0.000551899977    0.000307999969
    0.002652799887    0.001485099853
    0.010939399535    0.006170499388
    0.038631998360    0.021991997818
    0.110228095319    0.063933793656
    0.232551190125    0.135877586516
    0.337841185654    0.190520781094
    0.299904587265    0.111813288904
    0.148784793682   -0.152049784911
    0.033829698563   -0.428743057454
    0.001227499948   -0.408060259506
    0.000543899977   -0.142264085882
   -0.000220999991   -0.011140598894
    0.000089099996   -0.000394799961
   -0.000033699999    0.000210799979
    0.000011200000   -0.000040399996
   -0.000003600000    0.000020899998
   13    1
      28.171286
      3250.819100000
       798.952770000
       304.437160000
       138.049920000
        67.860968000
        35.045052000
        18.387982000
         9.604878000
         4.841439100
         2.225585300
         0.972337580
         0.393883830
         0.139421580
   -0.000086099994
   -0.001338399903
   -0.009318099326
   -0.040728197054
   -0.121333191225
   -0.250724581866
   -0.352277974521
   -0.326268576402
   -0.162862188221
   -0.027009198047
    0.000402699971
   -0.000395499971
    0.000090199993
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Pa.AE.Paulovic.35s26p18d13f.7s5p4d2f.91e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32665313D+13 0.31047682D+12 0.48590502D+11 0.10009456D+11 0.24966177D+10 0.72471686D+09
 0.24149867D+09 0.86685553D+08 0.30892530D+08 0.10737389D+08 0.37214073D+07 0.13137408D+07
 0.47991864D+06 0.18460185D+06 0.75356435D+05 0.32757509D+05 0.15101042D+05 0.72551710D+04
 0.35789871D+04 0.18033247D+04 0.92414822D+03 0.46960947D+03 0.24308611D+03 0.12634241D+03
 0.70381385D+02 0.39225490D+02 0.21170703D+02 0.12267269D+02 0.68108962D+01 0.32109992D+01
 0.16377547D+01 0.75934686D+00 0.33379423D+00 0.76230059D-01 0.30565802D-01
 0.0000016 -0.0000007  0.0000003  0.0000002 -0.0000001  0.0000000  0.0000000 0.0 0.0 0.0 0.0
 0.0000066 -0.0000028  0.0000013  0.0000007 -0.0000003  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000192 -0.0000080  0.0000039  0.0000020 -0.0000010  0.0000004 -0.0000001 0.0 0.0 0.0 0.0
 0.0000478 -0.0000199  0.0000097  0.0000050 -0.0000025  0.0000011 -0.0000003 0.0 0.0 0.0 0.0
 0.0001055 -0.0000439  0.0000214  0.0000111 -0.0000054  0.0000024 -0.0000007 0.0 0.0 0.0 0.0
 0.0002093 -0.0000868  0.0000424  0.0000219 -0.0000108  0.0000047 -0.0000013 0.0 0.0 0.0 0.0
 0.0003813 -0.0001580  0.0000771  0.0000399 -0.0000196  0.0000085 -0.0000024 0.0 0.0 0.0 0.0
 0.0007152 -0.0002961  0.0001444  0.0000748 -0.0000367  0.0000159 -0.0000044 0.0 0.0 0.0 0.0
 0.0014144 -0.0005852  0.0002854  0.0001478 -0.0000726  0.0000314 -0.0000088 0.0 0.0 0.0 0.0
 0.0028014 -0.0011594  0.0005655  0.0002928 -0.0001438  0.0000622 -0.0000173 0.0 0.0 0.0 0.0
 0.0054166 -0.0022452  0.0010954  0.0005672 -0.0002785  0.0001206 -0.0000336 0.0 0.0 0.0 0.0
 0.0101986 -0.0042429  0.0020715  0.0010727 -0.0005267  0.0002280 -0.0000636 0.0 0.0 0.0 0.0
 0.0185123 -0.0077549  0.0037906  0.0019637 -0.0009645  0.0004175 -0.0001164 0.0 0.0 0.0 0.0
 0.0321826 -0.0136409  0.0066815  0.0034626 -0.0017005  0.0007361 -0.0002053 0.0 0.0 0.0 0.0
 0.0537442 -0.0232051  0.0114027  0.0059156 -0.0029071  0.0012585 -0.0003506 0.0 0.0 0.0 0.0
 0.0857176 -0.0380791  0.0188076  0.0097652 -0.0047967  0.0020763 -0.0005796 0.0 0.0 0.0 0.0
 0.1313901 -0.0608802  0.0302940  0.0157723 -0.0077627  0.0033620 -0.0009352 0.0 0.0 0.0 0.0
 0.1923205 -0.0949990  0.0478511  0.0249545 -0.0122612  0.0053071 -0.0014851 0.0 0.0 0.0 0.0
 0.2514785 -0.1360925  0.0697419  0.0366226 -0.0180941  0.0078450 -0.0021741 0.0 0.0 0.0 0.0
 0.2561850 -0.1524183  0.0796769  0.0418502 -0.0205287  0.0088784 -0.0025063 0.0 0.0 0.0 0.0
 0.1625243 -0.0588407  0.0241890  0.0120781 -0.0060988  0.0026686 -0.0006766 0.0 0.0 0.0 0.0
 0.0417284  0.2406544 -0.1941603 -0.1149012  0.0590238 -0.0258485  0.0070664 0.0 0.0 0.0 0.0
 0.0003479  0.5249523 -0.5196325 -0.3222744  0.1648868 -0.0720070  0.0204495 0.0 0.0 0.0 0.0
 0.0010699  0.3341338 -0.3767706 -0.2580901  0.1411883 -0.0628907  0.0167634 0.0 0.0 0.0 0.0
-0.0008764  0.0412156  0.4549268  0.4650649 -0.2838701  0.1297850 -0.0346454 0.0 0.0 0.0 0.0
 0.0005830  0.0103979  0.7345978  0.9806556 -0.6071127  0.2768079 -0.0812781 0.0 0.0 0.0 0.0
-0.0004254 -0.0057760  0.2443008  0.1142766 -0.0795484  0.0434392 -0.0056916 0.0 0.0 0.0 0.0
 0.0002930  0.0036473 -0.0004228 -0.9485632  1.0505349 -0.5662996  0.1521324 0.0 0.0 0.0 0.0
-0.0001404 -0.0018498  0.0072080 -0.5480436  0.7536861 -0.4230454  0.1373466 0.0 0.0 0.0 0.0
 0.0000615  0.0008295 -0.0027833 -0.0424883 -0.9783036  0.8172066 -0.2743029 0.0 0.0 0.0 0.0
-0.0000320 -0.0004175  0.0012308  0.0029736 -0.6794758  0.8175179 -0.2398030 0.0 0.0 0.0 0.0
 0.0000127  0.0001667 -0.0005008 -0.0009949 -0.0319324 -0.6235375  0.2061147 1.0 0.0 0.0 0.0
-0.0000038 -0.0000524  0.0001601  0.0003224 -0.0030015 -0.8901411  0.5694687 0.0 1.0 0.0 0.0
 0.0000009  0.0000126 -0.0000378 -0.0000602  0.0006377 -0.0634417 -0.2367161 0.0 0.0 1.0 0.0
-0.0000004 -0.0000050  0.0000152  0.0000231 -0.0002593  0.0149864 -0.9348661 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50683531D+09 0.72578381D+08 0.14746911D+08 0.36420605D+07 0.10371738D+07 0.32957919D+06
 0.11459138D+06 0.43243773D+05 0.17521778D+05 0.75672441D+04 0.34547545D+04 0.16529254D+04
 0.82525130D+03 0.42730208D+03 0.22783027D+03 0.12392134D+03 0.67979765D+02 0.37754035D+02
 0.20726613D+02 0.11328122D+02 0.61499357D+01 0.32211231D+01 0.16411022D+01 0.72409970D+00
 0.32923106D+00 0.13455275D+00
 0.0000058 -0.0000031 -0.0000016 -0.0000008  0.0000003 0.0 0.0 0.0 0.0
 0.0000182 -0.0000096 -0.0000050 -0.0000024  0.0000009 0.0 0.0 0.0 0.0
 0.0000501 -0.0000265 -0.0000137 -0.0000065  0.0000025 0.0 0.0 0.0 0.0
 0.0001264 -0.0000668 -0.0000347 -0.0000164  0.0000064 0.0 0.0 0.0 0.0
 0.0003026 -0.0001602 -0.0000833 -0.0000394  0.0000152 0.0 0.0 0.0 0.0
 0.0007105 -0.0003770 -0.0001961 -0.0000929  0.0000359 0.0 0.0 0.0 0.0
 0.0016578 -0.0008830 -0.0004598 -0.0002178  0.0000842 0.0 0.0 0.0 0.0
 0.0038805 -0.0020775 -0.0010833 -0.0005135  0.0001985 0.0 0.0 0.0 0.0
 0.0091939 -0.0049603 -0.0025912 -0.0012281  0.0004750 0.0 0.0 0.0 0.0
 0.0218099 -0.0118955 -0.0062324 -0.0029587  0.0011438 0.0 0.0 0.0 0.0
 0.0510743 -0.0283566 -0.0149186 -0.0070815  0.0027404 0.0 0.0 0.0 0.0
 0.1122557 -0.0640092 -0.0339229 -0.0161578  0.0062485 0.0 0.0 0.0 0.0
 0.2131503 -0.1262786 -0.0675563 -0.0321868  0.0124720 0.0 0.0 0.0 0.0
 0.3144634 -0.1932436 -0.1046123 -0.0501665  0.0194065 0.0 0.0 0.0 0.0
 0.3032640 -0.1616128 -0.0818565 -0.0381439  0.0147817 0.0 0.0 0.0 0.0
 0.1518974  0.1006106  0.0975347  0.0520738 -0.0208415 0.0 0.0 0.0 0.0
 0.0269242  0.4621912  0.3983288  0.2159108 -0.0854266 0.0 0.0 0.0 0.0
 0.0009219  0.4322566  0.3441599  0.1737117 -0.0688330 0.0 0.0 0.0 0.0
-0.0001034  0.1321345 -0.2767935 -0.2206465  0.0960337 0.0 0.0 0.0 0.0
-0.0000427  0.0083323 -0.6614366 -0.5874568  0.2579920 0.0 0.0 0.0 0.0
-0.0000206  0.0009645 -0.2960250 -0.1149596  0.0340453 0.0 0.0 0.0 0.0
 0.0000202 -0.0004751 -0.0280653  0.6748714 -0.4257051 0.0 0.0 0.0 0.0
-0.0000032  0.0001095 -0.0008886  0.5210851 -0.3355051 1.0 0.0 0.0 0.0
 0.0000027 -0.0000590  0.0001522  0.0684371  0.4013173 0.0 1.0 0.0 0.0
-0.0000011  0.0000247 -0.0000308 -0.0024914  0.6555175 0.0 0.0 1.0 0.0
 0.0000003 -0.0000063  0.0000104  0.0008189  0.1969843 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.49343637D+05 0.11055919D+05 0.36342690D+04 0.14732944D+04 0.66994902D+03 0.32637150D+03
 0.16654151D+03 0.87310209D+02 0.46749432D+02 0.25025689D+02 0.13264102D+02 0.70291717D+01
 0.36566678D+01 0.18394278D+01 0.86717356D+00 0.32302620D+00 0.11105883D+00 0.34858517D-01
 0.0000652  0.0000362  0.0000157 -0.0000030 0.0 0.0 0.0 0.0
 0.0004802  0.0002680  0.0001161 -0.0000227 0.0 0.0 0.0 0.0
 0.0025047  0.0014008  0.0006058 -0.0001177 0.0 0.0 0.0 0.0
 0.0106158  0.0059902  0.0026027 -0.0005090 0.0 0.0 0.0 0.0
 0.0378017  0.0214952  0.0093302 -0.0018134 0.0 0.0 0.0 0.0
 0.1092862  0.0634159  0.0277323 -0.0054300 0.0 0.0 0.0 0.0
 0.2401363  0.1401460  0.0611526 -0.0118820 0.0 0.0 0.0 0.0
 0.3626643  0.2039629  0.0886998 -0.0174179 0.0 0.0 0.0 0.0
 0.3134339  0.0931174  0.0277214 -0.0047644 0.0 0.0 0.0 0.0
 0.1244631 -0.2553575 -0.1530894  0.0305100 0.0 0.0 0.0 0.0
 0.0154161 -0.5004989 -0.2906844  0.0600573 0.0 0.0 0.0 0.0
 0.0008459 -0.3179749 -0.0769984  0.0090351 0.0 0.0 0.0 0.0
-0.0001357 -0.0641287  0.3965904 -0.0932847 0.0 0.0 0.0 0.0
 0.0000690 -0.0022877  0.5283998 -0.1393016 0.0 0.0 0.0 0.0
-0.0000330 -0.0000085  0.2280695  0.0350412 1.0 0.0 0.0 0.0
 0.0000102  0.0000430  0.0204726  0.3204142 0.0 1.0 0.0 0.0
-0.0000040 -0.0000079 -0.0010510  0.5032169 0.0 0.0 1.0 0.0
 0.0000012  0.0000026  0.0004119  0.4003743 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.18326999D+04 0.65170132D+03 0.28655518D+03 0.13783949D+03 0.69029999D+02 0.35401153D+02
 0.18172589D+02 0.92426026D+01 0.45491195D+01 0.20406649D+01 0.86408513D+00 0.33310525D+00
 0.10802462D+00
-0.0002189 -0.0000593 0.0 0.0 0.0
-0.0017309 -0.0004729 0.0 0.0 0.0
-0.0095246 -0.0025953 0.0 0.0 0.0
-0.0389142 -0.0106681 0.0 0.0 0.0
-0.1176763 -0.0322841 0.0 0.0 0.0
-0.2546841 -0.0690350 0.0 0.0 0.0
-0.3675132 -0.0910918 0.0 0.0 0.0
-0.3311742 -0.0510598 0.0 0.0 0.0
-0.1499994  0.1216442 0.0 0.0 0.0
-0.0205920  0.3407912 0.0 0.0 0.0
 0.0003685  0.4165319 1.0 0.0 0.0
-0.0002715  0.3273869 0.0 1.0 0.0
 0.0000520  0.1644324 0.0 0.0 1.0
*
End

*
/U.ECP.Paulovic.14s10p12d9f.2s1p2d1f.24e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on UQR(5L)
*
 24.000000         3

* S-type functions
   14    6
   9847880.915999999
    909933.734000000
    120564.143200000
     18187.346340000
      3508.176938000
       267.511511200
        45.242812060
        10.739089440
         2.646124613
         1.748329362
         0.569749441
         0.272739831
         0.066545675
         0.028288715
      0.000167798820     -0.000049848403 0.0 0.0 0.0 0.0
      0.000628228850     -0.000186633030 0.0 0.0 0.0 0.0
      0.002189109000     -0.000650320150 0.0 0.0 0.0 0.0
      0.007243198400     -0.002151979900 0.0 0.0 0.0 0.0
      0.017710340000     -0.005261281000 0.0 0.0 0.0 0.0
     -0.113077960000      0.033654641000 0.0 0.0 0.0 0.0
      0.366567360000     -0.110001690000 0.0 0.0 0.0 0.0
     -0.815200050000      0.251752650000 0.0 0.0 0.0 0.0
      1.052539300000     -0.361274490000 0.0 0.0 0.0 0.0
      0.315706460000     -0.112364650000 0.0 0.0 0.0 0.0
     -0.934941990000      0.481522020000 1.0 0.0 0.0 0.0
     -0.475338730000      0.351885550000 0.0 1.0 0.0 0.0
     -0.014469900000     -0.645606750000 0.0 0.0 1.0 0.0
      0.003224309800     -0.583438940000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
      9603.431746000
      1787.982541000
       491.780222600
        65.929966500
        12.797790840
         3.138990773
         2.085651431
         0.570282983
         0.264590944
         0.108361512
      0.002178964800 0.0 0.0 0.0 0.0
      0.011888928000 0.0 0.0 0.0 0.0
      0.033781956000 0.0 0.0 0.0 0.0
     -0.132696730000 0.0 0.0 0.0 0.0
      0.330356280000 0.0 0.0 0.0 0.0
     -0.386866720000 0.0 0.0 0.0 0.0
     -0.285161550000 1.0 0.0 0.0 0.0
      0.619983210000 0.0 1.0 0.0 0.0
      0.482114220000 0.0 0.0 1.0 0.0
      0.079492221000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1038.979475000
       290.736000200
       104.133592800
        18.673624840
         8.166427750
         4.771884078
         2.183059982
         1.033053975
         0.498283410
         0.237063853
         0.104946960
         0.042645184
      0.009208021200     -0.002521719700 0.0 0.0 0.0 0.0
      0.055472458000     -0.015328946000 0.0 0.0 0.0 0.0
      0.130559890000     -0.035559324000 0.0 0.0 0.0 0.0
     -0.320402740000      0.093308217000 0.0 0.0 0.0 0.0
     -0.269376120000      0.073136716000 0.0 0.0 0.0 0.0
      0.367048980000     -0.125568640000 0.0 0.0 0.0 0.0
      0.589445610000     -0.217021060000 0.0 0.0 0.0 0.0
      0.264774420000     -0.008102543300 0.0 0.0 0.0 0.0
      0.033205063000      0.271218830000 1.0 0.0 0.0 0.0
      0.003073659100      0.426580780000 0.0 1.0 0.0 0.0
     -0.000847527470      0.373878140000 0.0 0.0 1.0 0.0
      0.000078638119      0.129274800000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       286.654827000
        95.954996220
        38.737514510
        16.607727850
         3.517939751
         1.674943412
         0.774757336
         0.335084854
         0.127907230
     -0.005173357300 0.0 0.0 0.0
     -0.032913391000 0.0 0.0 0.0
     -0.095876965000 0.0 0.0 0.0
     -0.126110020000 0.0 0.0 0.0
      0.227349740000 0.0 0.0 0.0
      0.375150510000 0.0 0.0 0.0
      0.367271730000 1.0 0.0 0.0
      0.238984880000 0.0 1.0 0.0
      0.082857563000 0.0 0.0 1.0
*
* Core AIMP:U DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    673569.770000000
    163031.772000000
     55171.931400000
     20274.340700000
      7854.403830000
      3090.946970000
      1281.245920000
       602.082027000
       221.283787000
       115.717603000
        24.040684000
        13.212383600
         5.179067060
         2.756668260
      0.034761883958
      0.027227889342
      0.041621204216
      0.060000834933
      0.077937219443
      0.102463213722
      0.177566001061
      0.210376916346
      0.186862897416
      0.538392319393
      0.754201214870
      0.265255061276
      0.298254967836
      0.058411709522
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    8564.014800    1613.855080     413.712100     108.795422      25.212790
 3266531300000.000000000
  310476820000.000000000
   48590502000.000000000
   10009456000.000000000
    2496617700.000000000
     724716860.000000000
     241498670.000000000
      86685553.000000000
      30894257.000000000
      10739020.000000000
       3724315.800000000
       1313745.000000000
        479916.480000000
        184600.810000000
         75352.579000000
         32757.509000000
         15104.669000000
          7259.624400000
          3578.987100000
          1803.324700000
           924.249870000
           469.588690000
           243.086110000
           126.334260000
            70.371076000
            39.225458000
            21.170961000
            12.266637000
             6.808753300
             3.212713100
             1.637754700
             0.759358450
             0.333920570
             0.076245555
             0.030635202
    0.000001800000   -0.000000800000    0.000000400000    0.000000200000   -0.000000100000
    0.000007200000   -0.000003000000    0.000001500000    0.000000800000   -0.000000400000
    0.000020800000   -0.000008800000    0.000004300000    0.000002200000   -0.000001100000
    0.000051500000   -0.000021600000    0.000010600000    0.000005500000   -0.000002700000
    0.000113400000   -0.000047400000    0.000023199999    0.000012000000   -0.000006000000
    0.000223999999   -0.000093500001    0.000045699999    0.000023700001   -0.000011700000
    0.000407099999   -0.000169600002    0.000082899998    0.000043000001   -0.000021299999
    0.000760599998   -0.000316700003    0.000154599995    0.000080300002   -0.000039699998
    0.001500299996   -0.000624200006    0.000304799991    0.000158200005   -0.000078299997
    0.002957999992   -0.001231000011    0.000601199982    0.000312100009   -0.000154399993
    0.005702899985   -0.002377100021    0.001161299966    0.000602800017   -0.000298299987
    0.010706699972   -0.004479400040    0.002189799936    0.001136900032   -0.000562499976
    0.019343699949   -0.008149600072    0.003988899884    0.002071700059   -0.001025299957
    0.033502699911   -0.014284200127    0.007006299796    0.003640300104   -0.001801299924
    0.055681099852   -0.024189100215    0.011903399653    0.006191400176   -0.003065899870
    0.088354099765   -0.039507100351    0.019542699431    0.010173400290   -0.005034799787
    0.134478199642   -0.062742200557    0.031272199089    0.016325100465   -0.008097599658
    0.195448099480   -0.097252100864    0.049071798570    0.025659100731   -0.012699299463
    0.252929399327   -0.137759401224    0.070720397940    0.037239801060   -0.018551699216
    0.252976799327   -0.150260901335    0.078521797712    0.041320301177   -0.020388399138
    0.156291899584   -0.048166300428    0.017266199497    0.008257100235   -0.004284099819
    0.038188199898    0.258977702301   -0.210480393868   -0.125166403564    0.064946197255
    0.000266499999    0.526313904676   -0.528038984616   -0.329531009383    0.169798792825
    0.000883899998    0.316986602816   -0.346680789900   -0.238454806790    0.132869594385
   -0.000714699998    0.034894300310    0.497168985516    0.516868714718   -0.320874586440
    0.000461099999    0.009628800086    0.716336579131    0.970314827630   -0.603837474483
   -0.000332499999   -0.005489800049    0.220309093582    0.035140701001   -0.029477298754
    0.000229099999    0.003435400031   -0.001625699953   -0.967265027543    1.131412952189
   -0.000109200000   -0.001732700015    0.006353899815   -0.499642214227    0.649287072562
    0.000047600000    0.000778200007   -0.002500899927   -0.033044500941   -1.057940855293
   -0.000024800000   -0.000390700003    0.001091999968    0.001686300048   -0.602951374520
    0.000009800000    0.000155700001   -0.000439199987   -0.000517300015   -0.022412099053
   -0.000003000000   -0.000048900000    0.000142299996    0.000186200005   -0.002448799897
    0.000000700000    0.000011700000   -0.000033199999   -0.000028100001    0.000505499979
   -0.000000300000   -0.000004700000    0.000013400000    0.000011500000   -0.000210699991
   26    4
    1349.594120     339.218600      84.006566      17.325153
 504215120.000000000
  71035224.000000000
  14357392.000000000
   3546683.700000000
   1012798.100000000
    323735.930000000
    113353.580000000
     43002.224000000
     17519.177000000
      7585.497600000
      3460.441000000
      1654.102500000
       824.442850000
       426.365720000
       227.384440000
       123.913820000
        68.446532000
        38.286828000
        21.203490000
        11.721141000
         6.436010700
         3.424863100
         1.770146300
         0.795698530
         0.369271440
         0.151901330
    0.000006200000   -0.000003300000   -0.000001700000   -0.000000800000
    0.000019800000   -0.000010499999   -0.000005400000   -0.000002600000
    0.000054299999   -0.000028699998   -0.000015000000   -0.000007200000
    0.000136399998   -0.000072199995   -0.000037700000   -0.000018000000
    0.000324899995   -0.000172299988   -0.000089900000   -0.000043000000
    0.000756199988   -0.000402099973   -0.000209900000   -0.000100399999
    0.001752999972   -0.000935899936   -0.000489000001   -0.000233799999
    0.004076899934   -0.002187899851   -0.001144800002   -0.000547699997
    0.009581099845   -0.005182299648   -0.002716600005   -0.001299899992
    0.022704899632   -0.012417699156   -0.006528700012   -0.003128299980
    0.053062799140   -0.029549097992   -0.015602900028   -0.007478199953
    0.116090398118   -0.066422295487   -0.035331500063   -0.016985099892
    0.219002496450   -0.130207291153   -0.069932800124   -0.033651099787
    0.317863094847   -0.195671186704   -0.106261000188   -0.051411399674
    0.298247895165   -0.154503789502   -0.077380400137   -0.036272199770
    0.143706697670    0.116865892059    0.109957200195    0.059284199624
    0.024238799607    0.465309468383    0.404009600716    0.221282098598
    0.000984199984    0.420025771460    0.330233300586    0.167408298940
   -0.000195099997    0.127790591317   -0.281218400499   -0.227233398561
    0.000011700000    0.008277099438   -0.652974901158   -0.588338396273
   -0.000050899999    0.000987099933   -0.298628300530   -0.125661399204
    0.000036099999   -0.000491499967   -0.030662800054    0.659395495823
   -0.000010100000    0.000112699992   -0.000964600002    0.537949196593
    0.000005500000   -0.000061099996    0.000141700000    0.077260599511
   -0.000002200000    0.000025399998   -0.000021000000   -0.003005999981
    0.000000600000   -0.000006400000    0.000004600000    0.000807699995
   18    2
     270.079500      57.532312
     37660.811000000
      9616.734400000
      3410.788400000
      1433.591100000
       658.073910000
       322.171420000
       166.584310000
        89.830585000
        50.479385000
        29.004616000
        16.237556000
         8.952853300
         4.767082400
         2.450111600
         1.196255800
         0.518338850
         0.201348030
         0.069324681
    0.000095900003    0.000053599998
    0.000590100019    0.000331099987
    0.002796300091    0.001574199939
    0.011471500372    0.006505199748
    0.040568401316    0.023231599099
    0.114490803714    0.066793397411
    0.239094607757    0.140409494557
    0.341487311078    0.192566092535
    0.293379009518    0.102793796015
    0.141485604590   -0.167272193515
    0.030740100997   -0.439576982959
    0.001002000033   -0.397190984602
    0.000459600015   -0.128575795016
   -0.000195300006   -0.008702399663
    0.000072800002   -0.000450199983
   -0.000028800001    0.000215099992
    0.000009300000   -0.000050999998
   -0.000003200000    0.000021899999
   13    1
      29.960168
      2162.644900000
       723.343760000
       307.017130000
       146.996540000
        74.894952000
        39.606560000
        21.057592000
        11.053894000
         5.628696200
         2.680594500
         1.197981400
         0.491081270
         0.175138450
   -0.000169599997
   -0.001553599976
   -0.009000399858
   -0.036356099428
   -0.105695998337
   -0.225991396444
   -0.340516594643
   -0.342528794611
   -0.188389097036
   -0.038400499396
   -0.000453399993
   -0.000370299994
    0.000077499999
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   U.AE.Paulovic.35s26p18d13f.7s5p4d2f.92e-DK3-AE.                                       *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32665313D+13 0.31047682D+12 0.48590502D+11 0.10009456D+11 0.24966177D+10 0.72471686D+09
 0.24149867D+09 0.86685553D+08 0.30894257D+08 0.10739020D+08 0.37243158D+07 0.13137450D+07
 0.47991648D+06 0.18460081D+06 0.75352579D+05 0.32757509D+05 0.15104669D+05 0.72596244D+04
 0.35789871D+04 0.18033247D+04 0.92424987D+03 0.46958869D+03 0.24308611D+03 0.12633426D+03
 0.70371076D+02 0.39225458D+02 0.21170961D+02 0.12266637D+02 0.68087533D+01 0.32127131D+01
 0.16377547D+01 0.75935845D+00 0.33392057D+00 0.76245555D-01 0.30635202D-01
 0.0000018 -0.0000008  0.0000004  0.0000002 -0.0000001  0.0000000  0.0000000 0.0 0.0 0.0 0.0
 0.0000072 -0.0000030  0.0000015  0.0000008 -0.0000004  0.0000002  0.0000000 0.0 0.0 0.0 0.0
 0.0000208 -0.0000088  0.0000043  0.0000022 -0.0000011  0.0000005 -0.0000001 0.0 0.0 0.0 0.0
 0.0000515 -0.0000216  0.0000106  0.0000055 -0.0000027  0.0000012 -0.0000004 0.0 0.0 0.0 0.0
 0.0001134 -0.0000474  0.0000232  0.0000120 -0.0000060  0.0000026 -0.0000008 0.0 0.0 0.0 0.0
 0.0002240 -0.0000935  0.0000457  0.0000237 -0.0000117  0.0000052 -0.0000015 0.0 0.0 0.0 0.0
 0.0004071 -0.0001696  0.0000829  0.0000430 -0.0000213  0.0000094 -0.0000028 0.0 0.0 0.0 0.0
 0.0007606 -0.0003167  0.0001546  0.0000803 -0.0000397  0.0000176 -0.0000052 0.0 0.0 0.0 0.0
 0.0015003 -0.0006242  0.0003048  0.0001582 -0.0000783  0.0000346 -0.0000103 0.0 0.0 0.0 0.0
 0.0029580 -0.0012310  0.0006012  0.0003121 -0.0001544  0.0000683 -0.0000203 0.0 0.0 0.0 0.0
 0.0057029 -0.0023771  0.0011613  0.0006028 -0.0002983  0.0001319 -0.0000392 0.0 0.0 0.0 0.0
 0.0107067 -0.0044794  0.0021898  0.0011369 -0.0005625  0.0002487 -0.0000740 0.0 0.0 0.0 0.0
 0.0193437 -0.0081496  0.0039889  0.0020717 -0.0010253  0.0004534 -0.0001349 0.0 0.0 0.0 0.0
 0.0335027 -0.0142842  0.0070063  0.0036403 -0.0018013  0.0007964 -0.0002370 0.0 0.0 0.0 0.0
 0.0556811 -0.0241891  0.0119034  0.0061914 -0.0030659  0.0013559 -0.0004032 0.0 0.0 0.0 0.0
 0.0883541 -0.0395071  0.0195427  0.0101734 -0.0050348  0.0022259 -0.0006626 0.0 0.0 0.0 0.0
 0.1344782 -0.0627422  0.0312722  0.0163251 -0.0080976  0.0035833 -0.0010649 0.0 0.0 0.0 0.0
 0.1954481 -0.0972521  0.0490718  0.0256592 -0.0126993  0.0056128 -0.0016729 0.0 0.0 0.0 0.0
 0.2529294 -0.1377595  0.0707204  0.0372399 -0.0185518  0.0082220 -0.0024395 0.0 0.0 0.0 0.0
 0.2529768 -0.1502608  0.0785218  0.0413203 -0.0203884  0.0089938 -0.0026916 0.0 0.0 0.0 0.0
 0.1562918 -0.0481664  0.0172663  0.0082571 -0.0042842  0.0019487 -0.0005467 0.0 0.0 0.0 0.0
 0.0381882  0.2589778 -0.2104806 -0.1251668  0.0649463 -0.0291222  0.0086073 0.0 0.0 0.0 0.0
 0.0002665  0.5263135 -0.5280388 -0.3295315  0.1697986 -0.0756450  0.0227023 0.0 0.0 0.0 0.0
 0.0008839  0.3169868 -0.3466813 -0.2384547  0.1328710 -0.0609166  0.0178264 0.0 0.0 0.0 0.0
-0.0007147  0.0348940  0.4971696  0.5168696 -0.3208769  0.1508239 -0.0444593 0.0 0.0 0.0 0.0
 0.0004612  0.0096294  0.7163351  0.9703160 -0.6038339  0.2804358 -0.0857321 0.0 0.0 0.0 0.0
-0.0003326 -0.0054899  0.2203097  0.0351386 -0.0294829  0.0230237 -0.0042303 0.0 0.0 0.0 0.0
 0.0002293  0.0034356 -0.0016259 -0.9672640  1.1314194 -0.6352830  0.1913941 0.0 0.0 0.0 0.0
-0.0001093 -0.0017328  0.0063546 -0.4996418  0.6492824 -0.3641381  0.1197975 0.0 0.0 0.0 0.0
 0.0000477  0.0007783 -0.0025006 -0.0330448 -1.0579426  0.9220721 -0.3179565 0.0 0.0 0.0 0.0
-0.0000248 -0.0003906  0.0010925  0.0016870 -0.6029412  0.7730351 -0.2678360 0.0 0.0 0.0 0.0
 0.0000098  0.0001559 -0.0004399 -0.0005173 -0.0224226 -0.7892183  0.3387836 1.0 0.0 0.0 0.0
-0.0000030 -0.0000489  0.0001418  0.0001844 -0.0024469 -0.7885021  0.5563143 0.0 1.0 0.0 0.0
 0.0000008  0.0000117 -0.0000331 -0.0000260  0.0005054 -0.0335851 -0.5104587 0.0 0.0 1.0 0.0
-0.0000003 -0.0000047  0.0000142  0.0000107 -0.0002051  0.0076219 -0.7175798 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50421512D+09 0.71035224D+08 0.14357392D+08 0.35466837D+07 0.10127981D+07 0.32373593D+06
 0.11335358D+06 0.43002224D+05 0.17519177D+05 0.75854976D+04 0.34604410D+04 0.16541025D+04
 0.82444285D+03 0.42636572D+03 0.22738444D+03 0.12391382D+03 0.68446532D+02 0.38286828D+02
 0.21203490D+02 0.11721141D+02 0.64360107D+01 0.34248631D+01 0.17701463D+01 0.79569853D+00
 0.36927144D+00 0.15190133D+00
 0.0000062 -0.0000033 -0.0000017 -0.0000008  0.0000003 0.0 0.0 0.0 0.0
 0.0000198 -0.0000105 -0.0000054 -0.0000026  0.0000010 0.0 0.0 0.0 0.0
 0.0000543 -0.0000287 -0.0000150 -0.0000072  0.0000028 0.0 0.0 0.0 0.0
 0.0001364 -0.0000722 -0.0000377 -0.0000180  0.0000072 0.0 0.0 0.0 0.0
 0.0003249 -0.0001723 -0.0000899 -0.0000430  0.0000171 0.0 0.0 0.0 0.0
 0.0007562 -0.0004021 -0.0002099 -0.0001004  0.0000399 0.0 0.0 0.0 0.0
 0.0017530 -0.0009359 -0.0004890 -0.0002338  0.0000929 0.0 0.0 0.0 0.0
 0.0040769 -0.0021879 -0.0011448 -0.0005477  0.0002177 0.0 0.0 0.0 0.0
 0.0095811 -0.0051823 -0.0027166 -0.0012999  0.0005168 0.0 0.0 0.0 0.0
 0.0227049 -0.0124177 -0.0065287 -0.0031283  0.0012433 0.0 0.0 0.0 0.0
 0.0530628 -0.0295491 -0.0156029 -0.0074782  0.0029750 0.0 0.0 0.0 0.0
 0.1160904 -0.0664223 -0.0353315 -0.0169851  0.0067536 0.0 0.0 0.0 0.0
 0.2190025 -0.1302073 -0.0699328 -0.0336511  0.0134045 0.0 0.0 0.0 0.0
 0.3178631 -0.1956712 -0.1062610 -0.0514114  0.0204505 0.0 0.0 0.0 0.0
 0.2982479 -0.1545038 -0.0773804 -0.0362722  0.0144323 0.0 0.0 0.0 0.0
 0.1437067  0.1168659  0.1099572  0.0592842 -0.0243632 0.0 0.0 0.0 0.0
 0.0242388  0.4653095  0.4040096  0.2212821 -0.0901383 0.0 0.0 0.0 0.0
 0.0009842  0.4200258  0.3302333  0.1674083 -0.0681038 0.0 0.0 0.0 0.0
-0.0001951  0.1277906 -0.2812184 -0.2272333  0.1018828 0.0 0.0 0.0 0.0
 0.0000117  0.0082771 -0.6529748 -0.5883384  0.2671115 0.0 0.0 0.0 0.0
-0.0000509  0.0009871 -0.2986283 -0.1256612  0.0395611 0.0 0.0 0.0 0.0
 0.0000361 -0.0004915 -0.0306628  0.6593952 -0.4307058 0.0 0.0 0.0 0.0
-0.0000101  0.0001127 -0.0009645  0.5379492 -0.3645566 1.0 0.0 0.0 0.0
 0.0000055 -0.0000611  0.0001417  0.0772609  0.3890528 0.0 1.0 0.0 0.0
-0.0000022  0.0000254 -0.0000210 -0.0030061  0.6698319 0.0 0.0 1.0 0.0
 0.0000006 -0.0000064  0.0000046  0.0008077  0.2032002 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.37660811D+05 0.96167344D+04 0.34107884D+04 0.14335911D+04 0.65807391D+03 0.32217142D+03
 0.16658431D+03 0.89830585D+02 0.50479385D+02 0.29004616D+02 0.16237556D+02 0.89528533D+01
 0.47670824D+01 0.24501116D+01 0.11962558D+01 0.51833885D+00 0.20134803D+00 0.69324681D-01
 0.0000959  0.0000536  0.0000235 -0.0000065 0.0 0.0 0.0 0.0
 0.0005901  0.0003311  0.0001457 -0.0000401 0.0 0.0 0.0 0.0
 0.0027963  0.0015742  0.0006924 -0.0001904 0.0 0.0 0.0 0.0
 0.0114715  0.0065052  0.0028701 -0.0007904 0.0 0.0 0.0 0.0
 0.0405684  0.0232316  0.0102585 -0.0028232 0.0 0.0 0.0 0.0
 0.1144908  0.0667934  0.0296650 -0.0081777 0.0 0.0 0.0 0.0
 0.2390946  0.1404095  0.0623245 -0.0171620 0.0 0.0 0.0 0.0
 0.3414873  0.1925661  0.0849756 -0.0234193 0.0 0.0 0.0 0.0
 0.2933790  0.1027938  0.0352973 -0.0091922 0.0 0.0 0.0 0.0
 0.1414856 -0.1672722 -0.1071153  0.0308518 0.0 0.0 0.0 0.0
 0.0307401 -0.4395770 -0.2614014  0.0754830 0.0 0.0 0.0 0.0
 0.0010020 -0.3971910 -0.1898546  0.0509460 0.0 0.0 0.0 0.0
 0.0004596 -0.1285758  0.2463420 -0.0890626 0.0 0.0 0.0 0.0
-0.0001953 -0.0087024  0.5521907 -0.2015539 0.0 0.0 0.0 0.0
 0.0000728 -0.0004502  0.3415236 -0.0646529 1.0 0.0 0.0 0.0
-0.0000288  0.0002151  0.0557136  0.3153488 0.0 1.0 0.0 0.0
 0.0000093 -0.0000510 -0.0009503  0.5547289 0.0 0.0 1.0 0.0
-0.0000032  0.0000219  0.0002118  0.3424616 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21626449D+04 0.72334376D+03 0.30701713D+03 0.14699654D+03 0.74894952D+02 0.39606560D+02
 0.21057592D+02 0.11053894D+02 0.56286962D+01 0.26805945D+01 0.11979814D+01 0.49108127D+00
 0.17513845D+00
-0.0001696 -0.0000514 0.0 0.0 0.0
-0.0015536 -0.0004710 0.0 0.0 0.0
-0.0090004 -0.0027389 0.0 0.0 0.0
-0.0363560 -0.0110791 0.0 0.0 0.0
-0.1056960 -0.0323628 0.0 0.0 0.0
-0.2259914 -0.0684106 0.0 0.0 0.0
-0.3405166 -0.0961428 0.0 0.0 0.0
-0.3425288 -0.0716439 0.0 0.0 0.0
-0.1883891  0.0794034 0.0 0.0 0.0
-0.0384005  0.3088075 0.0 0.0 0.0
-0.0004534  0.4295809 1.0 0.0 0.0
-0.0003703  0.3448269 0.0 1.0 0.0
 0.0000775  0.1494592 0.0 0.0 1.0
*
End

*
/Np.ECP.Paulovic.14s10p12d9f.2s1p2d1f.25e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on NpQR(6L)
*
 25.000000         3

* S-type functions
   14    6
   8704015.573000001
    767847.620000000
     97421.785390000
     16658.258710000
      3532.884643000
       277.478359300
        46.739205480
        11.160740030
         2.682646753
         1.277384706
         0.586138966
         0.261826830
         0.070065988
         0.027821856
      0.000196201020     -0.000057371107 0.0 0.0 0.0 0.0
      0.000779497460     -0.000227937550 0.0 0.0 0.0 0.0
      0.002581370500     -0.000754811800 0.0 0.0 0.0 0.0
      0.007508352900     -0.002195792800 0.0 0.0 0.0 0.0
      0.017411646000     -0.005091282600 0.0 0.0 0.0 0.0
     -0.114489840000      0.033540413000 0.0 0.0 0.0 0.0
      0.372398480000     -0.110004630000 0.0 0.0 0.0 0.0
     -0.827751920000      0.251619090000 0.0 0.0 0.0 0.0
      1.241833700000     -0.420141740000 0.0 0.0 0.0 0.0
      0.164481270000     -0.059702590000 0.0 0.0 0.0 0.0
     -1.038484900000      0.520616710000 1.0 0.0 0.0 0.0
     -0.408894650000      0.328820420000 0.0 1.0 0.0 0.0
     -0.004503124100     -0.673761720000 0.0 0.0 1.0 0.0
     -0.000030959601     -0.571320110000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10081.122400000
      1861.336167000
       507.831619200
        67.874134800
        13.220403040
         3.403107690
         2.324174165
         0.585346167
         0.267312340
         0.106641586
      0.002186597800 0.0 0.0 0.0 0.0
      0.011959899000 0.0 0.0 0.0 0.0
      0.034185312000 0.0 0.0 0.0 0.0
     -0.134142830000 0.0 0.0 0.0 0.0
      0.335207730000 0.0 0.0 0.0 0.0
     -0.319373040000 0.0 0.0 0.0 0.0
     -0.349692250000 1.0 0.0 0.0 0.0
      0.635276580000 0.0 1.0 0.0 0.0
      0.471340400000 0.0 0.0 1.0 0.0
      0.069910462000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1057.208500000
       297.041990600
       106.876183600
        19.378904060
         8.791035527
         5.041549768
         2.420513873
         1.202442195
         0.576658964
         0.282586884
         0.125274634
         0.052652843
      0.009535041300     -0.002613788800 0.0 0.0 0.0 0.0
      0.056486188000     -0.015625854000 0.0 0.0 0.0 0.0
      0.132216390000     -0.036044484000 0.0 0.0 0.0 0.0
     -0.319302390000      0.093525994000 0.0 0.0 0.0 0.0
     -0.259842450000      0.069474269000 0.0 0.0 0.0 0.0
      0.324948300000     -0.110770430000 0.0 0.0 0.0 0.0
      0.563542920000     -0.212633380000 0.0 0.0 0.0 0.0
      0.296848950000     -0.034521742000 0.0 0.0 0.0 0.0
      0.053984609000      0.226433780000 1.0 0.0 0.0 0.0
      0.001372705400      0.413397720000 0.0 1.0 0.0 0.0
      0.000399714020      0.395419380000 0.0 0.0 1.0 0.0
     -0.000259066360      0.175463690000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       300.407763500
       100.958862400
        40.827797170
        17.512849240
         3.655953881
         1.743243584
         0.824203262
         0.365400257
         0.142562154
     -0.005220824400 0.0 0.0 0.0
     -0.033344151000 0.0 0.0 0.0
     -0.098844795000 0.0 0.0 0.0
     -0.132652790000 0.0 0.0 0.0
      0.246456240000 0.0 0.0 0.0
      0.380336780000 0.0 0.0 0.0
      0.353724670000 1.0 0.0 0.0
      0.223899500000 0.0 1.0 0.0
      0.073984560000 0.0 0.0 1.0
*
* Core AIMP:Np DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    683039.790000000
    167109.371000000
     57065.754100000
     21144.453400000
      8236.248170000
      3251.204440000
      1344.389480000
       629.674618000
       232.935307000
       119.984260000
        25.036943400
        14.634444200
         5.918603720
         1.960601500
         3.512483930
      0.033702230046
      0.026081635207
      0.039627509253
      0.056911756991
      0.074058967901
      0.097444375411
      0.168639588151
      0.203926812156
      0.174706267827
      0.523380125730
      0.703032093625
      0.257213006877
      0.255174878101
      0.005155797454
      0.100944955268
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    8792.865800    1663.607320     427.918580     113.227718      26.406360
 3287011100000.000000000
  309271640000.000000000
   48590502000.000000000
    9951957400.000000000
    2475550800.000000000
     722455650.000000000
     241498670.000000000
      86617857.000000000
      30900291.000000000
      10755812.000000000
       3724315.800000000
       1313674.800000000
        479904.760000000
        184555.740000000
         75318.558000000
         32758.743000000
         15113.137000000
          7261.042500000
          3578.273300000
          1803.324700000
           925.209360000
           469.330400000
           242.991170000
           126.219420000
            70.359158000
            39.226176000
            21.236276000
            12.266147000
             6.786543900
             3.223002900
             1.618501700
             0.759465830
             0.334116280
             0.076194384
             0.030511841
    0.000002000000   -0.000000800000    0.000000400000    0.000000200000   -0.000000100000
    0.000007799999   -0.000003300000    0.000001600000    0.000000800000   -0.000000400000
    0.000022599998   -0.000009600001    0.000004700000    0.000002400000   -0.000001200000
    0.000056099996   -0.000023700003    0.000011600000    0.000006000000   -0.000003000000
    0.000122399990   -0.000051500007    0.000025199999    0.000013100001   -0.000006500000
    0.000239299981   -0.000100400013    0.000049099998    0.000025600002   -0.000012700000
    0.000434399966   -0.000182100024    0.000088999996    0.000046300003   -0.000023100000
    0.000810399936   -0.000339300045    0.000165899993    0.000086300006   -0.000043000000
    0.001587199875   -0.000664200088    0.000324799987    0.000169000011   -0.000084100000
    0.003125399755   -0.001308100173    0.000639699975    0.000332800022   -0.000165700000
    0.006011699528   -0.002520000334    0.001232699951    0.000641400043   -0.000319400000
    0.011229199118   -0.004724900626    0.002312799908    0.001203600080   -0.000599300000
    0.020218098413   -0.008567301135    0.004198799833    0.002186000146   -0.001088700001
    0.034877497262   -0.014959201981    0.007347299708    0.003826800256   -0.001905600001
    0.057686595471   -0.025215503339    0.012425899506    0.006478900433   -0.003228800002
    0.090941692860   -0.040933005421    0.020278399195    0.010582600707   -0.005270400003
    0.137638789194   -0.064656308563    0.032277598718    0.016891901129   -0.008432900005
    0.198641584405   -0.099573513187    0.050330498001    0.026384401764   -0.013139800008
    0.254056680055   -0.139191518433    0.071568297157    0.037782202525   -0.018948300012
    0.249432580418   -0.147769919570    0.077167596935    0.040677202719   -0.020176900013
    0.150016688223   -0.036837504878    0.009816199610    0.004095700274   -0.002229500001
    0.035188797237    0.277186636708   -0.227156390978   -0.135722409072    0.070954400045
   -0.000025099998    0.526469769722   -0.535182878744   -0.336087122464    0.174383300111
    0.000909699929    0.299674139687   -0.314239187519   -0.216356714461    0.122392900078
   -0.000740099942    0.028877603824    0.537772378641    0.568440337994   -0.357271600228
    0.000483299962    0.009108801206    0.694550472414    0.953851663755   -0.597341000382
   -0.000345699973   -0.005283600700    0.197833792142   -0.043347502897    0.026559900017
    0.000235799981    0.003243000429   -0.001510199940   -0.981795365623    1.203493000769
   -0.000113099991   -0.001629300216    0.005279799790   -0.451489730177    0.540219500345
    0.000049299996    0.000730900097   -0.002125999916   -0.024051801608   -1.129907900722
   -0.000025399998   -0.000364000048    0.000905899964    0.000125000008   -0.529210800338
    0.000010399999    0.000149300020   -0.000373599985    0.000027100002   -0.011808800008
   -0.000003200000   -0.000046500006    0.000120499995    0.000024800002   -0.003062500002
    0.000000800000    0.000011100001   -0.000027799999    0.000008100001    0.000594400000
   -0.000000300000   -0.000004400001    0.000011200000   -0.000003100000   -0.000241200000
   26    4
    1386.277920     349.984220      87.312924      18.123989
 504340890.000000000
  71015026.000000000
  14335463.000000000
   3539746.400000000
   1010819.600000000
    323284.150000000
    113257.890000000
     42991.890000000
     17520.483000000
      7586.654500000
      3460.618800000
      1654.022000000
       824.306390000
       426.361460000
       227.354340000
       123.768950000
        68.504786000
        38.304414000
        21.154801000
        11.731538000
         6.443004200
         3.444696800
         1.785248800
         0.801358810
         0.370185950
         0.151877850
    0.000006600001   -0.000003500000   -0.000001800000   -0.000000900000
    0.000021000002   -0.000011100001   -0.000005800000   -0.000002800000
    0.000057700005   -0.000030600002   -0.000016000000   -0.000007700000
    0.000144600013   -0.000076700006   -0.000040099999   -0.000019300001
    0.000343800030   -0.000182700014   -0.000095599999   -0.000046100002
    0.000798300071   -0.000425400034   -0.000222799997   -0.000107300005
    0.001845800163   -0.000987600078   -0.000517799993   -0.000249400011
    0.004280700378   -0.002302800181   -0.001208799984   -0.000582700026
    0.010031400887   -0.005439400429   -0.002860899963   -0.001379200062
    0.023694502094   -0.012994901024   -0.006855299912   -0.003309000150
    0.055141904874   -0.030799802426   -0.016320099789   -0.007881800357
    0.119899710598   -0.068837105423   -0.036747999526   -0.017796700806
    0.224102719809   -0.133695010533   -0.072071699070   -0.034952801582
    0.320395328320   -0.197497415559   -0.107575598612   -0.052413902373
    0.293960225983   -0.147608811629   -0.072895599059   -0.034267301551
    0.136426012059    0.134610410605    0.123791798402    0.067278603046
    0.021368301889    0.474379637372    0.415317694640    0.229386910385
    0.001024700091    0.408001332143    0.310477495993    0.156426407082
   -0.000318500028    0.116909709210   -0.316504495915   -0.257041211637
    0.000090600008    0.006439000507   -0.649569291617   -0.597584727054
   -0.000091800008    0.001030900081   -0.274976496451   -0.074740303384
    0.000058500005   -0.000537700042   -0.025390999672    0.684211930976
   -0.000020400002    0.000132900010   -0.001061099986    0.505178822871
    0.000009400001   -0.000066000005    0.000204899997    0.066814203025
   -0.000003800000    0.000027200002   -0.000047799999   -0.002579200117
    0.000001000000   -0.000006800001    0.000010500000    0.000670300030
   18    2
     278.712940      60.008976
     34958.747000000
      9426.941400000
      3427.049500000
      1435.099300000
       657.856750000
       322.215950000
       166.444300000
        89.721051000
        50.481275000
        29.096644000
        16.287437000
         8.979422700
         4.772371500
         2.452306500
         1.196315500
         0.516925970
         0.202595930
         0.070403108
    0.000110500000    0.000062100001
    0.000620299999    0.000349700005
    0.002917799996    0.001651600024
    0.012115299985    0.006905000100
    0.042438599946    0.024447400355
    0.118961699850    0.069780101015
    0.245998999689    0.145203002111
    0.344366899565    0.193893602819
    0.286559999638    0.093524001360
    0.134171799831   -0.182296502651
    0.028161399964   -0.448715306525
    0.000711699999   -0.385684205608
    0.000443599999   -0.116547201695
   -0.000202100000   -0.006692400097
    0.000072300000   -0.000518500008
   -0.000030000000    0.000226400003
    0.000009500000   -0.000063300001
   -0.000003400000    0.000023000000
   13    1
      31.766720
      2157.781700000
       724.228460000
       306.904670000
       146.967490000
        74.902419000
        39.634205000
        21.085597000
        11.083325000
         5.639462900
         2.670592200
         1.208172000
         0.507211150
         0.186549130
   -0.000183300016
   -0.001671500148
   -0.009668700857
   -0.038638403425
   -0.111193109855
   -0.233784920721
   -0.345237630599
   -0.337525229915
   -0.176335215629
   -0.032365502869
   -0.000123000011
   -0.000371900033
    0.000075600007
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Np.AE.Paulovic.35s26p18d13f.7s5p4d2f.93e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
   35   11 5
 0.32870111D+13 0.30927164D+12 0.48590502D+11 0.99519574D+10 0.24755508D+10 0.72245565D+09
 0.24149867D+09 0.86617857D+08 0.30900291D+08 0.10755812D+08 0.37243158D+07 0.13136748D+07
 0.47990476D+06 0.18455574D+06 0.75318558D+05 0.32758743D+05 0.15113137D+05 0.72610425D+04
 0.35782733D+04 0.18033247D+04 0.92520936D+03 0.46933040D+03 0.24299117D+03 0.12621942D+03
 0.70359158D+02 0.39226176D+02 0.21236276D+02 0.12266147D+02 0.67865439D+01 0.32230029D+01
 0.16185017D+01 0.75946583D+00 0.33411628D+00 0.76194384D-01 0.30511841D-01
 0.0000020 -0.0000008  0.0000004  0.0000002 -0.0000001  0.0000000  0.0000000 0.0 0.0 0.0 0.0
 0.0000078 -0.0000033  0.0000016  0.0000008 -0.0000004  0.0000002 -0.0000001 0.0 0.0 0.0 0.0
 0.0000226 -0.0000096  0.0000047  0.0000024 -0.0000012  0.0000005 -0.0000002 0.0 0.0 0.0 0.0
 0.0000561 -0.0000237  0.0000116  0.0000060 -0.0000030  0.0000013 -0.0000004 0.0 0.0 0.0 0.0
 0.0001224 -0.0000515  0.0000252  0.0000131 -0.0000065  0.0000029 -0.0000008 0.0 0.0 0.0 0.0
 0.0002393 -0.0001004  0.0000491  0.0000256 -0.0000127  0.0000056 -0.0000017 0.0 0.0 0.0 0.0
 0.0004344 -0.0001821  0.0000890  0.0000463 -0.0000231  0.0000102 -0.0000030 0.0 0.0 0.0 0.0
 0.0008104 -0.0003393  0.0001659  0.0000863 -0.0000430  0.0000191 -0.0000056 0.0 0.0 0.0 0.0
 0.0015872 -0.0006642  0.0003248  0.0001690 -0.0000841  0.0000373 -0.0000109 0.0 0.0 0.0 0.0
 0.0031254 -0.0013081  0.0006397  0.0003328 -0.0001657  0.0000735 -0.0000215 0.0 0.0 0.0 0.0
 0.0060117 -0.0025200  0.0012327  0.0006414 -0.0003194  0.0001417 -0.0000415 0.0 0.0 0.0 0.0
 0.0112292 -0.0047249  0.0023128  0.0012036 -0.0005993  0.0002658 -0.0000778 0.0 0.0 0.0 0.0
 0.0202181 -0.0085673  0.0041989  0.0021860 -0.0010887  0.0004829 -0.0001413 0.0 0.0 0.0 0.0
 0.0348775 -0.0149592  0.0073473  0.0038267 -0.0019056  0.0008451 -0.0002474 0.0 0.0 0.0 0.0
 0.0576866 -0.0252155  0.0124259  0.0064789 -0.0032288  0.0014322 -0.0004191 0.0 0.0 0.0 0.0
 0.0909417 -0.0409330  0.0202784  0.0105825 -0.0052705  0.0023375 -0.0006846 0.0 0.0 0.0 0.0
 0.1376388 -0.0646562  0.0322776  0.0168918 -0.0084329  0.0037425 -0.0010945 0.0 0.0 0.0 0.0
 0.1986416 -0.0995735  0.0503306  0.0263843 -0.0131399  0.0058272 -0.0017085 0.0 0.0 0.0 0.0
 0.2540567 -0.1391915  0.0715684  0.0377821 -0.0189485  0.0084196 -0.0024591 0.0 0.0 0.0 0.0
 0.2494327 -0.1477698  0.0771676  0.0406770 -0.0201770  0.0089365 -0.0026292 0.0 0.0 0.0 0.0
 0.1500167 -0.0368376  0.0098163  0.0040957 -0.0022296  0.0010176 -0.0002706 0.0 0.0 0.0 0.0
 0.0351888  0.2771867 -0.2271569 -0.1357219  0.0709552 -0.0318629  0.0092857 0.0 0.0 0.0 0.0
-0.0000251  0.5264697 -0.5351834 -0.3360857  0.1743840 -0.0780845  0.0230258 0.0 0.0 0.0 0.0
 0.0009097  0.2996746 -0.3142397 -0.2163555  0.1223946 -0.0561227  0.0162050 0.0 0.0 0.0 0.0
-0.0007401  0.0288770  0.5377750  0.5684384 -0.3572769  0.1679247 -0.0489617 0.0 0.0 0.0 0.0
 0.0004834  0.0091091  0.6945512  0.9538493 -0.5973394  0.2799648 -0.0839383 0.0 0.0 0.0 0.0
-0.0003459 -0.0052839  0.1978339 -0.0433486  0.0265559 -0.0069351  0.0041567 0.0 0.0 0.0 0.0
 0.0002360  0.0032431 -0.0015120 -0.9817925  1.2035061 -0.6811274  0.2036025 0.0 0.0 0.0 0.0
-0.0001132 -0.0016294  0.0052791 -0.4514903  0.5402113 -0.3007260  0.0969215 0.0 0.0 0.0 0.0
 0.0000493  0.0007309 -0.0021270 -0.0240535 -1.1299113  1.0186518 -0.3439690 0.0 0.0 0.0 0.0
-0.0000255 -0.0003640  0.0009060  0.0001248 -0.5292063  0.6725679 -0.2314475 0.0 0.0 0.0 0.0
 0.0000104  0.0001493 -0.0003738  0.0000279 -0.0118140 -0.8603498  0.3717101 1.0 0.0 0.0 0.0
-0.0000032 -0.0000465  0.0001210  0.0000241 -0.0030538 -0.7226074  0.5138832 0.0 1.0 0.0 0.0
 0.0000008  0.0000111 -0.0000281  0.0000085  0.0005908 -0.0262723 -0.5456129 0.0 0.0 1.0 0.0
-0.0000003 -0.0000045  0.0000110 -0.0000008 -0.0002405  0.0057739 -0.6823735 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50434089D+09 0.71015026D+08 0.14335463D+08 0.35397464D+07 0.10108196D+07 0.32328415D+06
 0.11325789D+06 0.42991890D+05 0.17520483D+05 0.75866545D+04 0.34606188D+04 0.16540220D+04
 0.82430639D+03 0.42636146D+03 0.22735434D+03 0.12376895D+03 0.68504786D+02 0.38304414D+02
 0.21154801D+02 0.11731538D+02 0.64430042D+01 0.34446968D+01 0.17852488D+01 0.80135881D+00
 0.37018595D+00 0.15187785D+00
 0.0000066 -0.0000035 -0.0000018 -0.0000009  0.0000004 0.0 0.0 0.0 0.0
 0.0000210 -0.0000111 -0.0000058 -0.0000028  0.0000011 0.0 0.0 0.0 0.0
 0.0000577 -0.0000306 -0.0000160 -0.0000077  0.0000031 0.0 0.0 0.0 0.0
 0.0001446 -0.0000767 -0.0000401 -0.0000193  0.0000077 0.0 0.0 0.0 0.0
 0.0003438 -0.0001827 -0.0000956 -0.0000461  0.0000183 0.0 0.0 0.0 0.0
 0.0007983 -0.0004254 -0.0002228 -0.0001073  0.0000426 0.0 0.0 0.0 0.0
 0.0018458 -0.0009876 -0.0005178 -0.0002494  0.0000991 0.0 0.0 0.0 0.0
 0.0042807 -0.0023028 -0.0012088 -0.0005827  0.0002315 0.0 0.0 0.0 0.0
 0.0100314 -0.0054394 -0.0028609 -0.0013792  0.0005484 0.0 0.0 0.0 0.0
 0.0236945 -0.0129949 -0.0068553 -0.0033090  0.0013150 0.0 0.0 0.0 0.0
 0.0551419 -0.0307998 -0.0163201 -0.0078818  0.0031362 0.0 0.0 0.0 0.0
 0.1198997 -0.0688371 -0.0367480 -0.0177967  0.0070750 0.0 0.0 0.0 0.0
 0.2241027 -0.1336950 -0.0720717 -0.0349528  0.0139288 0.0 0.0 0.0 0.0
 0.3203953 -0.1974974 -0.1075756 -0.0524139  0.0208369 0.0 0.0 0.0 0.0
 0.2939602 -0.1476088 -0.0728956 -0.0342673  0.0136538 0.0 0.0 0.0 0.0
 0.1364260  0.1346104  0.1237918  0.0672786 -0.0277059 0.0 0.0 0.0 0.0
 0.0213683  0.4743796  0.4153177  0.2293869 -0.0933562 0.0 0.0 0.0 0.0
 0.0010247  0.4080013  0.3104775  0.1564264 -0.0637916 0.0 0.0 0.0 0.0
-0.0003185  0.1169097 -0.3165044 -0.2570411  0.1159172 0.0 0.0 0.0 0.0
 0.0000906  0.0064390 -0.6495693 -0.5975847  0.2714769 0.0 0.0 0.0 0.0
-0.0000918  0.0010309 -0.2749766 -0.0747403  0.0129785 0.0 0.0 0.0 0.0
 0.0000585 -0.0005377 -0.0253910  0.6842118 -0.4538069 0.0 0.0 0.0 0.0
-0.0000204  0.0001329 -0.0010611  0.5051789 -0.3299371 1.0 0.0 0.0 0.0
 0.0000094 -0.0000660  0.0002049  0.0668142  0.4255574 0.0 1.0 0.0 0.0
-0.0000038  0.0000272 -0.0000478 -0.0025792  0.6518576 0.0 0.0 1.0 0.0
 0.0000010 -0.0000068  0.0000105  0.0006703  0.1846695 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.34958747D+05 0.94269414D+04 0.34270495D+04 0.14350993D+04 0.65785675D+03 0.32221595D+03
 0.16644430D+03 0.89721051D+02 0.50481275D+02 0.29096644D+02 0.16287437D+02 0.89794227D+01
 0.47723715D+01 0.24523065D+01 0.11963155D+01 0.51692597D+00 0.20259593D+00 0.70403108D-01
 0.0001105  0.0000621  0.0000276 -0.0000076 0.0 0.0 0.0 0.0
 0.0006203  0.0003497  0.0001556 -0.0000429 0.0 0.0 0.0 0.0
 0.0029178  0.0016516  0.0007345 -0.0002021 0.0 0.0 0.0 0.0
 0.0121153  0.0069050  0.0030798 -0.0008490 0.0 0.0 0.0 0.0
 0.0424386  0.0244474  0.0109155 -0.0030055 0.0 0.0 0.0 0.0
 0.1189617  0.0697801  0.0313361 -0.0086481 0.0 0.0 0.0 0.0
 0.2459990  0.1452030  0.0651604 -0.0179481 0.0 0.0 0.0 0.0
 0.3443669  0.1938936  0.0863456 -0.0238315 0.0 0.0 0.0 0.0
 0.2865600  0.0935240  0.0303777 -0.0077240 0.0 0.0 0.0 0.0
 0.1341718 -0.1822965 -0.1166858  0.0335381 0.0 0.0 0.0 0.0
 0.0281614 -0.4487153 -0.2713934  0.0787021 0.0 0.0 0.0 0.0
 0.0007117 -0.3856842 -0.1756272  0.0459666 0.0 0.0 0.0 0.0
 0.0004436 -0.1165473  0.2804691 -0.1006272 0.0 0.0 0.0 0.0
-0.0002021 -0.0066924  0.5544816 -0.2044354 0.0 0.0 0.0 0.0
 0.0000723 -0.0005185  0.3150392 -0.0414228 1.0 0.0 0.0 0.0
-0.0000300  0.0002264  0.0468189  0.3334217 0.0 1.0 0.0 0.0
 0.0000095 -0.0000633 -0.0007990  0.5438457 0.0 0.0 1.0 0.0
-0.0000034  0.0000230  0.0001895  0.3287978 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21577817D+04 0.72422846D+03 0.30690467D+03 0.14696749D+03 0.74902419D+02 0.39634205D+02
 0.21085597D+02 0.11083325D+02 0.56394629D+01 0.26705922D+01 0.12081720D+01 0.50721115D+00
 0.18654913D+00
-0.0001833 -0.0000579 0.0 0.0 0.0
-0.0016715 -0.0005316 0.0 0.0 0.0
-0.0096687 -0.0030732 0.0 0.0 0.0
-0.0386384 -0.0123433 0.0 0.0 0.0
-0.1111931 -0.0355779 0.0 0.0 0.0
-0.2337849 -0.0740488 0.0 0.0 0.0
-0.3452376 -0.1008976 0.0 0.0 0.0
-0.3375252 -0.0700163 0.0 0.0 0.0
-0.1763352  0.1014411 0.0 0.0 0.0
-0.0323655  0.3348600 0.0 0.0 0.0
-0.0001230  0.4236229 1.0 0.0 0.0
-0.0003719  0.3170297 0.0 1.0 0.0
 0.0000756  0.1268070 0.0 0.0 1.0
*
End

*
/Pu.ECP.Paulovic.14s10p12d9f.2s1p2d1f.26e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on PuQR(7K)
*
 26.000000         3

* S-type functions
   14    6
   9670557.618000001
    893346.017900000
    120475.402000000
     18951.601810000
      3748.553639000
       287.151164200
        48.151676880
        11.593839210
         2.864391350
         1.545857961
         0.633109206
         0.298342674
         0.069216040
         0.027396792
      0.000196567820     -0.000057512446 0.0 0.0 0.0 0.0
      0.000725582280     -0.000212297750 0.0 0.0 0.0 0.0
      0.002415871100     -0.000706838060 0.0 0.0 0.0 0.0
      0.007596248700     -0.002222796000 0.0 0.0 0.0 0.0
      0.017908946000     -0.005239821100 0.0 0.0 0.0 0.0
     -0.115743450000      0.033929312000 0.0 0.0 0.0 0.0
      0.379806560000     -0.112287120000 0.0 0.0 0.0 0.0
     -0.845596560000      0.257344150000 0.0 0.0 0.0 0.0
      1.191521900000     -0.402725450000 0.0 0.0 0.0 0.0
      0.226418200000     -0.081990567000 0.0 0.0 0.0 0.0
     -0.964479230000      0.480128870000 1.0 0.0 0.0 0.0
     -0.474532760000      0.357056390000 0.0 1.0 0.0 0.0
     -0.015313962000     -0.729521500000 0.0 0.0 1.0 0.0
      0.003693456600     -0.502786290000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10145.281570000
      1874.355776000
       515.153862400
        70.031560450
        13.654171390
         3.516074902
         2.366715880
         0.616294807
         0.283414030
         0.114562092
      0.002310206900 0.0 0.0 0.0 0.0
      0.012491441000 0.0 0.0 0.0 0.0
      0.034634037000 0.0 0.0 0.0 0.0
     -0.136828870000 0.0 0.0 0.0 0.0
      0.342017470000 0.0 0.0 0.0 0.0
     -0.350520020000 0.0 0.0 0.0 0.0
     -0.327226090000 1.0 0.0 0.0 0.0
      0.624809290000 0.0 1.0 0.0 0.0
      0.477457900000 0.0 0.0 1.0 0.0
      0.076371541000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1080.130513000
       303.644749600
       109.496248800
        20.169402240
         9.680618926
         4.832095862
         2.386185814
         1.144039858
         0.525961334
         0.233901526
         0.100087741
         0.039700153
      0.009781159300     -0.002320776500 0.0 0.0 0.0 0.0
      0.057593855000     -0.013787103000 0.0 0.0 0.0 0.0
      0.133800790000     -0.031571295000 0.0 0.0 0.0 0.0
     -0.314737530000      0.079961380000 0.0 0.0 0.0 0.0
     -0.233034280000      0.053325637000 0.0 0.0 0.0 0.0
      0.331153500000     -0.101844940000 0.0 0.0 0.0 0.0
      0.570585740000     -0.178781690000 0.0 0.0 0.0 0.0
      0.267983140000     -0.012464261000 0.0 0.0 0.0 0.0
      0.033769271000      0.250006450000 1.0 0.0 0.0 0.0
      0.001821398300      0.410612960000 0.0 1.0 0.0 0.0
     -0.000166947990      0.389415760000 0.0 0.0 1.0 0.0
      0.000104003440      0.178649870000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       310.335968500
       104.156297100
        42.141535330
        18.179214980
         3.891011061
         1.869918470
         0.887167930
         0.398359167
         0.158637483
     -0.005442747200 0.0 0.0 0.0
     -0.034917449000 0.0 0.0 0.0
     -0.103302370000 0.0 0.0 0.0
     -0.137233640000 0.0 0.0 0.0
      0.250286690000 0.0 0.0 0.0
      0.388565250000 0.0 0.0 0.0
      0.352136550000 1.0 0.0 0.0
      0.210004690000 0.0 1.0 0.0
      0.063634976000 0.0 0.0 1.0
*
* Core AIMP:Pu DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    689323.880000000
    169452.214000000
     58017.604500000
     21594.912400000
      8447.595790000
      3340.656150000
      1382.178990000
       646.687570000
       238.572498000
       123.455550000
        25.563575900
        13.986449900
         5.582566900
         2.960835800
      0.032844809899
      0.025302670324
      0.038290913777
      0.054602695866
      0.070967293010
      0.093788832141
      0.162667314637
      0.195864617093
      0.169171854059
      0.501970729050
      0.709345709747
      0.233165381583
      0.275976024905
      0.051425769294
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    9026.114800    1714.245260     442.093360     117.377714      27.236622
 3288375600000.000000000
  309120950000.000000000
   48248284000.000000000
    9936340600.000000000
    2475550800.000000000
     721082640.000000000
     241118400.000000000
      86617857.000000000
      30900291.000000000
      10755812.000000000
       3727408.600000000
       1313692.600000000
        479941.380000000
        184552.580000000
         75297.126000000
         32745.839000000
         15113.137000000
          7261.042500000
          3576.776400000
          1802.953000000
           923.851830000
           472.462130000
           242.447830000
           123.826810000
            70.399362000
            39.238956000
            21.290133000
            12.030940000
             6.720994300
             3.315526600
             1.559170200
             0.760209520
             0.321705600
             0.077939585
             0.030139489
    0.000002200000   -0.000000900000    0.000000500000    0.000000200000   -0.000000100000
    0.000008600000   -0.000003700000    0.000001800000    0.000000900000   -0.000000500000
    0.000024699999   -0.000010500000    0.000005100000    0.000002700000   -0.000001300000
    0.000060499998   -0.000025700000    0.000012600000    0.000006599999   -0.000003300000
    0.000131899996   -0.000055800000    0.000027299999    0.000014299999   -0.000007100000
    0.000256999993   -0.000108499999    0.000053099998    0.000027699998   -0.000013900000
    0.000463599987   -0.000195499998    0.000095699997    0.000049899996   -0.000024999999
    0.000861599975   -0.000362799997    0.000177699995    0.000092599992   -0.000046399999
    0.001684799952   -0.000709099994    0.000347199990    0.000180999984   -0.000090599998
    0.003300199906   -0.001389199989    0.000680199981    0.000354699968   -0.000177499995
    0.006328899819   -0.002668199979    0.001306799963    0.000681599939   -0.000341099991
    0.011786299663   -0.004987799961    0.002444599930    0.001275099885   -0.000638199983
    0.021117399396   -0.009001199930    0.004417299874    0.002304899793   -0.001153899969
    0.036297198963   -0.015660699878    0.007701699780    0.004020599639   -0.002012899945
    0.059754598292   -0.026286599796    0.012972599629    0.006779099391   -0.003395299908
    0.093674397323   -0.042431799671    0.021048699398    0.011011499011   -0.005515399850
    0.140759295977   -0.066612399483    0.033314699046    0.017472098430   -0.008761499762
    0.201788294233   -0.101799899210    0.051519998525    0.027082597566   -0.013577799631
    0.254872492715   -0.140665598908    0.072490897925    0.038336196555   -0.019281599475
    0.246090992966   -0.144434998879    0.075160897849    0.039726796430   -0.019909199458
    0.143656195894   -0.026831399792    0.003384999903    0.000331099970   -0.000069599998
    0.031601099097    0.293520897721   -0.242547193058   -0.145158886956    0.075721297940
    0.000611699983    0.535058495846   -0.549775384264   -0.348292768703    0.183359295011
    0.000279499992    0.281319597816   -0.279236192008   -0.189936682932    0.105582197127
   -0.000220899994    0.015822299877    0.583158383309    0.619135244365   -0.385171489520
    0.000093599997    0.011783999909    0.668225380874    0.940789215461   -0.608286683450
   -0.000056199998   -0.006713699948    0.178963494878   -0.148937586617    0.140911996166
    0.000040399999    0.004079099968   -0.002745299921   -0.993084410762    1.236347466362
   -0.000018299999   -0.002131699983    0.005133999853   -0.376013466212    0.441945087976
    0.000006900000    0.000916299993   -0.002109999940   -0.022909797941   -1.193057067540
   -0.000003500000   -0.000423899997    0.000839399976    0.001390299875   -0.498566586435
    0.000001600000    0.000187999999   -0.000375699989   -0.000699299937    0.019268099476
   -0.000000400000   -0.000055700000    0.000115499997    0.000251699977   -0.009605199739
    0.000000100000    0.000014200000   -0.000028599999   -0.000054999995    0.002233899939
    0.000000000000   -0.000005400000    0.000010900000    0.000021199998   -0.000849799977
   26    4
    1423.192480     360.550540      90.285142      18.557242
 504149370.000000000
  70978257.000000000
  14299984.000000000
   3533643.200000000
   1009014.300000000
    322840.240000000
    113159.350000000
     42985.918000000
     17521.746000000
      7587.473900000
      3461.031000000
      1653.768300000
       824.246180000
       426.324390000
       227.329510000
       123.695340000
        68.549377000
        38.321450000
        21.126263000
        11.741960000
         6.427229000
         3.458391400
         1.792928800
         0.808709080
         0.369493020
         0.152165480
    0.000007000000   -0.000003700000   -0.000002000000   -0.000000900000
    0.000022399999   -0.000011900000   -0.000006200000   -0.000003000000
    0.000061299997   -0.000032499999   -0.000017100000   -0.000008299999
    0.000153199992   -0.000081399997   -0.000042700000   -0.000020699999
    0.000363799982   -0.000193699993   -0.000101699999   -0.000049199997
    0.000842499957   -0.000449899984   -0.000236399998   -0.000114499992
    0.001942899902   -0.001041899963   -0.000547899994   -0.000265399982
    0.004491999773   -0.002422099915   -0.001275399987   -0.000617999958
    0.010501799469   -0.005708799799   -0.003012199968   -0.001460199902
    0.024709898751   -0.013588599521   -0.007191699924   -0.003489799765
    0.057283297104   -0.032093698870   -0.017062899820   -0.008287099443
    0.123763793743   -0.071291997490   -0.038189199597   -0.018592498750
    0.229121488416   -0.137160195170   -0.074203899217   -0.036199097565
    0.322787583681   -0.199120792988   -0.108746698853   -0.053237096420
    0.289178185380   -0.140185595064   -0.068030399283   -0.031991297848
    0.129379793459    0.152471094631    0.137954398545    0.075500994922
    0.018825399048    0.482542483008    0.425757495510    0.236485684095
    0.001038999947    0.395026386090    0.288865296954    0.144007490315
   -0.000414399979    0.106807996239   -0.350158796307   -0.286718280717
    0.000154999992    0.004970099825   -0.645430993193   -0.602782359460
   -0.000125499994    0.001038099963   -0.251904397343   -0.020274998636
    0.000077299996   -0.000567699980   -0.019772299791    0.702525852751
   -0.000029099999    0.000147899995   -0.001473599984    0.470951868326
    0.000012699999   -0.000070499998    0.000351099996    0.059402496005
   -0.000005100000    0.000028099999   -0.000111699999   -0.001627899891
    0.000001300000   -0.000007300000    0.000025400000    0.000539399964
   18    2
     287.085500      62.130310
     41478.171000000
     10322.581000000
      3542.567700000
      1441.811600000
       654.428050000
       320.471690000
       166.156990000
        89.665823000
        49.944825000
        28.278501000
        15.969977000
         9.144998100
         5.264708900
         3.012235400
         2.093703800
         1.496035600
         0.805327910
         0.362063640
    0.000094699993   -0.000053499995
    0.000602199958   -0.000341099969
    0.003037099790   -0.001727099844
    0.012901199108   -0.007392499333
    0.045010996888   -0.026064997646
    0.123932491431   -0.073138493396
    0.251188782633   -0.148804086564
    0.348870475879   -0.196497182258
    0.286693180178   -0.080895992696
    0.122136291556    0.215831380512
    0.021870498488    0.443605159945
    0.000804199944    0.345223668828
    0.000404599972    0.116495689481
   -0.000390799973    0.015114798635
    0.000344899976   -0.000100499991
   -0.000169999988    0.000583199947
    0.000023499998   -0.000069199994
   -0.000005200000    0.000002300000
   13    1
      33.214736
      2127.885900000
       721.859990000
       307.203420000
       147.076710000
        74.941263000
        39.658517000
        21.136975000
        11.164745000
         5.698560000
         2.679885600
         1.193758300
         0.489250430
         0.174389740
   -0.000202800014
   -0.001796400126
   -0.010325800723
   -0.040983602871
   -0.116844508186
   -0.241483616917
   -0.348026824381
   -0.330618723162
   -0.166214811644
   -0.028147901972
    0.000053300004
   -0.000340000024
    0.000067800005
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Pu.AE.Paulovic.35s26p18d13f.7s5p4d2f.94e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32781155D+13 0.30912095D+12 0.48778233D+11 0.10068205D+11 0.24958917D+10 0.72333955D+09
 0.24111840D+09 0.86617857D+08 0.30900291D+08 0.10755812D+08 0.37274086D+07 0.13136285D+07
 0.47991795D+06 0.18458951D+06 0.75320450D+05 0.32755376D+05 0.15113137D+05 0.72610425D+04
 0.35767764D+04 0.18038000D+04 0.92741176D+03 0.47170277D+03 0.24284770D+03 0.12390451D+03
 0.71154470D+02 0.39271052D+02 0.21186551D+02 0.12043577D+02 0.67219276D+01 0.32143039D+01
 0.15591682D+01 0.76000372D+00 0.32171461D+00 0.77796063D-01 0.29873307D-01
 0.0000022 -0.0000009  0.0000005  0.0000002 -0.0000001  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000086 -0.0000037  0.0000018  0.0000009 -0.0000005  0.0000002 -0.0000001 0.0 0.0 0.0 0.0
 0.0000244 -0.0000104  0.0000051  0.0000027 -0.0000013  0.0000006 -0.0000002 0.0 0.0 0.0 0.0
 0.0000601 -0.0000255  0.0000125  0.0000065 -0.0000033  0.0000015 -0.0000004 0.0 0.0 0.0 0.0
 0.0001317 -0.0000557  0.0000273  0.0000142 -0.0000071  0.0000032 -0.0000009 0.0 0.0 0.0 0.0
 0.0002575 -0.0001087  0.0000532  0.0000278 -0.0000139  0.0000062 -0.0000018 0.0 0.0 0.0 0.0
 0.0004642 -0.0001957  0.0000958  0.0000500 -0.0000250  0.0000111 -0.0000033 0.0 0.0 0.0 0.0
 0.0008613 -0.0003627  0.0001776  0.0000926 -0.0000464  0.0000206 -0.0000061 0.0 0.0 0.0 0.0
 0.0016850 -0.0007091  0.0003472  0.0001811 -0.0000907  0.0000403 -0.0000118 0.0 0.0 0.0 0.0
 0.0033000 -0.0013891  0.0006801  0.0003547 -0.0001776  0.0000790 -0.0000232 0.0 0.0 0.0 0.0
 0.0063290 -0.0026682  0.0013068  0.0006816 -0.0003414  0.0001518 -0.0000445 0.0 0.0 0.0 0.0
 0.0117876 -0.0049885  0.0024449  0.0012753 -0.0006387  0.0002840 -0.0000833 0.0 0.0 0.0 0.0
 0.0211147 -0.0089997  0.0044165  0.0023047 -0.0011546  0.0005135 -0.0001506 0.0 0.0 0.0 0.0
 0.0362838 -0.0156558  0.0076992  0.0040195 -0.0020134  0.0008953 -0.0002627 0.0 0.0 0.0 0.0
 0.0597402 -0.0262768  0.0129680  0.0067774 -0.0033973  0.0015111 -0.0004432 0.0 0.0 0.0 0.0
 0.0936742 -0.0424401  0.0210522  0.0110130 -0.0055178  0.0024536 -0.0007201 0.0 0.0 0.0 0.0
 0.1408147 -0.0666121  0.0333164  0.0174767 -0.0087751  0.0039054 -0.0011451 0.0 0.0 0.0 0.0
 0.2017220 -0.1018361  0.0515336  0.0270841 -0.0135722  0.0060336 -0.0017720 0.0 0.0 0.0 0.0
 0.2549769 -0.1405355  0.0724336  0.0383262 -0.0193271  0.0086153 -0.0025239 0.0 0.0 0.0 0.0
 0.2453933 -0.1445533  0.0752178  0.0397188 -0.0198269  0.0087938 -0.0025883 0.0 0.0 0.0 0.0
 0.1437411 -0.0261622  0.0031014  0.0002788 -0.0002467  0.0001564 -0.0000290 0.0 0.0 0.0 0.0
 0.0325138  0.2927793 -0.2426321 -0.1455049  0.0764146 -0.0344586  0.0100935 0.0 0.0 0.0 0.0
-0.0000078  0.5335351 -0.5464178 -0.3454562  0.1808953 -0.0811582  0.0239244 0.0 0.0 0.0 0.0
 0.0007932  0.2836554 -0.2890700 -0.1992667  0.1137433 -0.0527280  0.0153751 0.0 0.0 0.0 0.0
-0.0006622  0.0142040  0.5815587  0.6169602 -0.3892496  0.1841970 -0.0541859 0.0 0.0 0.0 0.0
 0.0004052  0.0132131  0.6800914  0.9522436 -0.6058083  0.2844023 -0.0848910 0.0 0.0 0.0 0.0
-0.0002824 -0.0077054  0.1748345 -0.1539826  0.1242947 -0.0546539  0.0173253 0.0 0.0 0.0 0.0
 0.0001945  0.0047708 -0.0013809 -0.9868745  1.2679339 -0.7338221  0.2224441 0.0 0.0 0.0 0.0
-0.0000966 -0.0024284  0.0041096 -0.3813354  0.3869413 -0.1941605  0.0614961 0.0 0.0 0.0 0.0
 0.0000408  0.0010525 -0.0016518 -0.0211412 -1.1920524  1.0935405 -0.3674997 0.0 0.0 0.0 0.0
-0.0000210 -0.0005247  0.0006708  0.0013165 -0.4533435  0.5944383 -0.2113838 0.0 0.0 0.0 0.0
 0.0000091  0.0002274 -0.0002897 -0.0005516  0.0054187 -0.9807037  0.4380086 1.0 0.0 0.0 0.0
-0.0000026 -0.0000666  0.0000889  0.0002001 -0.0053331 -0.6344940  0.4788768 0.0 1.0 0.0 0.0
 0.0000007  0.0000167 -0.0000217 -0.0000387  0.0011474 -0.0098819 -0.6351738 0.0 0.0 1.0 0.0
-0.0000002 -0.0000064  0.0000086  0.0000140 -0.0004207  0.0003273 -0.6136970 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50538654D+09 0.71116197D+08 0.14360283D+08 0.35476628D+07 0.10119714D+07 0.32311412D+06
 0.11324895D+06 0.43003237D+05 0.17518345D+05 0.75868639D+04 0.34603898D+04 0.16541430D+04
 0.82430935D+03 0.42640533D+03 0.22735284D+03 0.12365800D+03 0.68534309D+02 0.38287905D+02
 0.21111975D+02 0.11731176D+02 0.64412924D+01 0.34466459D+01 0.17887219D+01 0.80763638D+00
 0.36842871D+00 0.15281276D+00
 0.0000070 -0.0000037 -0.0000020 -0.0000009  0.0000004 0.0 0.0 0.0 0.0
 0.0000223 -0.0000118 -0.0000062 -0.0000030  0.0000012 0.0 0.0 0.0 0.0
 0.0000610 -0.0000324 -0.0000170 -0.0000082  0.0000033 0.0 0.0 0.0 0.0
 0.0001528 -0.0000812 -0.0000426 -0.0000207  0.0000082 0.0 0.0 0.0 0.0
 0.0003635 -0.0001936 -0.0001016 -0.0000493  0.0000196 0.0 0.0 0.0 0.0
 0.0008428 -0.0004501 -0.0002365 -0.0001147  0.0000456 0.0 0.0 0.0 0.0
 0.0019409 -0.0010408 -0.0005473 -0.0002655  0.0001055 0.0 0.0 0.0 0.0
 0.0044950 -0.0024237 -0.0012764 -0.0006193  0.0002462 0.0 0.0 0.0 0.0
 0.0105028 -0.0057092 -0.0030126 -0.0014623  0.0005816 0.0 0.0 0.0 0.0
 0.0247181 -0.0135937 -0.0071946 -0.0034960  0.0013898 0.0 0.0 0.0 0.0
 0.0572711 -0.0320855 -0.0170599 -0.0082964  0.0033017 0.0 0.0 0.0 0.0
 0.1237095 -0.0712641 -0.0381748 -0.0186114  0.0074024 0.0 0.0 0.0 0.0
 0.2291513 -0.1371651 -0.0742143 -0.0362495  0.0144469 0.0 0.0 0.0 0.0
 0.3226640 -0.1990756 -0.1087182 -0.0533026  0.0212042 0.0 0.0 0.0 0.0
 0.2893867 -0.1402333 -0.0680820 -0.0320390  0.0127367 0.0 0.0 0.0 0.0
 0.1293429  0.1525263  0.1380930  0.0756355 -0.0310907 0.0 0.0 0.0 0.0
 0.0188185  0.4828688  0.4258970  0.2369840 -0.0966371 0.0 0.0 0.0 0.0
 0.0010160  0.3951104  0.2891104  0.1440999 -0.0584346 0.0 0.0 0.0 0.0
-0.0003966  0.1062199 -0.3521825 -0.2880656  0.1297225 0.0 0.0 0.0 0.0
 0.0001414  0.0051454 -0.6436564 -0.6038370  0.2760537 0.0 0.0 0.0 0.0
-0.0001160  0.0009091 -0.2515211 -0.0175672 -0.0203087 0.0 0.0 0.0 0.0
 0.0000718 -0.0004972 -0.0207544  0.7069730 -0.4716888 0.0 0.0 0.0 0.0
-0.0000268  0.0001182 -0.0010178  0.4672987 -0.2959550 1.0 0.0 0.0 0.0
 0.0000117 -0.0000574  0.0002173  0.0567554  0.4662354 0.0 1.0 0.0 0.0
-0.0000047  0.0000233 -0.0000548 -0.0018345  0.6313608 0.0 0.0 1.0 0.0
 0.0000012 -0.0000060  0.0000117  0.0004795  0.1648680 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.42829349D+05 0.10629422D+05 0.37193387D+04 0.15254383D+04 0.68947529D+03 0.33402402D+03
 0.17065464D+03 0.90285436D+02 0.48968966D+02 0.26724006D+02 0.14470380D+02 0.78312369D+01
 0.41278090D+01 0.21119130D+01 0.10185800D+01 0.40128074D+00 0.15110405D+00 0.52193793D-01
 0.0000912  0.0000515  0.0000231 -0.0000055 0.0 0.0 0.0 0.0
 0.0005663  0.0003209  0.0001441 -0.0000344 0.0 0.0 0.0 0.0
 0.0027435  0.0015593  0.0006996 -0.0001663 0.0 0.0 0.0 0.0
 0.0116654  0.0066828  0.0030098 -0.0007190 0.0 0.0 0.0 0.0
 0.0417225  0.0241311  0.0108710 -0.0025855 0.0 0.0 0.0 0.0
 0.1190740  0.0702181  0.0318445 -0.0076176 0.0 0.0 0.0 0.0
 0.2514771  0.1490126  0.0674739 -0.0160427 0.0 0.0 0.0 0.0
 0.3614576  0.2039913  0.0916166 -0.0219636 0.0 0.0 0.0 0.0
 0.2973136  0.0767267  0.0193725 -0.0037076 0.0 0.0 0.0 0.0
 0.1154694 -0.2638985 -0.1650050  0.0405126 0.0 0.0 0.0 0.0
 0.0152100 -0.4909947 -0.2998881  0.0760304 0.0 0.0 0.0 0.0
 0.0005938 -0.3123810 -0.0710914  0.0087092 0.0 0.0 0.0 0.0
-0.0000172 -0.0649466  0.4103671 -0.1219908 0.0 0.0 0.0 0.0
-0.0000082 -0.0020247  0.5215053 -0.1678796 0.0 0.0 0.0 0.0
-0.0000097 -0.0002212  0.2188836  0.0472485 1.0 0.0 0.0 0.0
 0.0000012  0.0000936  0.0201775  0.3752398 0.0 1.0 0.0 0.0
-0.0000008 -0.0000289 -0.0009702  0.5070161 0.0 0.0 1.0 0.0
 0.0000003  0.0000094  0.0003665  0.3030208 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21747161D+04 0.72611559D+03 0.30722081D+03 0.14710060D+03 0.74944847D+02 0.39628095D+02
 0.21042570D+02 0.11051084D+02 0.56298862D+01 0.26770306D+01 0.12231869D+01 0.52103734D+00
 0.19542018D+00
-0.0001956 -0.0000645 0.0 0.0 0.0
-0.0017938 -0.0005953 0.0 0.0 0.0
-0.0103387 -0.0034309 0.0 0.0 0.0
-0.0409533 -0.0136553 0.0 0.0 0.0
-0.1168835 -0.0390551 0.0 0.0 0.0
-0.2423521 -0.0799169 0.0 0.0 0.0
-0.3514524 -0.1062916 0.0 0.0 0.0
-0.3310882 -0.0657041 0.0 0.0 0.0
-0.1623076  0.1237518 0.0 0.0 0.0
-0.0271440  0.3560938 0.0 0.0 0.0
-0.0001090  0.4193213 1.0 0.0 0.0
-0.0003077  0.2916642 0.0 1.0 0.0
 0.0000539  0.1018384 0.0 0.0 1.0
*
End

*
/Am.ECP.Paulovic.14s10p12d9f.2s1p2d1f.27e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on AmQR(10D)
*
 27.000000         3

* S-type functions
   14    6
   8611243.920000000
    767906.218700000
    100897.762300000
     17624.613680000
      3783.043229000
       295.288548400
        49.982380300
        11.948023910
         4.661222566
         2.744871074
         0.613063724
         0.285891749
         0.061560914
         0.024262662
      0.000221648250      0.000058645503 0.0 0.0 0.0 0.0
      0.000852040080      0.000225443910 0.0 0.0 0.0 0.0
      0.002702404200      0.000715020170 0.0 0.0 0.0 0.0
      0.007630443200      0.002019150300 0.0 0.0 0.0 0.0
      0.017076691000      0.004518258300 0.0 0.0 0.0 0.0
     -0.114867620000     -0.030448990000 0.0 0.0 0.0 0.0
      0.374827420000      0.100182460000 0.0 0.0 0.0 0.0
     -0.846716870000     -0.233192460000 0.0 0.0 0.0 0.0
      0.114440170000      0.039260169000 0.0 0.0 0.0 0.0
      1.219510900000      0.361290890000 0.0 0.0 0.0 0.0
     -0.918676970000     -0.383638200000 1.0 0.0 0.0 0.0
     -0.442114750000     -0.340584460000 0.0 1.0 0.0 0.0
     -0.012916296000      0.689102560000 0.0 0.0 1.0 0.0
      0.002597598700      0.519697960000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10952.247260000
      2012.986928000
       543.295200100
        71.728542910
        14.122328040
         3.873329791
         2.629350157
         0.625243978
         0.285780111
         0.119284861
      0.002155833800 0.0 0.0 0.0 0.0
      0.011657030000 0.0 0.0 0.0 0.0
      0.033862645000 0.0 0.0 0.0 0.0
     -0.132917670000 0.0 0.0 0.0 0.0
      0.332879920000 0.0 0.0 0.0 0.0
     -0.249119560000 0.0 0.0 0.0 0.0
     -0.397513430000 1.0 0.0 0.0 0.0
      0.592464550000 0.0 1.0 0.0 0.0
      0.485668810000 0.0 0.0 1.0 0.0
      0.092131100000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1116.099027000
       313.214853300
       112.788848900
        20.757042220
        10.249603660
         4.699084746
         2.367915341
         1.139001268
         0.492920279
         0.180895214
         0.061163586
         0.023945234
      0.009802431200     -0.001654676000 0.0 0.0 0.0 0.0
      0.057879435000     -0.009853454100 0.0 0.0 0.0 0.0
      0.135159160000     -0.022694988000 0.0 0.0 0.0 0.0
     -0.317456210000      0.057383917000 0.0 0.0 0.0 0.0
     -0.216384960000      0.034641363000 0.0 0.0 0.0 0.0
      0.360341460000     -0.079205145000 0.0 0.0 0.0 0.0
      0.550204990000     -0.119238450000 0.0 0.0 0.0 0.0
      0.248761450000     -0.001745748000 0.0 0.0 0.0 0.0
      0.031196272000      0.203782380000 1.0 0.0 0.0 0.0
      0.000393268030      0.399945020000 0.0 1.0 0.0 0.0
      0.000227436700      0.436950960000 0.0 0.0 1.0 0.0
     -0.000063133713      0.248270600000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       321.877183200
       107.966228900
        43.757925370
        18.947564270
         4.068831896
         1.932746634
         0.892531328
         0.383156515
         0.143820541
     -0.005332277600 0.0 0.0 0.0
     -0.034354804000 0.0 0.0 0.0
     -0.101825420000 0.0 0.0 0.0
     -0.135744970000 0.0 0.0 0.0
      0.250920590000 0.0 0.0 0.0
      0.389990400000 0.0 0.0 0.0
      0.353445340000 1.0 0.0 0.0
      0.218677240000 0.0 1.0 0.0
      0.075475354000 0.0 0.0 1.0
*
* Core AIMP:Am DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    685218.110000000
    171221.704000000
     59509.296100000
     22327.178100000
      8759.424960000
      3467.517640000
      1436.780150000
       672.367678000
       249.774606000
       127.773490000
        26.563640100
        15.400268500
         6.310452400
         3.710969300
         2.028799500
      0.032230546826
      0.024326397291
      0.036585936738
      0.052237017742
      0.068021235319
      0.089944975376
      0.155320690216
      0.189180144189
      0.159496871248
      0.487934606097
      0.666946257813
      0.224571404657
      0.241394861882
      0.086580136874
      0.003747436249
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    9264.539400    1766.495980     456.983140     121.986074      28.437432
 3288375600000.000000000
  309120950000.000000000
   48248284000.000000000
    9936340600.000000000
    2475550800.000000000
     720428000.000000000
     241118400.000000000
      86600941.000000000
      30894257.000000000
      10761587.000000000
       3730108.800000000
       1313692.600000000
        479941.380000000
        184569.620000000
         75297.126000000
         32749.037000000
         15115.773000000
          7260.953800000
          3576.787300000
          1802.953000000
           923.849020000
           472.462130000
           242.447830000
           123.827180000
            70.392487000
            39.240752000
            21.290263000
            12.030573000
             6.720994300
             3.315526600
             1.558846700
             0.760207200
             0.321666330
             0.077939546
             0.030142432
    0.000002400000   -0.000001000000    0.000000500000    0.000000300000   -0.000000100000
    0.000009399999   -0.000004000000    0.000002000000    0.000001000000   -0.000000500000
    0.000026799998   -0.000011499999    0.000005600000    0.000002900000   -0.000001500000
    0.000065399996   -0.000027899998    0.000013700000    0.000007200000   -0.000003600000
    0.000141999992   -0.000060399996    0.000029700000    0.000015500001   -0.000007800000
    0.000275699984   -0.000117099993    0.000057400000    0.000030000001   -0.000015100000
    0.000494899971   -0.000209899987    0.000102900000    0.000053800002   -0.000027100000
    0.000917899946   -0.000388799977    0.000190600001    0.000099600003   -0.000050099999
    0.001786799894   -0.000756399954    0.000370800001    0.000193800006   -0.000097499999
    0.003484799794   -0.001475499911    0.000723300003    0.000378000012   -0.000190299998
    0.006665199606   -0.002826399830    0.001386000005    0.000724500023   -0.000364599995
    0.012368999269   -0.005264999682    0.002583600009    0.001350700044   -0.000679799991
    0.022054898696   -0.009456499430    0.004646500017    0.002430000079   -0.001223199984
    0.037752797767   -0.016387599012    0.008069500029    0.004222300137   -0.002125499973
    0.061853696342   -0.027381498348    0.013531300049    0.007087300229   -0.003569399954
    0.096407894299   -0.043958797349    0.021836800079    0.011450500371   -0.005766799925
    0.143980391485   -0.068610595862    0.034368300124    0.018066400585   -0.009110899882
    0.204724387893   -0.104009993726    0.052718600191    0.027779800899   -0.014001999819
    0.255480384891   -0.141764691449    0.073168200265    0.038781901255   -0.019622299746
    0.242409385664   -0.141207691483    0.073284300265    0.038787101256   -0.019519299748
    0.137496891869   -0.014776799109   -0.004701100017   -0.004281200139    0.002264199971
    0.028783298298    0.310928081246   -0.259324400938   -0.155909505047    0.081932898941
    0.000510899970    0.532367367889   -0.553387902001   -0.352804711421    0.186838797585
    0.000208599988    0.263815984087   -0.241519800873   -0.161952905243    0.091214898821
   -0.000161399990    0.012510699245    0.615303702225    0.665396121541   -0.419666094575
    0.000053299997    0.010540499364    0.644986202332    0.916816129680   -0.595660392300
   -0.000026799998   -0.005991999639    0.158834600574   -0.231132407482    0.206778097327
    0.000020599999    0.003588399784   -0.002780000010   -0.988636832005    1.292853883287
   -0.000008300000   -0.001862899888    0.004310300016   -0.333682010802    0.306569096037
    0.000002600000    0.000799799952   -0.001796800006   -0.018672200604   -1.215652384285
   -0.000001500000   -0.000368899978    0.000701700003    0.001290400042   -0.435826094366
    0.000000600000    0.000163399990   -0.000312100001   -0.000662700021    0.017636899772
   -0.000000200000   -0.000048399997    0.000096300000    0.000241700008   -0.007982499897
    0.000000000000    0.000012299999   -0.000023800000   -0.000054100002    0.001816799977
    0.000000000000   -0.000004700000    0.000009000000    0.000020800001   -0.000688599991
   26    4
    1461.026260     371.653520      93.658182      19.332227
 502976140.000000000
  70692481.000000000
  14267308.000000000
   3527264.400000000
   1007384.500000000
    322182.070000000
    113088.930000000
     42967.250000000
     17523.619000000
      7589.673000000
      3460.996300000
      1653.619500000
       824.093540000
       426.292660000
       227.273550000
       123.671640000
        68.566837000
        38.277212000
        21.156597000
        11.736302000
         6.362831900
         3.472374000
         1.807719400
         0.816299680
         0.370812380
         0.151318230
    0.000007500000   -0.000004000000   -0.000002100000   -0.000001000000
    0.000023800001   -0.000012700000   -0.000006700000   -0.000003200000
    0.000065000004   -0.000034600000   -0.000018200000   -0.000008900000
    0.000162300009   -0.000086399999   -0.000045499999   -0.000022200000
    0.000384900022   -0.000205399998   -0.000108199997   -0.000052700000
    0.000889000051   -0.000475799996   -0.000250699994   -0.000122200000
    0.002043300118   -0.001098199992   -0.000579299986   -0.000282400000
    0.004715700272   -0.002548599981   -0.001346199968   -0.000656399999
    0.010979700634   -0.005983499955   -0.003167299925   -0.001545399998
    0.025767001488   -0.014208299892   -0.007543099822   -0.003682599996
    0.059475103435   -0.033422399747   -0.017830799578   -0.008718399991
    0.127677207375   -0.073788599441   -0.039654799062   -0.019421299980
    0.234125313524   -0.140626198935   -0.076366298194   -0.037519999962
    0.324865318765   -0.200457598482   -0.109695097406   -0.053968799945
    0.284198416416   -0.132309998998   -0.062932798512   -0.029675999970
    0.122335707067    0.170327598710    0.152637596390    0.084405299914
    0.016744200967    0.490617296285    0.435355489705    0.242934699751
    0.000897500052    0.381047597115    0.266942593687    0.132155299865
   -0.000391500023    0.096350599270   -0.383811290924   -0.319009299673
    0.000137400008    0.004648899965   -0.642549284805   -0.605482999380
   -0.000110900006    0.000577299996   -0.227689894616    0.038187799961
    0.000071500004   -0.000364599997   -0.013592599679    0.712678899270
   -0.000026400002    0.000060000000   -0.002138399949    0.439887399550
    0.000011200001   -0.000033400000    0.000578899986    0.052001099947
   -0.000004400000    0.000012900000   -0.000197199995   -0.001285799999
    0.000001100000   -0.000003400000    0.000046199999    0.000423300000
   18    2
     295.925740      64.629046
     41531.818000000
     10332.260000000
      3544.166400000
      1441.998000000
       654.254820000
       320.416380000
       166.128600000
        89.652315000
        49.936783000
        28.272173000
        15.963992000
         9.124925200
         5.253332600
         3.015025900
         2.107663800
         1.499358100
         0.807228200
         0.362478880
    0.000100300005   -0.000056900004
    0.000636500029   -0.000362300025
    0.003203400147   -0.001830900124
    0.013561200623   -0.007809000529
    0.047071102163   -0.027409101856
    0.128514005906   -0.076240505162
    0.257431311831   -0.153177210371
    0.351052016133   -0.197239113354
    0.280291312881   -0.069979904738
    0.115184905294    0.232569915746
    0.019399000892    0.451089230540
    0.000716300033    0.332523022513
    0.000273400013    0.103993607041
   -0.000272400013    0.012835400869
    0.000220000010   -0.000366900025
   -0.000110500005    0.000636400043
    0.000012800001   -0.000075100005
   -0.000003700000    0.000008100001
   13    1
      35.030708
      2124.333800000
       715.338520000
       304.861780000
       146.860240000
        75.161491000
        39.830148000
        21.202929000
        11.216841000
         5.791973800
         2.828218700
         1.306066300
         0.548743120
         0.197931590
   -0.000221399995
   -0.001978399958
   -0.011154899764
   -0.043199399087
   -0.121607797429
   -0.248558894744
   -0.352955892537
   -0.322534793180
   -0.153805596748
   -0.026141299447
   -0.000422799991
   -0.000158499997
    0.000038999999
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3

SOC
*******************************************************************************************
*                                                                                         *
*   Am.AE.Paulovic.35s26p18d13f.7s5p4d2f.95e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.31872029D+13 0.31095827D+12 0.48643460D+11 0.99782793D+10 0.24794219D+10 0.72381293D+09
 0.24111840D+09 0.86567119D+08 0.30894257D+08 0.10757384D+08 0.37270074D+07 0.13137247D+07
 0.47993552D+06 0.18464173D+06 0.75339853D+05 0.32753094D+05 0.15113030D+05 0.72622955D+04
 0.35769299D+04 0.18020306D+04 0.92616352D+03 0.47172206D+03 0.24267743D+03 0.12349052D+03
 0.70836923D+02 0.39250333D+02 0.22119772D+02 0.12139191D+02 0.68458146D+01 0.32559215D+01
 0.15586248D+01 0.75586563D+00 0.31817345D+00 0.59282337D-01 0.24466773D-01
 0.0000024 -0.0000010  0.0000005  0.0000003 -0.0000001  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000093 -0.0000040  0.0000020  0.0000010 -0.0000005  0.0000002 -0.0000001 0.0 0.0 0.0 0.0
 0.0000267 -0.0000114  0.0000056  0.0000029 -0.0000015  0.0000006 -0.0000002 0.0 0.0 0.0 0.0
 0.0000655 -0.0000279  0.0000137  0.0000072 -0.0000036  0.0000016 -0.0000004 0.0 0.0 0.0 0.0
 0.0001416 -0.0000603  0.0000296  0.0000155 -0.0000078  0.0000034 -0.0000009 0.0 0.0 0.0 0.0
 0.0002750 -0.0001168  0.0000573  0.0000299 -0.0000151  0.0000066 -0.0000017 0.0 0.0 0.0 0.0
 0.0004969 -0.0002107  0.0001033  0.0000540 -0.0000272  0.0000119 -0.0000031 0.0 0.0 0.0 0.0
 0.0009169 -0.0003884  0.0001904  0.0000995 -0.0000501  0.0000219 -0.0000058 0.0 0.0 0.0 0.0
 0.0017870 -0.0007565  0.0003708  0.0001938 -0.0000975  0.0000427 -0.0000113 0.0 0.0 0.0 0.0
 0.0034884 -0.0014770  0.0007240  0.0003784 -0.0001904  0.0000834 -0.0000220 0.0 0.0 0.0 0.0
 0.0066655 -0.0028265  0.0013860  0.0007245 -0.0003646  0.0001598 -0.0000422 0.0 0.0 0.0 0.0
 0.0123629 -0.0052625  0.0025823  0.0013500 -0.0006794  0.0002977 -0.0000786 0.0 0.0 0.0 0.0
 0.0220560 -0.0094567  0.0046466  0.0024300 -0.0012232  0.0005360 -0.0001415 0.0 0.0 0.0 0.0
 0.0377199 -0.0163741  0.0080627  0.0042188 -0.0021235  0.0009305 -0.0002458 0.0 0.0 0.0 0.0
 0.0618505 -0.0273769  0.0135293  0.0070858 -0.0035688  0.0015641 -0.0004129 0.0 0.0 0.0 0.0
 0.0964586 -0.0439899  0.0218511  0.0114590 -0.0057695  0.0025284 -0.0006682 0.0 0.0 0.0 0.0
 0.1439964 -0.0685959  0.0343638  0.0180609 -0.0091110  0.0039946 -0.0010537 0.0 0.0 0.0 0.0
 0.2045609 -0.1039872  0.0526993  0.0277774 -0.0139906  0.0061317 -0.0016226 0.0 0.0 0.0 0.0
 0.2558287 -0.1417903  0.0731976  0.0387767 -0.0196415  0.0086208 -0.0022699 0.0 0.0 0.0 0.0
 0.2420287 -0.1414536  0.0733896  0.0388936 -0.0195166  0.0085444 -0.0022720 0.0 0.0 0.0 0.0
 0.1372170 -0.0138794 -0.0050902 -0.0045979  0.0023013 -0.0010038  0.0002968 0.0 0.0 0.0 0.0
 0.0295555  0.3103155 -0.2595534 -0.1558592  0.0821889 -0.0364421  0.0095768 0.0 0.0 0.0 0.0
-0.0000514  0.5318129 -0.5510369 -0.3517321  0.1855879 -0.0822696  0.0218995 0.0 0.0 0.0 0.0
 0.0006919  0.2663454 -0.2503114 -0.1671207  0.0959633 -0.0435116  0.0112111 0.0 0.0 0.0 0.0
-0.0005955  0.0090809  0.6205095  0.6620999 -0.4209505  0.1955106 -0.0513841 0.0 0.0 0.0 0.0
 0.0003816  0.0131429  0.6415388  0.9334736 -0.5997730  0.2795107 -0.0758023 0.0 0.0 0.0 0.0
-0.0002568 -0.0075383  0.1560125 -0.2240903  0.1821761 -0.0860140  0.0251839 0.0 0.0 0.0 0.0
 0.0001628  0.0042117  0.0083181 -0.9892441  1.3145441 -0.7501063  0.2025212 0.0 0.0 0.0 0.0
-0.0000825 -0.0021834  0.0000803 -0.3463939  0.2867927 -0.1285746  0.0389599 0.0 0.0 0.0 0.0
 0.0000334  0.0009091 -0.0001594 -0.0227730 -1.2098826  1.1168146 -0.3384328 0.0 0.0 0.0 0.0
-0.0000167 -0.0004400 -0.0000459  0.0030719 -0.4102921  0.4818805 -0.1430112 0.0 0.0 0.0 0.0
 0.0000071  0.0001868  0.0000165 -0.0013014  0.0082445 -0.9447291  0.3554112 1.0 0.0 0.0 0.0
-0.0000019 -0.0000506  0.0000005  0.0003878 -0.0049499 -0.6171052  0.4189599 0.0 1.0 0.0 0.0
 0.0000004  0.0000114  0.0000008 -0.0000785  0.0009393 -0.0150721 -0.6941820 0.0 0.0 1.0 0.0
-0.0000002 -0.0000052  0.0000003  0.0000361 -0.0004118  0.0033984 -0.5003365 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50149133D+09 0.70692481D+08 0.14336663D+08 0.35481693D+07 0.10127988D+07 0.32304355D+06
 0.11321368D+06 0.43000916D+05 0.17522483D+05 0.75856819D+04 0.34613390D+04 0.16539374D+04
 0.82408287D+03 0.42642862D+03 0.22731589D+03 0.12359751D+03 0.68591433D+02 0.38312173D+02
 0.21084716D+02 0.11748421D+02 0.64303410D+01 0.34573405D+01 0.17902443D+01 0.81625414D+00
 0.36429423D+00 0.15139883D+00
 0.0000075 -0.0000040 -0.0000021 -0.0000010  0.0000004 0.0 0.0 0.0 0.0
 0.0000237 -0.0000126 -0.0000066 -0.0000032  0.0000012 0.0 0.0 0.0 0.0
 0.0000646 -0.0000344 -0.0000181 -0.0000088  0.0000034 0.0 0.0 0.0 0.0
 0.0001615 -0.0000860 -0.0000453 -0.0000221  0.0000085 0.0 0.0 0.0 0.0
 0.0003839 -0.0002049 -0.0001079 -0.0000526  0.0000203 0.0 0.0 0.0 0.0
 0.0008892 -0.0004759 -0.0002508 -0.0001222  0.0000472 0.0 0.0 0.0 0.0
 0.0020424 -0.0010977 -0.0005790 -0.0002823  0.0001090 0.0 0.0 0.0 0.0
 0.0047145 -0.0025480 -0.0013459 -0.0006563  0.0002535 0.0 0.0 0.0 0.0
 0.0109932 -0.0059907 -0.0031709 -0.0015472  0.0005978 0.0 0.0 0.0 0.0
 0.0257740 -0.0142127 -0.0075462 -0.0036850  0.0014233 0.0 0.0 0.0 0.0
 0.0594224 -0.0333915 -0.0178124 -0.0087090  0.0033671 0.0 0.0 0.0 0.0
 0.1277077 -0.0738093 -0.0396720 -0.0194366  0.0075108 0.0 0.0 0.0 0.0
 0.2340883 -0.1405925 -0.0763319 -0.0374954  0.0145174 0.0 0.0 0.0 0.0
 0.3246834 -0.2003806 -0.1096995 -0.0540112  0.0208746 0.0 0.0 0.0 0.0
 0.2845135 -0.1323881 -0.0628523 -0.0295545  0.0113947 0.0 0.0 0.0 0.0
 0.1223073  0.1704876  0.1525170  0.0841652 -0.0335809 0.0 0.0 0.0 0.0
 0.0166544  0.4895766  0.4350939  0.2432462 -0.0964099 0.0 0.0 0.0 0.0
 0.0009344  0.3819949  0.2660650  0.1307056 -0.0512328 0.0 0.0 0.0 0.0
-0.0004077  0.0967272 -0.3847333 -0.3184770  0.1393238 0.0 0.0 0.0 0.0
 0.0001488  0.0039679 -0.6362270 -0.6037758  0.2686521 0.0 0.0 0.0 0.0
-0.0001147  0.0008695 -0.2301242  0.0369065 -0.0505369 0.0 0.0 0.0 0.0
 0.0000714 -0.0004943 -0.0159793  0.7220332 -0.4666671 0.0 0.0 0.0 0.0
-0.0000267  0.0001182 -0.0014063  0.4329592 -0.2541808 1.0 0.0 0.0 0.0
 0.0000115 -0.0000562  0.0003513  0.0491523  0.4575089 0.0 1.0 0.0 0.0
-0.0000045  0.0000218 -0.0001095 -0.0005397  0.6202578 0.0 0.0 1.0 0.0
 0.0000012 -0.0000057  0.0000292  0.0003554  0.1758632 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.41079519D+05 0.10260596D+05 0.35309871D+04 0.14466307D+04 0.66302207D+03 0.32841006D+03
 0.17227921D+03 0.93434280D+02 0.51532692D+02 0.28296834D+02 0.15298245D+02 0.82120529D+01
 0.42342441D+01 0.21169098D+01 0.98533365D+00 0.34271014D+00 0.10814487D+00 0.31614484D-01
 0.0001017  0.0000577  0.0000260 -0.0000044 0.0 0.0 0.0 0.0
 0.0006423  0.0003656  0.0001652 -0.0000281 0.0 0.0 0.0 0.0
 0.0032091  0.0018339  0.0008274 -0.0001395 0.0 0.0 0.0 0.0
 0.0133384  0.0076821  0.0034821 -0.0005928 0.0 0.0 0.0 0.0
 0.0453895  0.0264166  0.0119668 -0.0020179 0.0 0.0 0.0 0.0
 0.1219845  0.0723484  0.0330371 -0.0056371 0.0 0.0 0.0 0.0
 0.2449589  0.1457805  0.0663116 -0.0111539 0.0 0.0 0.0 0.0
 0.3483663  0.1978702  0.0896182 -0.0154009 0.0 0.0 0.0 0.0
 0.2977800  0.0851081  0.0238901 -0.0031923 0.0 0.0 0.0 0.0
 0.1236920 -0.2470599 -0.1565204  0.0268463 0.0 0.0 0.0 0.0
 0.0171947 -0.4957233 -0.3072384  0.0560890 0.0 0.0 0.0 0.0
 0.0006973 -0.3266487 -0.0782742  0.0062845 0.0 0.0 0.0 0.0
-0.0000585 -0.0655477  0.4338948 -0.0890191 0.0 0.0 0.0 0.0
 0.0000012 -0.0013134  0.5260522 -0.1212363 0.0 0.0 0.0 0.0
-0.0000173 -0.0003410  0.1995458  0.0555291 1.0 0.0 0.0 0.0
 0.0000019  0.0000939  0.0145819  0.3147701 0.0 1.0 0.0 0.0
-0.0000012 -0.0000313 -0.0009211  0.4982079 0.0 0.0 1.0 0.0
 0.0000004  0.0000096  0.0003124  0.4306762 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21398945D+04 0.71781686D+03 0.30548798D+03 0.14694941D+03 0.75131041D+02 0.39785503D+02
 0.21174203D+02 0.11207384D+02 0.57822214D+01 0.28024603D+01 0.12756425D+01 0.51532166D+00
 0.17416542D+00
-0.0002187 -0.0000717 0.0 0.0 0.0
-0.0019666 -0.0006458 0.0 0.0 0.0
-0.0111256 -0.0036657 0.0 0.0 0.0
-0.0432320 -0.0142723 0.0 0.0 0.0
-0.1218288 -0.0404174 0.0 0.0 0.0
-0.2490411 -0.0810995 0.0 0.0 0.0
-0.3529252 -0.1053432 0.0 0.0 0.0
-0.3221643 -0.0589772 0.0 0.0 0.0
-0.1539627  0.1258937 0.0 0.0 0.0
-0.0258130  0.3452814 0.0 0.0 0.0
-0.0002929  0.4198552 1.0 0.0 0.0
-0.0001642  0.3090159 0.0 1.0 0.0
 0.0000426  0.1160160 0.0 0.0 1.0
*
End

*
/Cm.ECP.Paulovic.14s10p12d9f.2s1p2d1f.28e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on CmQR(9D)
*
 28.000000         3

* S-type functions
   14    6
  10854952.670000000
   1009754.537000000
    144538.914700000
     24190.734060000
      4379.707421000
       304.630250600
        51.516506530
        12.416651280
         3.461864389
         2.536785020
         0.660488187
         0.304216802
         0.080406470
         0.030987524
      0.000208006450     -0.000059001599 0.0 0.0 0.0 0.0
      0.000747120210     -0.000211927120 0.0 0.0 0.0 0.0
      0.002242637800     -0.000636124210 0.0 0.0 0.0 0.0
      0.007083367600     -0.002009428300 0.0 0.0 0.0 0.0
      0.018443713000     -0.005231615800 0.0 0.0 0.0 0.0
     -0.116561160000      0.033128337000 0.0 0.0 0.0 0.0
      0.384594790000     -0.110259220000 0.0 0.0 0.0 0.0
     -0.865560920000      0.255658600000 0.0 0.0 0.0 0.0
      0.681208650000     -0.226204640000 0.0 0.0 0.0 0.0
      0.701586840000     -0.225492850000 0.0 0.0 0.0 0.0
     -0.969150490000      0.460732800000 1.0 0.0 0.0 0.0
     -0.425766900000      0.346047670000 0.0 1.0 0.0 0.0
     -0.007458412600     -0.627206620000 0.0 0.0 1.0 0.0
      0.000608502610     -0.614184080000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10958.513120000
      2048.117109000
       557.056345000
        73.806921350
        14.608233380
         3.763328334
         2.507285545
         0.679047369
         0.314066304
         0.129868412
      0.002310774600 0.0 0.0 0.0 0.0
      0.012155680000 0.0 0.0 0.0 0.0
      0.034899982000 0.0 0.0 0.0 0.0
     -0.137770930000 0.0 0.0 0.0 0.0
      0.344643650000 0.0 0.0 0.0 0.0
     -0.380635540000 0.0 0.0 0.0 0.0
     -0.295392110000 1.0 0.0 0.0 0.0
      0.601163520000 0.0 1.0 0.0 0.0
      0.490442800000 0.0 0.0 1.0 0.0
      0.090207484000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1148.572366000
       322.323633200
       116.096236800
        21.273637180
        10.262362170
         5.115517108
         2.590470209
         1.277999773
         0.562736410
         0.243420637
         0.101726594
         0.037534636
      0.009943302400     -0.002529424400 0.0 0.0 0.0 0.0
      0.058603680000     -0.015049783000 0.0 0.0 0.0 0.0
      0.137252270000     -0.034711732000 0.0 0.0 0.0 0.0
     -0.328343160000      0.089908141000 0.0 0.0 0.0 0.0
     -0.226790100000      0.054562240000 0.0 0.0 0.0 0.0
      0.345478680000     -0.114043140000 0.0 0.0 0.0 0.0
      0.549961280000     -0.189785480000 0.0 0.0 0.0 0.0
      0.270476230000     -0.005558669800 0.0 0.0 0.0 0.0
      0.038766771000      0.293764260000 1.0 0.0 0.0 0.0
     -0.000892678530      0.437661210000 0.0 1.0 0.0 0.0
      0.000628875970      0.371403060000 0.0 0.0 1.0 0.0
     -0.000237606210      0.120694980000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       337.302344400
       113.131218400
        45.853082750
        19.842886980
         4.272395361
         2.047787622
         0.967768726
         0.434532501
         0.174214591
     -0.005472282500 0.0 0.0 0.0
     -0.035574931000 0.0 0.0 0.0
     -0.107106230000 0.0 0.0 0.0
     -0.144873510000 0.0 0.0 0.0
      0.266402430000 0.0 0.0 0.0
      0.400803330000 0.0 0.0 0.0
      0.343307970000 1.0 0.0 0.0
      0.192026740000 0.0 1.0 0.0
      0.053698421000 0.0 0.0 1.0
*
* Core AIMP:Cm DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    790303.380000000
    218293.477000000
     82408.844500000
     33275.663200000
     14046.186100000
      6083.239820000
      2656.782540000
      1236.226270000
       625.729925000
       241.087794000
       130.327406000
        27.019578500
        14.365880700
         5.953745050
         3.180646080
      0.028782254514
      0.019498207587
      0.028455145627
      0.040269728645
      0.052919855169
      0.065009372550
      0.090714817901
      0.152503106133
      0.157157680393
      0.157842734976
      0.457119474885
      0.679759662645
      0.199798226720
      0.255015612022
      0.043725548804
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    9508.357400    1820.483120     472.681520     127.137856      30.087728
 3288375600000.000000000
  309000220000.000000000
   48248284000.000000000
    9936340600.000000000
    2475550800.000000000
     720428000.000000000
     241120930.000000000
      86600941.000000000
      30893502.000000000
      10774206.000000000
       3731439.400000000
       1313693.700000000
        479871.080000000
        184487.440000000
         75267.719000000
         32749.037000000
         15119.203000000
          7260.953800000
          3578.595900000
          1802.909000000
           922.970270000
           472.832840000
           242.406190000
           121.383580000
            70.366173000
            39.279946000
            21.294595000
            12.029613000
             6.671785200
             3.319806600
             1.536578400
             0.760444840
             0.321546220
             0.078529814
             0.030609801
    0.000002600000   -0.000001200000    0.000000600000    0.000000300000   -0.000000200000
    0.000010300000   -0.000004499999    0.000002200000    0.000001100000   -0.000000600000
    0.000029199999   -0.000012599999    0.000006200000    0.000003200000   -0.000001600000
    0.000070799999   -0.000030399997    0.000014900001    0.000007800000   -0.000004000000
    0.000152999997   -0.000065499993    0.000032200002    0.000016900000   -0.000008499999
    0.000295699994   -0.000126399986    0.000062000003    0.000032500000   -0.000016499999
    0.000528599990   -0.000225499975    0.000110700006    0.000058000000   -0.000029399998
    0.000978099981   -0.000416799953    0.000204600011    0.000107200000   -0.000054199996
    0.001893699964   -0.000806399909    0.000395800021    0.000207300001   -0.000104999991
    0.003681099929   -0.001567699823    0.000769400041    0.000403100001   -0.000203999983
    0.007023799865   -0.002995899662    0.001470900077    0.000770600003   -0.000390099968
    0.012973699750   -0.005554999374    0.002729200144    0.001430000005   -0.000723999941
    0.023045999556   -0.009940398880    0.004890300257    0.002563300009   -0.001297899894
    0.039273999243   -0.017152698068    0.008456800445    0.004435000016   -0.002245799816
    0.064002698767   -0.028511996788    0.014108800743    0.007406500026   -0.003752199692
    0.099147098090   -0.045510794873    0.022638701192    0.011898700042   -0.006028099506
    0.147214297164   -0.070629592043    0.035433601866    0.018669300066   -0.009470299223
    0.207484396003   -0.106164388039    0.053890502837    0.028466400101   -0.014434198816
    0.255753595073   -0.142554283939    0.073670803879    0.039132700139   -0.019915098367
    0.238950195397   -0.137934284460    0.071338203756    0.037803800134   -0.019132198431
    0.131258197471   -0.001805999797   -0.013502700711   -0.009347700033    0.004917799597
    0.026064399498    0.326282563240   -0.274880414472   -0.166021800588    0.087797392800
    0.000493499990    0.533452739900   -0.559406129452   -0.358842201271    0.191543784292
    0.000115099998    0.250753371750   -0.205145610801   -0.133847400474    0.075869793778
   -0.000092499998   -0.001795899798    0.653549334408    0.716111002536   -0.456071262599
    0.000007700000    0.015056898304    0.614471532351    0.882647203125   -0.579019052517
    0.000005400000   -0.008798299009    0.144926407630   -0.306664101086    0.277401877251
   -0.000000700000    0.005338199399   -0.005500700290   -0.984622303486    1.337841890289
    0.000002500000   -0.002750399690    0.005070900267   -0.290670101029    0.175047085645
   -0.000002000000    0.001188899866   -0.002202600116   -0.014125700050   -1.238962198398
    0.000000700000   -0.000551099938    0.000907600048    0.000957900003   -0.376491869125
   -0.000000300000    0.000251799972   -0.000415400022   -0.000550200002    0.022320998170
    0.000000100000   -0.000073599992    0.000125600007    0.000214100001   -0.007734199366
    0.000000000000    0.000018899998   -0.000031700002   -0.000049500000    0.001764199855
    0.000000000000   -0.000007199999    0.000012100001    0.000019200000   -0.000665999945
   26    4
    1499.864540     383.376820      97.513682      20.524038
 498021350.000000000
  70064692.000000000
  14129150.000000000
   3488967.600000000
    998442.510000000
    320583.320000000
    112744.500000000
     42932.942000000
     17533.621000000
      7594.643000000
      3461.177000000
      1652.893700000
       823.661610000
       426.259300000
       227.278650000
       123.551570000
        68.687559000
        38.408307000
        21.107741000
        11.795068000
         6.450913800
         3.490404600
         1.819260900
         0.825821360
         0.378672810
         0.154824240
    0.000008000000   -0.000004300000   -0.000002300000   -0.000001100000
    0.000025400001   -0.000013500000   -0.000007100000   -0.000003500000
    0.000069400004   -0.000037000000   -0.000019499999   -0.000009600000
    0.000173100010   -0.000092400000   -0.000048799998   -0.000023899999
    0.000408000024   -0.000218200000   -0.000115199995   -0.000056599998
    0.000938500055   -0.000503300000   -0.000265999989   -0.000130599996
    0.002150800127   -0.001158500000   -0.000612999975   -0.000300999990
    0.004939800291   -0.002675899999   -0.001417899941   -0.000696399978
    0.011469200675   -0.006265499998   -0.003326899862   -0.001635199948
    0.026850101581   -0.014845499996   -0.007907199672   -0.003888799877
    0.061754203636   -0.034806299991   -0.018628799228   -0.009175799710
    0.131724407756   -0.076379499979   -0.041191598294   -0.020324899357
    0.239069214076   -0.144058099961   -0.078489096749   -0.038850098770
    0.326432419220   -0.201420399946   -0.110510595422   -0.054762998267
    0.279124016435   -0.123876999967   -0.057168097632   -0.026834099151
    0.115628206808    0.188235499949    0.167104193078    0.093055397055
    0.014600600860    0.494241999867    0.442325381676    0.249088392116
    0.000953000056    0.368656099901    0.242790089942    0.117027196296
   -0.000476300028    0.088835099976   -0.414260882839   -0.348073488983
    0.000196800012    0.002855999999   -0.625951474069   -0.601641080957
   -0.000139700008    0.000945800000   -0.211625691233    0.087204897240
    0.000086100005   -0.000556300000   -0.012869099467    0.727805676964
   -0.000033600002    0.000149900000   -0.001491799938    0.407293387109
    0.000014100001   -0.000066700000    0.000410099983    0.043332598628
   -0.000005600000    0.000026500000   -0.000131799995   -0.001085099966
    0.000001400000   -0.000006700000    0.000029999999    0.000270699991
   18    2
     305.315040      67.585792
     43051.866000000
     10766.689000000
      3659.711100000
      1466.732500000
       654.241460000
       315.544990000
       162.829890000
        88.976912000
        51.136259000
        30.202949000
        17.197860000
         9.540076400
         5.062063600
         2.603979100
         1.258245300
         0.512405830
         0.196390930
         0.066365289
    0.000100200005    0.000057100005
    0.000630500032    0.000360300029
    0.003238600167    0.001860700152
    0.014086600725    0.008146200664
    0.050307702588    0.029467702400
    0.138267407113    0.082428206714
    0.266841713727    0.159527412994
    0.340563417520    0.189880115467
    0.259882413369    0.065127605305
    0.117940606067   -0.202589016502
    0.024623201267   -0.454523037023
    0.000556600029   -0.370191730154
    0.000331700017   -0.101039408230
   -0.000177700009   -0.004529400369
    0.000047500002   -0.000579900047
   -0.000022300001    0.000189600015
    0.000006600000   -0.000064000005
   -0.000002600000    0.000020600002
   13    1
      37.294910
      2117.822700000
       713.441830000
       304.398010000
       146.830600000
        75.193249000
        39.851864000
        21.221476000
        11.236685000
         5.797929500
         2.825093200
         1.314470500
         0.571175330
         0.218837970
   -0.000240300016
   -0.002134800142
   -0.011932700793
   -0.045675303036
   -0.127371208466
   -0.256185717028
   -0.356554823699
   -0.315674120982
   -0.142725209486
   -0.021880201454
   -0.000276300018
   -0.000128000009
    0.000030700002
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Cm.AE.Paulovic.35s26p18d13f.7s5p4d2f.96e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32883756D+13 0.30900022D+12 0.48248284D+11 0.99363406D+10 0.24755508D+10 0.72042800D+09
 0.24112093D+09 0.86600941D+08 0.30893502D+08 0.10774206D+08 0.37314394D+07 0.13136937D+07
 0.47987108D+06 0.18448744D+06 0.75267719D+05 0.32749037D+05 0.15119203D+05 0.72609538D+04
 0.35785959D+04 0.18029090D+04 0.92297027D+03 0.47283284D+03 0.24240619D+03 0.12138358D+03
 0.70366173D+02 0.39279946D+02 0.21294595D+02 0.12029613D+02 0.66717852D+01 0.33198066D+01
 0.15365784D+01 0.76044484D+00 0.32154622D+00 0.78529814D-01 0.30609801D-01
 0.0000026 -0.0000012  0.0000006  0.0000003 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000103 -0.0000045  0.0000022  0.0000011 -0.0000006  0.0000003 -0.0000001 0.0 0.0 0.0 0.0
 0.0000292 -0.0000126  0.0000062  0.0000032 -0.0000016  0.0000007 -0.0000002 0.0 0.0 0.0 0.0
 0.0000708 -0.0000304  0.0000149  0.0000078 -0.0000040  0.0000018 -0.0000005 0.0 0.0 0.0 0.0
 0.0001530 -0.0000655  0.0000322  0.0000169 -0.0000085  0.0000038 -0.0000011 0.0 0.0 0.0 0.0
 0.0002957 -0.0001264  0.0000620  0.0000325 -0.0000165  0.0000073 -0.0000021 0.0 0.0 0.0 0.0
 0.0005286 -0.0002255  0.0001107  0.0000580 -0.0000294  0.0000131 -0.0000037 0.0 0.0 0.0 0.0
 0.0009781 -0.0004168  0.0002046  0.0001072 -0.0000542  0.0000242 -0.0000069 0.0 0.0 0.0 0.0
 0.0018937 -0.0008064  0.0003958  0.0002073 -0.0001050  0.0000468 -0.0000133 0.0 0.0 0.0 0.0
 0.0036811 -0.0015677  0.0007694  0.0004031 -0.0002040  0.0000910 -0.0000258 0.0 0.0 0.0 0.0
 0.0070238 -0.0029959  0.0014709  0.0007706 -0.0003901  0.0001740 -0.0000493 0.0 0.0 0.0 0.0
 0.0129737 -0.0055550  0.0027292  0.0014300 -0.0007240  0.0003229 -0.0000915 0.0 0.0 0.0 0.0
 0.0230460 -0.0099404  0.0048903  0.0025633 -0.0012979  0.0005789 -0.0001640 0.0 0.0 0.0 0.0
 0.0392740 -0.0171527  0.0084568  0.0044350 -0.0022458  0.0010018 -0.0002839 0.0 0.0 0.0 0.0
 0.0640027 -0.0285120  0.0141088  0.0074065 -0.0037522  0.0016738 -0.0004742 0.0 0.0 0.0 0.0
 0.0991471 -0.0455108  0.0226387  0.0118987 -0.0060281  0.0026894 -0.0007622 0.0 0.0 0.0 0.0
 0.1472143 -0.0706296  0.0354336  0.0186693 -0.0094704  0.0042254 -0.0011971 0.0 0.0 0.0 0.0
 0.2074844 -0.1061644  0.0538906  0.0284664 -0.0144343  0.0064424 -0.0018263 0.0 0.0 0.0 0.0
 0.2557536 -0.1425544  0.0736708  0.0391328 -0.0199153  0.0088898 -0.0025185 0.0 0.0 0.0 0.0
 0.2389501 -0.1379343  0.0713383  0.0378039 -0.0191323  0.0085430 -0.0024221 0.0 0.0 0.0 0.0
 0.1312582 -0.0018061 -0.0135028 -0.0093478  0.0049178 -0.0022374  0.0006360 0.0 0.0 0.0 0.0
 0.0260644  0.3262826 -0.2748802 -0.1660220  0.0877982 -0.0395428  0.0112264 0.0 0.0 0.0 0.0
 0.0004935  0.5334523 -0.5594060 -0.3588430  0.1915453 -0.0867017  0.0246096 0.0 0.0 0.0 0.0
 0.0001152  0.2507535 -0.2051456 -0.1338474  0.0758707 -0.0344995  0.0098670 0.0 0.0 0.0 0.0
-0.0000926 -0.0017961  0.6535483  0.7161121 -0.4560755  0.2147089 -0.0615238 0.0 0.0 0.0 0.0
 0.0000078  0.0150575  0.6144698  0.8826465 -0.5790224  0.2779230 -0.0793813 0.0 0.0 0.0 0.0
 0.0000053 -0.0087984  0.1449273 -0.3066639  0.2774006 -0.1425231  0.0407315 0.0 0.0 0.0 0.0
-0.0000007  0.0053386 -0.0055000 -0.9846200  1.3378563 -0.7804547  0.2318530 0.0 0.0 0.0 0.0
 0.0000025 -0.0027505  0.0050720 -0.2906674  0.1750443 -0.0601537  0.0149665 0.0 0.0 0.0 0.0
-0.0000020  0.0011891 -0.0022027 -0.0141279 -1.2389708  1.1885437 -0.3814724 0.0 0.0 0.0 0.0
 0.0000007 -0.0005510  0.0009082  0.0009568 -0.3764868  0.4248493 -0.1533403 0.0 0.0 0.0 0.0
-0.0000003  0.0002519 -0.0004154 -0.0005528  0.0223189 -1.0477158  0.4726207 1.0 0.0 0.0 0.0
 0.0000001 -0.0000735  0.0001264  0.0002126 -0.0077259 -0.5282448  0.3987250 0.0 1.0 0.0 0.0
 0.0000000  0.0000189 -0.0000317 -0.0000491  0.0017648 -0.0043406 -0.6434796 0.0 0.0 1.0 0.0
 0.0000000 -0.0000071  0.0000117  0.0000202 -0.0006746 -0.0006992 -0.5927337 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.49802135D+09 0.70064692D+08 0.14129150D+08 0.34889676D+07 0.99844251D+06 0.32058332D+06
 0.11274450D+06 0.42932942D+05 0.17533621D+05 0.75946430D+04 0.34611770D+04 0.16528937D+04
 0.82366161D+03 0.42625930D+03 0.22727865D+03 0.12355157D+03 0.68687559D+02 0.38408307D+02
 0.21107741D+02 0.11795068D+02 0.64509138D+01 0.34904046D+01 0.18192609D+01 0.82582136D+00
 0.37867281D+00 0.15482424D+00
 0.0000080 -0.0000043 -0.0000023 -0.0000011  0.0000004 0.0 0.0 0.0 0.0
 0.0000254 -0.0000135 -0.0000071 -0.0000035  0.0000014 0.0 0.0 0.0 0.0
 0.0000694 -0.0000370 -0.0000195 -0.0000096  0.0000038 0.0 0.0 0.0 0.0
 0.0001731 -0.0000924 -0.0000488 -0.0000239  0.0000095 0.0 0.0 0.0 0.0
 0.0004080 -0.0002182 -0.0001152 -0.0000566  0.0000224 0.0 0.0 0.0 0.0
 0.0009385 -0.0005033 -0.0002660 -0.0001306  0.0000517 0.0 0.0 0.0 0.0
 0.0021508 -0.0011585 -0.0006130 -0.0003010  0.0001191 0.0 0.0 0.0 0.0
 0.0049398 -0.0026759 -0.0014179 -0.0006964  0.0002755 0.0 0.0 0.0 0.0
 0.0114692 -0.0062655 -0.0033269 -0.0016352  0.0006476 0.0 0.0 0.0 0.0
 0.0268501 -0.0148455 -0.0079072 -0.0038888  0.0015387 0.0 0.0 0.0 0.0
 0.0617542 -0.0348063 -0.0186288 -0.0091758  0.0036371 0.0 0.0 0.0 0.0
 0.1317244 -0.0763795 -0.0411916 -0.0203249  0.0080441 0.0 0.0 0.0 0.0
 0.2390692 -0.1440581 -0.0784891 -0.0388501  0.0154289 0.0 0.0 0.0 0.0
 0.3264325 -0.2014204 -0.1105106 -0.0547630  0.0216525 0.0 0.0 0.0 0.0
 0.2791240 -0.1238770 -0.0571681 -0.0268341  0.0106685 0.0 0.0 0.0 0.0
 0.1156282  0.1882355  0.1671042  0.0930554 -0.0382594 0.0 0.0 0.0 0.0
 0.0146006  0.4942420  0.4423255  0.2490884 -0.1008206 0.0 0.0 0.0 0.0
 0.0009530  0.3686561  0.2427901  0.1170272 -0.0475805 0.0 0.0 0.0 0.0
-0.0004763  0.0888351 -0.4142608 -0.3480735  0.1582362 0.0 0.0 0.0 0.0
 0.0001968  0.0028560 -0.6259515 -0.6016411  0.2724101 0.0 0.0 0.0 0.0
-0.0001397  0.0009458 -0.2116257  0.0872049 -0.0764932 0.0 0.0 0.0 0.0
 0.0000861 -0.0005563 -0.0128691  0.7278058 -0.4965655 0.0 0.0 0.0 0.0
-0.0000336  0.0001499 -0.0014918  0.4072933 -0.2223441 1.0 0.0 0.0 0.0
 0.0000141 -0.0000667  0.0004102  0.0433326  0.4977909 0.0 1.0 0.0 0.0
-0.0000056  0.0000265 -0.0001318 -0.0010851  0.6027914 0.0 0.0 1.0 0.0
 0.0000014 -0.0000067  0.0000300  0.0002707  0.1493245 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.43051866D+05 0.10766689D+05 0.36597111D+04 0.14667325D+04 0.65424146D+03 0.31554499D+03
 0.16282989D+03 0.88976912D+02 0.51136259D+02 0.30202949D+02 0.17197860D+02 0.95400764D+01
 0.50620636D+01 0.26039791D+01 0.12582453D+01 0.51240583D+00 0.19639093D+00 0.66365289D-01
 0.0001002  0.0000571  0.0000261 -0.0000067 0.0 0.0 0.0 0.0
 0.0006305  0.0003603  0.0001646 -0.0000422 0.0 0.0 0.0 0.0
 0.0032386  0.0018607  0.0008503 -0.0002170 0.0 0.0 0.0 0.0
 0.0140866  0.0081462  0.0037327 -0.0009565 0.0 0.0 0.0 0.0
 0.0503077  0.0294677  0.0135277 -0.0034543 0.0 0.0 0.0 0.0
 0.1382674  0.0824282  0.0380536 -0.0097692 0.0 0.0 0.0 0.0
 0.2668417  0.1595274  0.0735397 -0.0187519 0.0 0.0 0.0 0.0
 0.3405634  0.1898801  0.0862594 -0.0222446 0.0 0.0 0.0 0.0
 0.2598823  0.0651276  0.0150534 -0.0026961 0.0 0.0 0.0 0.0
 0.1179406 -0.2025890 -0.1313928  0.0344102 0.0 0.0 0.0 0.0
 0.0246232 -0.4545230 -0.2872506  0.0786950 0.0 0.0 0.0 0.0
 0.0005566 -0.3701917 -0.1530527  0.0336825 0.0 0.0 0.0 0.0
 0.0003317 -0.1010394  0.3347140 -0.1090992 0.0 0.0 0.0 0.0
-0.0001777 -0.0045294  0.5533594 -0.1933124 0.0 0.0 0.0 0.0
 0.0000475 -0.0005799  0.2763367  0.0053918 1.0 0.0 0.0 0.0
-0.0000223  0.0001896  0.0326455  0.3526719 0.0 1.0 0.0 0.0
 0.0000066 -0.0000640 -0.0012990  0.5205962 0.0 0.0 1.0 0.0
-0.0000026  0.0000206  0.0003367  0.3284256 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21178227D+04 0.71344183D+03 0.30439801D+03 0.14683060D+03 0.75193249D+02 0.39851864D+02
 0.21221476D+02 0.11236685D+02 0.57979295D+01 0.28250932D+01 0.13144705D+01 0.57117533D+00
 0.21883797D+00
-0.0002403 -0.0000838 0.0 0.0 0.0
-0.0021348 -0.0007439 0.0 0.0 0.0
-0.0119327 -0.0041803 0.0 0.0 0.0
-0.0456753 -0.0160085 0.0 0.0 0.0
-0.1273712 -0.0449348 0.0 0.0 0.0
-0.2561857 -0.0882982 0.0 0.0 0.0
-0.3565548 -0.1121912 0.0 0.0 0.0
-0.3156741 -0.0542874 0.0 0.0 0.0
-0.1427252  0.1495794 0.0 0.0 0.0
-0.0218802  0.3699621 0.0 0.0 0.0
-0.0002763  0.4061310 1.0 0.0 0.0
-0.0001280  0.2676455 0.0 1.0 0.0
 0.0000307  0.0904282 0.0 0.0 1.0
*
End

*
/Bk.ECP.Paulovic.14s10p12d9f.2s1p2d1f.29e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on BkQR(8H)
*
 29.000000         3

* S-type functions
   14    6
  10317938.619999999
    980378.571000000
    141723.406200000
     24190.733480000
      4494.868633000
       316.041602500
        53.201323770
        12.880996680
         3.588458774
         2.672254210
         0.679737697
         0.312525067
         0.079515738
         0.030494539
      0.000229149780     -0.000064768700 0.0 0.0 0.0 0.0
      0.000807722140     -0.000228306000 0.0 0.0 0.0 0.0
      0.002387885900     -0.000674923420 0.0 0.0 0.0 0.0
      0.007303274300     -0.002064484000 0.0 0.0 0.0 0.0
      0.018433146000     -0.005210033500 0.0 0.0 0.0 0.0
     -0.117556060000      0.033292188000 0.0 0.0 0.0 0.0
      0.389202440000     -0.111187190000 0.0 0.0 0.0 0.0
     -0.876497810000      0.257943490000 0.0 0.0 0.0 0.0
      0.703690780000     -0.231521040000 0.0 0.0 0.0 0.0
      0.679579230000     -0.219005350000 0.0 0.0 0.0 0.0
     -0.982760200000      0.471869310000 1.0 0.0 0.0 0.0
     -0.405507590000      0.325762000000 0.0 1.0 0.0 0.0
     -0.007682091500     -0.679489660000 0.0 0.0 1.0 0.0
      0.000980488450     -0.557528980000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10960.611250000
      2081.340572000
       570.394803000
        75.998723850
        15.043965230
         4.033309600
         2.670833578
         0.706396486
         0.322322404
         0.126986762
      0.002412841700 0.0 0.0 0.0 0.0
      0.012361473000 0.0 0.0 0.0 0.0
      0.035030933000 0.0 0.0 0.0 0.0
     -0.138856980000 0.0 0.0 0.0 0.0
      0.349318870000 0.0 0.0 0.0 0.0
     -0.344659790000 0.0 0.0 0.0 0.0
     -0.334483690000 1.0 0.0 0.0 0.0
      0.602752820000 0.0 1.0 0.0 0.0
      0.497717530000 0.0 0.0 1.0 0.0
      0.081990929000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1185.666258000
       332.015283000
       119.420559600
        21.925442340
        10.757652340
         5.146723670
         2.632862814
         1.304434752
         0.577501376
         0.233190158
         0.090307061
         0.034881084
      0.010000787000     -0.002391016800 0.0 0.0 0.0 0.0
      0.059099982000     -0.014266013000 0.0 0.0 0.0 0.0
      0.138966790000     -0.033028704000 0.0 0.0 0.0 0.0
     -0.330975760000      0.085309618000 0.0 0.0 0.0 0.0
     -0.219997250000      0.049446314000 0.0 0.0 0.0 0.0
      0.360940520000     -0.114067070000 0.0 0.0 0.0 0.0
      0.541721410000     -0.170993740000 0.0 0.0 0.0 0.0
      0.258026340000     -0.004291750400 0.0 0.0 0.0 0.0
      0.035789901000      0.285825010000 1.0 0.0 0.0 0.0
     -0.000401544700      0.465132240000 0.0 1.0 0.0 0.0
      0.000417547170      0.369103180000 0.0 0.0 1.0 0.0
     -0.000189768250      0.115853220000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       350.895232700
       117.618766800
        47.699404760
        20.670308600
         4.470895917
         2.135466254
         1.004166719
         0.452433001
         0.182431016
     -0.005490862000 0.0 0.0 0.0
     -0.035907849000 0.0 0.0 0.0
     -0.108954090000 0.0 0.0 0.0
     -0.148329890000 0.0 0.0 0.0
      0.273192670000 0.0 0.0 0.0
      0.405305920000 0.0 0.0 0.0
      0.338387520000 1.0 0.0 0.0
      0.185664340000 0.0 1.0 0.0
      0.053096670000 0.0 0.0 1.0

*
* Core AIMP:Bk DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    688156.390000000
    172407.420000000
     60015.671800000
     22567.597100000
      8907.680090000
      3559.756060000
      1493.269840000
       704.184642000
       135.382996000
       262.434597000
        27.940306600
         6.222723050
        15.052313700
         3.325391540
      0.031117776238
      0.023358916659
      0.034941514812
      0.049275453325
      0.063247940572
      0.084217609810
      0.145470332258
      0.173257782301
      0.453047886045
      0.148759677531
      0.654562089020
      0.247635632841
      0.192634937436
      0.043300037360
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
    9757.017200    1875.510260     488.406200     132.039766      31.397222
 3289202700000.000000000
  308999640000.000000000
   48207415000.000000000
    9936340600.000000000
    2463913700.000000000
     718162640.000000000
     241120930.000000000
      86786178.000000000
      30999086.000000000
      10788793.000000000
       3731439.400000000
       1313180.600000000
        479496.330000000
        184415.390000000
         75241.162000000
         32745.814000000
         15119.203000000
          7260.619300000
          3577.895200000
          1802.886500000
           922.834380000
           472.244380000
           243.036730000
           121.368650000
            70.362717000
            39.241971000
            21.307633000
            12.029259000
             6.453465400
             3.302531500
             1.320808300
             0.761371580
             0.320535130
             0.080533533
             0.030587145
    0.000002900000   -0.000001300000    0.000000600000    0.000000300000   -0.000000200000
    0.000011299999   -0.000004900000    0.000002400000    0.000001300000   -0.000000600000
    0.000031799998   -0.000013799999    0.000006800000    0.000003600000   -0.000001800000
    0.000076799996   -0.000033199998    0.000016300000    0.000008600000   -0.000004400000
    0.000165699991   -0.000071399995    0.000035100000    0.000018399999   -0.000009400000
    0.000316899983   -0.000136199991    0.000067000000    0.000035199999   -0.000017900000
    0.000563999971   -0.000242099984    0.000119000000    0.000062499998   -0.000031800000
    0.001037899946   -0.000444999970    0.000218600000    0.000114799996   -0.000058400000
    0.002006999895   -0.000859799943    0.000422399999    0.000221799993   -0.000112799999
    0.003897199797   -0.001669699889    0.000820399998    0.000430699985   -0.000219099999
    0.007400499614   -0.003175399789    0.001560799997    0.000819399972   -0.000416899997
    0.013617799289   -0.005865799610    0.002885199995    0.001514999949   -0.000770899995
    0.024077698743   -0.010448099305    0.005146199990    0.002703199909   -0.001375599991
    0.040825297869   -0.017941398807    0.008856599983    0.004654599843   -0.002368999985
    0.066220296544   -0.029686398026    0.014708499973    0.007738099739   -0.003939299975
    0.101951494679   -0.047117396867    0.023470699956    0.012362599582   -0.006296399960
    0.150431592148   -0.072653195169    0.036499299932    0.019274199349   -0.009821699937
    0.210221489027   -0.108348892795    0.055086999897    0.029160699015   -0.014873699904
    0.256001886638   -0.143193590478    0.074061999862    0.039430698668   -0.020136499871
    0.234753887747   -0.134148591080    0.069131299871    0.036638498762   -0.018699099880
    0.125400593455    0.012003899202   -0.023142299957   -0.014871899498    0.007994999949
    0.023548798771    0.341605077284   -0.290644899458   -0.176525594036    0.093529399399
    0.000446599977    0.526425064994   -0.557194998960   -0.359135187866    0.193769298756
    0.000025799999    0.237244584224   -0.167251499688   -0.104379996473    0.056941399634
   -0.000009699999   -0.006086199595    0.681413398728    0.762136374250   -0.484986496885
   -0.000049499997    0.015347398979    0.587336698904    0.844549871465   -0.567746596354
    0.000045699998   -0.008998799402    0.127355899762   -0.380541387143    0.367233697642
   -0.000026299999    0.005237399652   -0.004724399991   -0.982800166794    1.350129291329
    0.000015199999   -0.002624799825    0.004103599992   -0.249320591576    0.061837799603
   -0.000007400000    0.001134499925   -0.001844799997   -0.003487499882   -1.294168891688
    0.000003600000   -0.000571499962    0.000819199998   -0.001853699937   -0.329882797881
   -0.000002200000    0.000344699977   -0.000493699999    0.000933099968    0.077081399505
    0.000000600000   -0.000085699994    0.000126800000   -0.000166399994   -0.016098399897
   -0.000000100000    0.000020999999   -0.000030500000    0.000044199999    0.003552099977
    0.000000000000   -0.000007599999    0.000011100000   -0.000015799999   -0.001276699992
   26    4
    1538.972160     394.928980     101.057880      21.368124
 497669330.000000000
  69915323.000000000
  14087366.000000000
   3477698.000000000
    995698.960000000
    319983.830000000
    112635.400000000
     42923.413000000
     17537.005000000
      7596.025200000
      3461.186000000
      1652.686400000
       823.533960000
       426.242860000
       227.262150000
       123.468450000
        68.720218000
        38.429821000
        21.104062000
        11.817515000
         6.453288900
         3.494809300
         1.822684600
         0.827542570
         0.378528220
         0.154361630
    0.000008600000   -0.000004600000   -0.000002400000   -0.000001200000
    0.000027100001   -0.000014400000   -0.000007600000   -0.000003800000
    0.000073700002   -0.000039400001   -0.000020800001   -0.000010300001
    0.000183500004   -0.000098100003   -0.000051900003   -0.000025600001
    0.000431300010   -0.000231100007   -0.000122400006   -0.000060400003
    0.000989500023   -0.000531800015   -0.000281900014   -0.000139100007
    0.002261200053   -0.001220600034   -0.000647700032   -0.000319900016
    0.005178000120   -0.002811400079   -0.001494100075   -0.000737900038
    0.011987100278   -0.006564500185   -0.003496100175   -0.001728200088
    0.027973000650   -0.015507900437   -0.008285300414   -0.004097500209
    0.064054501488   -0.036209901020   -0.019442100973   -0.009632500490
    0.135732203153   -0.078958302224   -0.042720102137   -0.021196401079
    0.243943805666   -0.147457604154   -0.080613604032   -0.040144702044
    0.327903107616   -0.202202705696   -0.111145005560   -0.055343502817
    0.273738906358   -0.114946703238   -0.051127402557   -0.023844601214
    0.109106902534    0.206303905812    0.182243209116    0.102268805206
    0.012741300296    0.498626514047    0.448990622459    0.254193412940
    0.000934400022    0.354705909993    0.217519610881    0.101577905171
   -0.000510900012    0.080537102269   -0.444905422255   -0.379159319302
    0.000221300005    0.002166300061   -0.613320930679   -0.594872630283
   -0.000149100003    0.000834400024   -0.192779809643    0.144457307354
    0.000091300002   -0.000512600014   -0.009950800498    0.733565637344
   -0.000036200001    0.000135300004   -0.001520900076    0.374490619064
    0.000014900000   -0.000059400002    0.000434800022    0.036774701872
   -0.000005900000    0.000023500001   -0.000143600007   -0.000832600042
    0.000001500000   -0.000005900000    0.000032500002    0.000196500010
   18    2
     314.465100      70.207708
     45059.762000000
     11182.070000000
      3725.884200000
      1473.594200000
       653.587760000
       315.012550000
       162.404700000
        88.906637000
        51.477445000
        30.567672000
        17.372994000
         9.648817500
         5.123893800
         2.632370000
         1.266237200
         0.496507080
         0.182440670
         0.060430199
    0.000099100000    0.000056799997
    0.000636400001    0.000365199980
    0.003366400006    0.001943699895
    0.014828800028    0.008613599534
    0.052734500101    0.031059898320
    0.143563200275    0.085983695348
    0.273671300524    0.164328391110
    0.339027600649    0.187846089838
    0.251249000481    0.056899896922
    0.114360100219   -0.212292288516
    0.023002800044   -0.460595275083
    0.000512500001   -0.359709380541
    0.000253300000   -0.094273294900
   -0.000146900000   -0.003715699799
    0.000030400000   -0.000608599967
   -0.000015900000    0.000181099990
    0.000004400000   -0.000061699997
   -0.000001800000    0.000021499999
   13    1
      39.220066
      2112.069400000
       713.212280000
       304.066890000
       146.846180000
        75.210755000
        39.847433000
        21.238294000
        11.247084000
         5.789726400
         2.824206400
         1.313858400
         0.571469320
         0.220457940
   -0.000259000010
   -0.002293000085
   -0.012752300470
   -0.048202901778
   -0.133454204922
   -0.263668109724
   -0.359529413259
   -0.308841711390
   -0.131499504850
   -0.018116400668
   -0.000408900015
   -0.000106000004
   -0.000009200000
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Bk.AE.Paulovic.35s26p18d13f.7s5p4d2f.97e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32892027D+13 0.30899964D+12 0.48207415D+11 0.99363406D+10 0.24639137D+10 0.71816264D+09
 0.24112093D+09 0.86786178D+08 0.30999086D+08 0.10788793D+08 0.37314394D+07 0.13131806D+07
 0.47949633D+06 0.18441539D+06 0.75241162D+05 0.32745814D+05 0.15119203D+05 0.72606193D+04
 0.35778952D+04 0.18028865D+04 0.92283438D+03 0.47224438D+03 0.24303673D+03 0.12136865D+03
 0.70362717D+02 0.39241971D+02 0.21307633D+02 0.12029259D+02 0.64534654D+01 0.33025315D+01
 0.13208083D+01 0.76137158D+00 0.32053513D+00 0.80533533D-01 0.30587145D-01
 0.0000029 -0.0000013  0.0000006  0.0000003 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000113 -0.0000049  0.0000024  0.0000013 -0.0000006  0.0000003  0.0000001 0.0 0.0 0.0 0.0
 0.0000318 -0.0000138  0.0000068  0.0000036 -0.0000018  0.0000008  0.0000002 0.0 0.0 0.0 0.0
 0.0000768 -0.0000332  0.0000163  0.0000086 -0.0000044  0.0000020  0.0000006 0.0 0.0 0.0 0.0
 0.0001657 -0.0000714  0.0000351  0.0000184 -0.0000094  0.0000042  0.0000012 0.0 0.0 0.0 0.0
 0.0003169 -0.0001362  0.0000670  0.0000352 -0.0000179  0.0000080  0.0000023 0.0 0.0 0.0 0.0
 0.0005640 -0.0002421  0.0001190  0.0000625 -0.0000318  0.0000142  0.0000040 0.0 0.0 0.0 0.0
 0.0010379 -0.0004450  0.0002186  0.0001148 -0.0000584  0.0000261  0.0000074 0.0 0.0 0.0 0.0
 0.0020070 -0.0008598  0.0004224  0.0002218 -0.0001128  0.0000504  0.0000142 0.0 0.0 0.0 0.0
 0.0038972 -0.0016697  0.0008204  0.0004307 -0.0002191  0.0000980  0.0000277 0.0 0.0 0.0 0.0
 0.0074005 -0.0031754  0.0015608  0.0008194 -0.0004169  0.0001864  0.0000526 0.0 0.0 0.0 0.0
 0.0136178 -0.0058658  0.0028852  0.0015150 -0.0007709  0.0003447  0.0000974 0.0 0.0 0.0 0.0
 0.0240777 -0.0104481  0.0051462  0.0027032 -0.0013756  0.0006151  0.0001737 0.0 0.0 0.0 0.0
 0.0408253 -0.0179414  0.0088566  0.0046546 -0.0023690  0.0010594  0.0002992 0.0 0.0 0.0 0.0
 0.0662203 -0.0296864  0.0147085  0.0077381 -0.0039393  0.0017615  0.0004975 0.0 0.0 0.0 0.0
 0.1019515 -0.0471174  0.0234706  0.0123627 -0.0062964  0.0028165  0.0007956 0.0 0.0 0.0 0.0
 0.1504316 -0.0726532  0.0364993  0.0192742 -0.0098217  0.0043919  0.0012403 0.0 0.0 0.0 0.0
 0.2102215 -0.1083490  0.0550870  0.0291608 -0.0148737  0.0066579  0.0018809 0.0 0.0 0.0 0.0
 0.2560019 -0.1431937  0.0740619  0.0394308 -0.0201365  0.0090042  0.0025431 0.0 0.0 0.0 0.0
 0.2347539 -0.1341486  0.0691313  0.0366386 -0.0186991  0.0083846  0.0023683 0.0 0.0 0.0 0.0
 0.1254005  0.0120038 -0.0231422 -0.0148719  0.0079950 -0.0036612 -0.0010337 0.0 0.0 0.0 0.0
 0.0235488  0.3416052 -0.2906445 -0.1765260  0.0935295 -0.0421738 -0.0119404 0.0 0.0 0.0 0.0
 0.0004466  0.5264250 -0.5571945 -0.3591360  0.1937692 -0.0881203 -0.0249192 0.0 0.0 0.0 0.0
 0.0000260  0.2372445 -0.1672520 -0.1043797  0.0569414 -0.0254332 -0.0073002 0.0 0.0 0.0 0.0
-0.0000098 -0.0060862  0.6814121  0.7621378 -0.4849863  0.2284056  0.0653232 0.0 0.0 0.0 0.0
-0.0000494  0.0153475  0.5873360  0.8445505 -0.5677465  0.2755552  0.0783343 0.0 0.0 0.0 0.0
 0.0000457 -0.0089988  0.1273574 -0.3805434  0.3672340 -0.1937479 -0.0552158 0.0 0.0 0.0 0.0
-0.0000263  0.0052375 -0.0047241 -0.9827974  1.3501275 -0.7934063 -0.2356480 0.0 0.0 0.0 0.0
 0.0000152 -0.0026247  0.0041045 -0.2493227  0.0618422  0.0245962  0.0118063 0.0 0.0 0.0 0.0
-0.0000074  0.0011346 -0.0018458 -0.0034874 -1.2941736  1.2575331  0.4028472 0.0 0.0 0.0 0.0
 0.0000036 -0.0005715  0.0008197 -0.0018525 -0.3298827  0.3401558  0.1296010 0.0 0.0 0.0 0.0
-0.0000021  0.0003447 -0.0004941  0.0009333  0.0770749 -1.1301637 -0.5172114 1.0 0.0 0.0 0.0
 0.0000006 -0.0000858  0.0001274 -0.0001654 -0.0160894 -0.4668665 -0.3665645 0.0 1.0 0.0 0.0
-0.0000001  0.0000209 -0.0000309  0.0000441  0.0035660 -0.0036156  0.6774062 0.0 0.0 1.0 0.0
 0.0000000 -0.0000075  0.0000111 -0.0000189 -0.0012874 -0.0005239  0.5635001 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.49766933D+09 0.69915323D+08 0.14087366D+08 0.34776980D+07 0.99569896D+06 0.31998383D+06
 0.11263540D+06 0.42923413D+05 0.17537005D+05 0.75960252D+04 0.34611860D+04 0.16526864D+04
 0.82353396D+03 0.42624286D+03 0.22726215D+03 0.12346845D+03 0.68720218D+02 0.38429821D+02
 0.21104062D+02 0.11817515D+02 0.64532889D+01 0.34948093D+01 0.18226846D+01 0.82754257D+00
 0.37852822D+00 0.15436163D+00
 0.0000086 -0.0000046 -0.0000024 -0.0000012  0.0000005 0.0 0.0 0.0 0.0
 0.0000271 -0.0000144 -0.0000076 -0.0000038  0.0000015 0.0 0.0 0.0 0.0
 0.0000737 -0.0000394 -0.0000208 -0.0000103  0.0000041 0.0 0.0 0.0 0.0
 0.0001835 -0.0000981 -0.0000519 -0.0000256  0.0000101 0.0 0.0 0.0 0.0
 0.0004313 -0.0002311 -0.0001224 -0.0000604  0.0000239 0.0 0.0 0.0 0.0
 0.0009895 -0.0005318 -0.0002819 -0.0001391  0.0000550 0.0 0.0 0.0 0.0
 0.0022612 -0.0012206 -0.0006477 -0.0003199  0.0001266 0.0 0.0 0.0 0.0
 0.0051780 -0.0028114 -0.0014941 -0.0007379  0.0002919 0.0 0.0 0.0 0.0
 0.0119871 -0.0065645 -0.0034961 -0.0017282  0.0006844 0.0 0.0 0.0 0.0
 0.0279730 -0.0155079 -0.0082853 -0.0040975  0.0016209 0.0 0.0 0.0 0.0
 0.0640545 -0.0362099 -0.0194421 -0.0096325  0.0038179 0.0 0.0 0.0 0.0
 0.1357322 -0.0789583 -0.0427201 -0.0211964  0.0083871 0.0 0.0 0.0 0.0
 0.2439438 -0.1474576 -0.0806136 -0.0401447  0.0159437 0.0 0.0 0.0 0.0
 0.3279031 -0.2022027 -0.1111450 -0.0553435  0.0218690 0.0 0.0 0.0 0.0
 0.2737389 -0.1149467 -0.0511274 -0.0238446  0.0094830 0.0 0.0 0.0 0.0
 0.1091069  0.2063039  0.1822432  0.1022688 -0.0420703 0.0 0.0 0.0 0.0
 0.0127413  0.4986265  0.4489906  0.2541934 -0.1028203 0.0 0.0 0.0 0.0
 0.0009344  0.3547059  0.2175197  0.1015779 -0.0412543 0.0 0.0 0.0 0.0
-0.0005109  0.0805371 -0.4449055 -0.3791593  0.1730750 0.0 0.0 0.0 0.0
 0.0002213  0.0021663 -0.6133210 -0.5948726  0.2688761 0.0 0.0 0.0 0.0
-0.0001491  0.0008344 -0.1927797  0.1444574 -0.1090899 0.0 0.0 0.0 0.0
 0.0000913 -0.0005126 -0.0099508  0.7335656 -0.5058341 0.0 0.0 0.0 0.0
-0.0000362  0.0001353 -0.0015209  0.3744906 -0.1825441 1.0 0.0 0.0 0.0
 0.0000149 -0.0000594  0.0004348  0.0367748  0.5236271 0.0 1.0 0.0 0.0
-0.0000059  0.0000235 -0.0001436 -0.0008326  0.5827533 0.0 0.0 1.0 0.0
 0.0000015 -0.0000059  0.0000325  0.0001965  0.1348112 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.45059762D+05 0.11182070D+05 0.37258842D+04 0.14735942D+04 0.65358776D+03 0.31501255D+03
 0.16240470D+03 0.88906637D+02 0.51477445D+02 0.30567672D+02 0.17372994D+02 0.96488175D+01
 0.51238938D+01 0.26323700D+01 0.12662372D+01 0.49650708D+00 0.18244067D+00 0.60430199D-01
 0.0000991  0.0000568  0.0000261 -0.0000063 0.0 0.0 0.0 0.0
 0.0006364  0.0003652  0.0001682 -0.0000405 0.0 0.0 0.0 0.0
 0.0033664  0.0019437  0.0008955 -0.0002147 0.0 0.0 0.0 0.0
 0.0148288  0.0086136  0.0039780 -0.0009579 0.0 0.0 0.0 0.0
 0.0527345  0.0310599  0.0143779 -0.0034487 0.0 0.0 0.0 0.0
 0.1435632  0.0859837  0.0400129 -0.0096542 0.0 0.0 0.0 0.0
 0.2736713  0.1643284  0.0763744 -0.0182849 0.0 0.0 0.0 0.0
 0.3390276  0.1878460  0.0856874 -0.0207937 0.0 0.0 0.0 0.0
 0.2512490  0.0568999  0.0105711 -0.0013008 0.0 0.0 0.0 0.0
 0.1143601 -0.2122923 -0.1384995  0.0339436 0.0 0.0 0.0 0.0
 0.0230028 -0.4605953 -0.2944436  0.0761003 0.0 0.0 0.0 0.0
 0.0005125 -0.3597094 -0.1389945  0.0270327 0.0 0.0 0.0 0.0
 0.0002533 -0.0942732  0.3569149 -0.1088602 0.0 0.0 0.0 0.0
-0.0001469 -0.0037157  0.5501894 -0.1798637 0.0 0.0 0.0 0.0
 0.0000304 -0.0006086  0.2604114  0.0198459 1.0 0.0 0.0 0.0
-0.0000159  0.0001811  0.0276123  0.3589527 0.0 1.0 0.0 0.0
 0.0000044 -0.0000617 -0.0015233  0.5178268 0.0 0.0 1.0 0.0
-0.0000018  0.0000215  0.0003896  0.3295660 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21120694D+04 0.71321228D+03 0.30406689D+03 0.14684618D+03 0.75210755D+02 0.39847433D+02
 0.21238294D+02 0.11247084D+02 0.57897264D+01 0.28242064D+01 0.13138584D+01 0.57146932D+00
 0.22045794D+00
-0.0002590 -0.0000924 0.0 0.0 0.0
-0.0022930 -0.0008161 0.0 0.0 0.0
-0.0127523 -0.0045688 0.0 0.0 0.0
-0.0482029 -0.0172620 0.0 0.0 0.0
-0.1334543 -0.0481534 0.0 0.0 0.0
-0.2636681 -0.0925288 0.0 0.0 0.0
-0.3595293 -0.1146442 0.0 0.0 0.0
-0.3088418 -0.0462770 0.0 0.0 0.0
-0.1314995  0.1702874 0.0 0.0 0.0
-0.0181164  0.3814601 0.0 0.0 0.0
-0.0004089  0.3967810 1.0 0.0 0.0
-0.0001060  0.2510679 0.0 1.0 0.0
-0.0000092  0.0822322 0.0 0.0 1.0
*
End

*
/Cf.ECP.Paulovic.14s10p12d9f.2s1p2d1f.30e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on CfQR(7K)
*
 30.000000         3

* S-type functions
   14    6
  11484086.119999999
   1041421.899000000
    145302.974300000
     24190.660940000
      4537.900751000
       328.567704200
        54.803207600
        13.317271380
         4.034566229
         2.845280473
         0.719529298
         0.335101958
         0.084720583
         0.034030499
      0.000232518010     -0.000065538095 0.0 0.0 0.0 0.0
      0.000841532850     -0.000237201550 0.0 0.0 0.0 0.0
      0.002524787600     -0.000711635690 0.0 0.0 0.0 0.0
      0.007655134600     -0.002157942400 0.0 0.0 0.0 0.0
      0.018436346000     -0.005196418600 0.0 0.0 0.0 0.0
     -0.118522190000      0.033473542000 0.0 0.0 0.0 0.0
      0.394790530000     -0.112493570000 0.0 0.0 0.0 0.0
     -0.896929970000      0.263387120000 0.0 0.0 0.0 0.0
      0.534777090000     -0.174265400000 0.0 0.0 0.0 0.0
      0.870847540000     -0.282832910000 0.0 0.0 0.0 0.0
     -0.963034210000      0.458809480000 1.0 0.0 0.0 0.0
     -0.428667140000      0.336357360000 0.0 1.0 0.0 0.0
     -0.011335044000     -0.622172960000 0.0 0.0 1.0 0.0
      0.002106083500     -0.606987270000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10963.634030000
      2111.714677000
       583.884350800
        78.159445400
        15.539844480
         4.293465223
         2.942961754
         0.708443918
         0.319442944
         0.127677590
      0.002536956200 0.0 0.0 0.0 0.0
      0.012659706000 0.0 0.0 0.0 0.0
      0.035345225000 0.0 0.0 0.0 0.0
     -0.140980360000 0.0 0.0 0.0 0.0
      0.353934060000 0.0 0.0 0.0 0.0
     -0.288399130000 0.0 0.0 0.0 0.0
     -0.385480830000 1.0 0.0 0.0 0.0
      0.630242800000 0.0 1.0 0.0 0.0
      0.470008580000 0.0 0.0 1.0 0.0
      0.072989848000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1209.168933000
       338.068274500
       121.739110100
        23.075957710
        12.028200220
         5.171435787
         2.720592368
         1.350399297
         0.614505957
         0.257983782
         0.100055608
         0.036117250
      0.010258117000     -0.002258296400 0.0 0.0 0.0 0.0
      0.060447271000     -0.013425860000 0.0 0.0 0.0 0.0
      0.140316060000     -0.030711272000 0.0 0.0 0.0 0.0
     -0.312709060000      0.074681019000 0.0 0.0 0.0 0.0
     -0.223675550000      0.046071109000 0.0 0.0 0.0 0.0
      0.353710230000     -0.105157370000 0.0 0.0 0.0 0.0
      0.533996970000     -0.151884890000 0.0 0.0 0.0 0.0
      0.254187100000     -0.007797603500 0.0 0.0 0.0 0.0
      0.034968145000      0.238493090000 1.0 0.0 0.0 0.0
      0.000741797990      0.423292680000 0.0 1.0 0.0 0.0
      0.000217111870      0.417874510000 0.0 0.0 1.0 0.0
     -0.000031471906      0.171169740000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       362.558122400
       121.545089700
        49.383982850
        21.489846560
         4.671621674
         2.225722257
         1.040224594
         0.463886791
         0.186518254
     -0.005573291900 0.0 0.0 0.0
     -0.036531709000 0.0 0.0 0.0
     -0.110795690000 0.0 0.0 0.0
     -0.151276470000 0.0 0.0 0.0
      0.279563590000 0.0 0.0 0.0
      0.409742230000 0.0 0.0 0.0
      0.337022510000 1.0 0.0 0.0
      0.179159820000 0.0 1.0 0.0
      0.047372252000 0.0 0.0 1.0
*
* Core AIMP:Cf DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    810290.970000000
    227231.986000000
     86696.126900000
     35315.489300000
     15023.678700000
      6546.467310000
      2866.617100000
      1330.052070000
       669.891289000
       257.917124000
       138.508239000
        28.662893900
        15.025244500
         6.357207700
         3.378354980
      0.027483667333
      0.018283966054
      0.026525771916
      0.037247813660
      0.048706764934
      0.059956912623
      0.083956641471
      0.141596735207
      0.148360628058
      0.145607591388
      0.429334894569
      0.644236725666
      0.179586174564
      0.237403632937
      0.038378746288
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   10010.592800    1931.540440     504.082900     136.608880      32.283236
 3289202700000.000000000
  308969460000.000000000
   48169758000.000000000
    9936159100.000000000
    2463913700.000000000
     718162640.000000000
     241120930.000000000
      86786178.000000000
      30999086.000000000
      10789847.000000000
       3732897.300000000
       1313180.700000000
        479496.330000000
        184415.390000000
         75241.162000000
         32745.814000000
         15119.156000000
          7260.641500000
          3577.893900000
          1802.885200000
           922.834380000
           472.244390000
           243.036730000
           121.368650000
            70.362717000
            39.241973000
            21.307633000
            12.029259000
             6.453465400
             3.302529000
             1.320808300
             0.761371000
             0.320535130
             0.080533502
             0.030587168
    0.000003200000   -0.000001400000    0.000000700000    0.000000400000   -0.000000200000
    0.000012400000   -0.000005400000    0.000002700000    0.000001400000   -0.000000700000
    0.000034600001   -0.000015100000    0.000007400000    0.000003900000   -0.000002000000
    0.000083200003   -0.000036199999    0.000017800000    0.000009400000   -0.000004800000
    0.000178600007   -0.000077399999    0.000038099999    0.000020100000   -0.000010200000
    0.000340100013   -0.000147099997    0.000072399999    0.000038100000   -0.000019500001
    0.000603200024   -0.000260499995    0.000128199998    0.000067400000   -0.000034400001
    0.001105800044   -0.000476899991    0.000234599997    0.000123400000   -0.000063100002
    0.002130900085   -0.000918399983    0.000451699994    0.000237600000   -0.000121400003
    0.004119100163   -0.001775399967    0.000873399987    0.000459399999   -0.000234700006
    0.007793400309   -0.003364099938    0.001655499976    0.000870899999   -0.000444900012
    0.014286100567   -0.006190899886    0.003048599956    0.001603999998   -0.000819500021
    0.025139700997   -0.010975599798    0.005412399922    0.002848699996   -0.001455600038
    0.042435501683   -0.018765399655    0.009274399867    0.004884099993   -0.002496100065
    0.068477202716   -0.030896099431    0.015327499780    0.008080099988   -0.004130500108
    0.104831004157   -0.048772299102    0.024325899652    0.012839799981   -0.006566400172
    0.153626106092   -0.074708798625    0.037588399462    0.019890199971   -0.010178200267
    0.212822108440   -0.110417297968    0.056207599195    0.029817699957   -0.015271400400
    0.256004410152   -0.143743397355    0.074434498934    0.039703799942   -0.020362000533
    0.230479209140   -0.129680297614    0.066397199049    0.035193499949   -0.018020600472
    0.119532104740    0.025378799533   -0.032444599535   -0.020305799971    0.010873500285
    0.021294000844    0.357612593419   -0.307550395595   -0.187642999728    0.099951902617
    0.000407300016    0.519659990437   -0.554747792054   -0.359649799478    0.195115205109
   -0.000035700001    0.220309795946   -0.123212398235   -0.068300999901    0.036230300949
    0.000042400002   -0.007066699870    0.701504289952    0.799626398840   -0.514036013460
   -0.000082800003    0.013810999746    0.561679991955    0.807210198829   -0.546179014302
    0.000068800003   -0.008060699852    0.110755998414   -0.460666599332    0.448217511737
   -0.000041000002    0.004650499914   -0.003817299945   -0.956118598613    1.363619135707
    0.000022400001   -0.002318799957    0.003205899954   -0.216451999686   -0.083452702185
   -0.000010500000    0.001001199982   -0.001470099979   -0.002706199996   -1.260229633000
    0.000005200000   -0.000503499991    0.000637699991   -0.001408999998   -0.283943807435
   -0.000003100000    0.000303499994   -0.000383299995    0.000667799999    0.064816701697
    0.000000800000   -0.000075499999    0.000098799999   -0.000106400000   -0.013376900350
   -0.000000200000    0.000018400000   -0.000023600000    0.000028700000    0.002904100076
    0.000000100000   -0.000006700000    0.000008600000   -0.000010200000   -0.001042000027
   26    4
    1578.268040     406.224540     104.204720      21.782332
 495751680.000000000
  69639169.000000000
  14029526.000000000
   3462831.100000000
    992012.770000000
    319189.270000000
    112496.160000000
     42912.494000000
     17541.815000000
      7597.768800000
      3461.186000000
      1652.416200000
       823.380630000
       426.223710000
       227.236040000
       123.411020000
        68.744082000
        38.440343000
        21.108310000
        11.844142000
         6.468124400
         3.499290300
         1.822044300
         0.830939560
         0.376130380
         0.154352460
    0.000009100000   -0.000004900000   -0.000002600000   -0.000001300000
    0.000028799999   -0.000015400000   -0.000008200001   -0.000004000000
    0.000078399997   -0.000041899999   -0.000022300002   -0.000011000000
    0.000194599991   -0.000104299998   -0.000055400006   -0.000027400000
    0.000456199980   -0.000244899996   -0.000130100014   -0.000064500000
    0.001043099953   -0.000561799990   -0.000298600032   -0.000148000000
    0.002376499894   -0.001285599977   -0.000684200074   -0.000339200000
    0.005424899758   -0.002952199946   -0.001573300170   -0.000780200001
    0.012522199441   -0.006874199875   -0.003671800397   -0.001822500002
    0.029131598701   -0.016193299705   -0.008676800937   -0.004308300005
    0.066411997038   -0.037653499314   -0.020279802191   -0.010090300013
    0.139795993765   -0.081581698514   -0.044275704784   -0.022056000028
    0.248742088905   -0.150820097253   -0.082722108938   -0.041379000052
    0.329106185320   -0.202694496308   -0.111575112055   -0.055733900070
    0.268139288040   -0.105545698078   -0.044713804831   -0.020583000026
    0.102741295417    0.224319295914    0.197613421351    0.111569300140
    0.011137799503    0.502024390856    0.454398249095    0.258153000324
    0.000873499961    0.340486293799    0.191144320652    0.084951600107
   -0.000508499977    0.072682998676   -0.474079451221   -0.409425000514
    0.000221999990    0.001710199969   -0.598426764656   -0.583171700732
   -0.000144399994    0.000678599988   -0.175269318937    0.200358100251
    0.000088099996   -0.000439999992   -0.007934100857    0.732922700920
   -0.000035099998    0.000107799998   -0.001452800157    0.344224300432
    0.000014399999   -0.000048299999    0.000405900044    0.032426000041
   -0.000005600000    0.000018600000   -0.000137000015   -0.000296400000
    0.000001400000   -0.000004900000    0.000030600003    0.000141500000
   18    2
     323.288220      72.408358
     40561.832000000
     10077.658000000
      3459.069500000
      1410.592600000
       643.145550000
       317.264350000
       165.538760000
        89.744904000
        49.960418000
        28.286530000
        16.306974000
         9.737581900
         6.182688500
         3.825520300
         2.350730600
         1.390671500
         0.757564910
         0.327752100
    0.000123699999    0.000071200002
    0.000782799995    0.000451700010
    0.003907199975    0.002265600050
    0.016223799895    0.009479000208
    0.054543199646    0.032271300707
    0.143041299071    0.086163601888
    0.273837698221    0.164809403611
    0.353887597701    0.196520604306
    0.261410698302    0.034292900751
    0.094992299383   -0.275889606045
    0.013679899911   -0.439113709622
    0.000717599995   -0.282448406189
    0.000107299999   -0.097037702126
   -0.000103199999   -0.022703400497
    0.000013700000   -0.000217500005
   -0.000027600000   -0.000648800014
    0.000000900000    0.000129400003
   -0.000002200000   -0.000029300001
   13    1
      40.719308
      2069.963300000
       705.216110000
       304.241820000
       146.854330000
        75.147156000
        39.898308000
        21.278249000
        11.287894000
         5.831774100
         2.846038000
         1.307573500
         0.551232610
         0.202573100
   -0.000291700020
   -0.002477800167
   -0.013487500909
   -0.051119003446
   -0.139373209395
   -0.270197718215
   -0.362287824423
   -0.300144820234
   -0.121802608211
   -0.015868501070
   -0.000438600030
   -0.000156300011
   -0.000034400002
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Cf.AE.Paulovic.35s26p18d13f.7s5p4d2f.98e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32892027D+13 0.30898455D+12 0.48169758D+11 0.99439248D+10 0.24677666D+10 0.71816264D+09
 0.24112093D+09 0.86786178D+08 0.30999086D+08 0.10789715D+08 0.37321683D+07 0.13130525D+07
 0.47951075D+06 0.18442439D+06 0.75239325D+05 0.32746283D+05 0.15119202D+05 0.72605529D+04
 0.35778884D+04 0.18028852D+04 0.92283438D+03 0.47224439D+03 0.24303673D+03 0.12136865D+03
 0.70362717D+02 0.39241973D+02 0.21307633D+02 0.12029250D+02 0.64534654D+01 0.33025290D+01
 0.13208083D+01 0.76137096D+00 0.32053513D+00 0.80533489D-01 0.30587134D-01
 0.0000032 -0.0000014  0.0000007  0.0000004 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000124 -0.0000054  0.0000027  0.0000014 -0.0000007  0.0000003  0.0000001 0.0 0.0 0.0 0.0
 0.0000346 -0.0000151  0.0000074  0.0000039 -0.0000020  0.0000009  0.0000003 0.0 0.0 0.0 0.0
 0.0000831 -0.0000361  0.0000178  0.0000094 -0.0000048  0.0000021  0.0000006 0.0 0.0 0.0 0.0
 0.0001786 -0.0000774  0.0000381  0.0000201 -0.0000103  0.0000046  0.0000013 0.0 0.0 0.0 0.0
 0.0003405 -0.0001473  0.0000725  0.0000381 -0.0000195  0.0000087  0.0000025 0.0 0.0 0.0 0.0
 0.0006029 -0.0002604  0.0001281  0.0000674 -0.0000345  0.0000154  0.0000043 0.0 0.0 0.0 0.0
 0.0011060 -0.0004770  0.0002347  0.0001234 -0.0000631  0.0000283  0.0000080 0.0 0.0 0.0 0.0
 0.0021305 -0.0009182  0.0004517  0.0002376 -0.0001215  0.0000544  0.0000153 0.0 0.0 0.0 0.0
 0.0041199 -0.0017758  0.0008736  0.0004595 -0.0002349  0.0001052  0.0000297 0.0 0.0 0.0 0.0
 0.0077947 -0.0033647  0.0016557  0.0008710 -0.0004453  0.0001994  0.0000562 0.0 0.0 0.0 0.0
 0.0142847 -0.0061902  0.0030483  0.0016039 -0.0008199  0.0003673  0.0001035 0.0 0.0 0.0 0.0
 0.0251370 -0.0109744  0.0054118  0.0028485 -0.0014564  0.0006524  0.0001839 0.0 0.0 0.0 0.0
 0.0424369 -0.0187659  0.0092747  0.0048845 -0.0024977  0.0011189  0.0003153 0.0 0.0 0.0 0.0
 0.0684803 -0.0308974  0.0153281  0.0080808 -0.0041332  0.0018516  0.0005218 0.0 0.0 0.0 0.0
 0.1048235 -0.0487686  0.0243241  0.0128395 -0.0065699  0.0029439  0.0008296 0.0 0.0 0.0 0.0
 0.1536356 -0.0747129  0.0375904  0.0198922 -0.0101849  0.0045633  0.0012863 0.0 0.0 0.0 0.0
 0.2128181 -0.1104150  0.0562065  0.0298186 -0.0152803  0.0068504  0.0019301 0.0 0.0 0.0 0.0
 0.2560050 -0.1437426  0.0744338  0.0397052 -0.0203742  0.0091316  0.0025761 0.0 0.0 0.0 0.0
 0.2304765 -0.1296785  0.0663968  0.0351952 -0.0180312  0.0080884  0.0022733 0.0 0.0 0.0 0.0
 0.1195350  0.0253765 -0.0324436 -0.0203070  0.0108793 -0.0049455 -0.0013799 0.0 0.0 0.0 0.0
 0.0212919  0.3576086 -0.3075420 -0.1876454  0.1000105 -0.0452515 -0.0128155 0.0 0.0 0.0 0.0
 0.0004092  0.5196540 -0.5547433 -0.3596671  0.1952307 -0.0888742 -0.0250101 0.0 0.0 0.0 0.0
-0.0000377  0.2203220 -0.1232495 -0.0683438  0.0362881 -0.0162226 -0.0048684 0.0 0.0 0.0 0.0
 0.0000443 -0.0070682  0.7015258  0.7997142 -0.5144161  0.2438801  0.0700266 0.0 0.0 0.0 0.0
-0.0000843  0.0138127  0.5616739  0.8073432 -0.5465443  0.2653212  0.0745027 0.0 0.0 0.0 0.0
 0.0000698 -0.0080629  0.1107691 -0.4610522  0.4486899 -0.2365059 -0.0661407 0.0 0.0 0.0 0.0
-0.0000417  0.0046514 -0.0038229 -0.9558421  1.3643449 -0.8150328 -0.2440923 0.0 0.0 0.0 0.0
 0.0000228 -0.0023191  0.0032071 -0.2164977 -0.0826971  0.1413960  0.0507805 0.0 0.0 0.0 0.0
-0.0000107  0.0010015 -0.0014736 -0.0027202 -1.2636663  1.2436882  0.3947218 0.0 0.0 0.0 0.0
 0.0000053 -0.0005037  0.0006399 -0.0013899 -0.2816746  0.2294419  0.0984578 0.0 0.0 0.0 0.0
-0.0000032  0.0003036 -0.0003839  0.0006690  0.0649473 -1.1085629 -0.5291155 1.0 0.0 0.0 0.0
 0.0000008 -0.0000754  0.0000995 -0.0001058 -0.0132523 -0.4288637 -0.3341501 0.0 1.0 0.0 0.0
-0.0000002  0.0000185 -0.0000239  0.0000284  0.0028790 -0.0000102  0.7192841 0.0 0.0 1.0 0.0
 0.0000001 -0.0000068  0.0000082 -0.0000085 -0.0010230 -0.0014385  0.5193621 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.49893726D+09 0.70092142D+08 0.14130334D+08 0.34911459D+07 0.99744000D+06 0.31949996D+06
 0.11262375D+06 0.42940755D+05 0.17533379D+05 0.75962175D+04 0.34611020D+04 0.16528187D+04
 0.82355159D+03 0.42629643D+03 0.22728495D+03 0.12338511D+03 0.68757850D+02 0.38455050D+02
 0.21082918D+02 0.11816539D+02 0.64666029D+01 0.34896242D+01 0.18182042D+01 0.83414024D+00
 0.37741286D+00 0.15531248D+00
 0.0000091 -0.0000048 -0.0000026 -0.0000013  0.0000005 0.0 0.0 0.0 0.0
 0.0000287 -0.0000153 -0.0000081 -0.0000040  0.0000016 0.0 0.0 0.0 0.0
 0.0000779 -0.0000417 -0.0000221 -0.0000110  0.0000043 0.0 0.0 0.0 0.0
 0.0001934 -0.0001036 -0.0000550 -0.0000273  0.0000108 0.0 0.0 0.0 0.0
 0.0004561 -0.0002449 -0.0001301 -0.0000645  0.0000255 0.0 0.0 0.0 0.0
 0.0010443 -0.0005624 -0.0002990 -0.0001483  0.0000586 0.0 0.0 0.0 0.0
 0.0023721 -0.0012832 -0.0006829 -0.0003390  0.0001340 0.0 0.0 0.0 0.0
 0.0054306 -0.0029553 -0.0015750 -0.0007819  0.0003090 0.0 0.0 0.0 0.0
 0.0125316 -0.0068792 -0.0036746 -0.0018260  0.0007222 0.0 0.0 0.0 0.0
 0.0291268 -0.0161910 -0.0086760 -0.0043130  0.0017045 0.0 0.0 0.0 0.0
 0.0663941 -0.0376422 -0.0202746 -0.0100992  0.0039975 0.0 0.0 0.0 0.0
 0.1397272 -0.0815437 -0.0442570 -0.0220730  0.0087268 0.0 0.0 0.0 0.0
 0.2487522 -0.1508144 -0.0827217 -0.0414247  0.0164275 0.0 0.0 0.0 0.0
 0.3290516 -0.2026919 -0.1115819 -0.0558080  0.0220416 0.0 0.0 0.0 0.0
 0.2682348 -0.1055517 -0.0447137 -0.0205921  0.0081245 0.0 0.0 0.0 0.0
 0.1028176  0.2242916  0.1976212  0.1116788 -0.0457833 0.0 0.0 0.0 0.0
 0.0110670  0.5016445  0.4541148  0.2583711 -0.1046199 0.0 0.0 0.0 0.0
 0.0009137  0.3408606  0.1913970  0.0850517 -0.0338637 0.0 0.0 0.0 0.0
-0.0005331  0.0727983 -0.4765220 -0.4118567  0.1875072 0.0 0.0 0.0 0.0
 0.0002388  0.0015352 -0.5972049 -0.5837825  0.2647143 0.0 0.0 0.0 0.0
-0.0001543  0.0007391 -0.1736979  0.2045800 -0.1465279 0.0 0.0 0.0 0.0
 0.0000936 -0.0004707 -0.0084878  0.7361646 -0.5071995 0.0 0.0 0.0 0.0
-0.0000380  0.0001236 -0.0011645  0.3401664 -0.1477858 1.0 0.0 0.0 0.0
 0.0000156 -0.0000538  0.0003202  0.0307514  0.5484648 0.0 1.0 0.0 0.0
-0.0000060  0.0000208 -0.0000996 -0.0003315  0.5640171 0.0 0.0 1.0 0.0
 0.0000015 -0.0000054  0.0000216  0.0000784  0.1218112 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.41517970D+05 0.10302684D+05 0.34800733D+04 0.14173787D+04 0.64827795D+03 0.31843070D+03
 0.16510590D+03 0.89881114D+02 0.50624429D+02 0.28822024D+02 0.16138915D+02 0.89122288D+01
 0.46936967D+01 0.24031058D+01 0.11513709D+01 0.44003599D+00 0.15781510D+00 0.51771969D-01
 0.0001187  0.0000683  0.0000316 -0.0000070 0.0 0.0 0.0 0.0
 0.0007656  0.0004415  0.0002048 -0.0000453 0.0 0.0 0.0 0.0
 0.0039015  0.0022634  0.0010502 -0.0002315 0.0 0.0 0.0 0.0
 0.0160162  0.0093530  0.0043530 -0.0009646 0.0 0.0 0.0 0.0
 0.0538226  0.0318581  0.0148517 -0.0032755 0.0 0.0 0.0 0.0
 0.1439668  0.0866587  0.0406408 -0.0090243 0.0 0.0 0.0 0.0
 0.2753980  0.1659213  0.0776303 -0.0170919 0.0 0.0 0.0 0.0
 0.3481016  0.1929734  0.0885227 -0.0197398 0.0 0.0 0.0 0.0
 0.2597721  0.0409524 -0.0003575  0.0013194 0.0 0.0 0.0 0.0
 0.1002291 -0.2717378 -0.1755847  0.0397666 0.0 0.0 0.0 0.0
 0.0147053 -0.4781568 -0.3078721  0.0732022 0.0 0.0 0.0 0.0
 0.0003587 -0.3072959 -0.0561390  0.0026668 0.0 0.0 0.0 0.0
 0.0000563 -0.0631803  0.4400501 -0.1221892 0.0 0.0 0.0 0.0
-0.0000745 -0.0013003  0.5132154 -0.1514253 0.0 0.0 0.0 0.0
 0.0000053 -0.0004773  0.1972395  0.0631614 1.0 0.0 0.0 0.0
-0.0000065  0.0001288  0.0158105  0.3726861 0.0 1.0 0.0 0.0
 0.0000018 -0.0000468 -0.0007150  0.5075045 0.0 0.0 1.0 0.0
-0.0000005  0.0000146  0.0002676  0.3149196 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21331922D+04 0.71853979D+03 0.30678101D+03 0.14818332D+03 0.75758844D+02 0.39923067D+02
 0.21099163D+02 0.11123759D+02 0.57476140D+01 0.28458669D+01 0.13427102D+01 0.58786559D+00
 0.22732217D+00
-0.0002733  0.0000996 0.0 0.0 0.0
-0.0024131  0.0008759 0.0 0.0 0.0
-0.0133097  0.0048737 0.0 0.0 0.0
-0.0501451  0.0183207 0.0 0.0 0.0
-0.1388036  0.0511877 0.0 0.0 0.0
-0.2740545  0.0977827 0.0 0.0 0.0
-0.3673376  0.1182827 0.0 0.0 0.0
-0.2981174  0.0340668 0.0 0.0 0.0
-0.1173350 -0.1897311 0.0 0.0 0.0
-0.0151439 -0.3822003 0.0 0.0 0.0
-0.0005105 -0.3858613 1.0 0.0 0.0
-0.0001046 -0.2415160 0.0 1.0 0.0
-0.0000292 -0.0758872 0.0 0.0 1.0
*
End

*
/Es.ECP.Paulovic.14s10p12d9f.2s1p2d1f.31e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on EsQR(6L)
*
 31.000000         3

* S-type functions
   14    6
  12056415.949999999
   1025664.941000000
    141461.884200000
     24191.187200000
      4708.094878000
       340.423946700
        56.541632330
        13.800053660
         4.033415943
         2.771511230
         0.771843964
         0.359036644
         0.085792130
         0.032196980
      0.000246071840     -0.000068808712 0.0 0.0 0.0 0.0
      0.000917448090     -0.000256550080 0.0 0.0 0.0 0.0
      0.002694489900     -0.000753447730 0.0 0.0 0.0 0.0
      0.007792825200     -0.002179361700 0.0 0.0 0.0 0.0
      0.018283127000     -0.005112336700 0.0 0.0 0.0 0.0
     -0.119006200000      0.033344250000 0.0 0.0 0.0 0.0
      0.398449290000     -0.112648300000 0.0 0.0 0.0 0.0
     -0.906835130000      0.264252750000 0.0 0.0 0.0 0.0
      0.736517600000     -0.238553490000 0.0 0.0 0.0 0.0
      0.690628900000     -0.221047920000 0.0 0.0 0.0 0.0
     -0.938531600000      0.430661840000 1.0 0.0 0.0 0.0
     -0.467534580000      0.364801540000 0.0 1.0 0.0 0.0
     -0.012381289000     -0.676323580000 0.0 0.0 1.0 0.0
      0.002300818100     -0.557670400000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10967.201200000
      2163.142563000
       601.199542200
        80.301962620
        16.050584580
         4.296606725
         2.889028449
         0.752737757
         0.342766313
         0.135347874
      0.002632964800 0.0 0.0 0.0 0.0
      0.012691871000 0.0 0.0 0.0 0.0
      0.035435468000 0.0 0.0 0.0 0.0
     -0.141839690000 0.0 0.0 0.0 0.0
      0.355600720000 0.0 0.0 0.0 0.0
     -0.361006470000 0.0 0.0 0.0 0.0
     -0.317522160000 1.0 0.0 0.0 0.0
      0.604210700000 0.0 1.0 0.0 0.0
      0.491840700000 0.0 0.0 1.0 0.0
      0.082852474000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1262.248538000
       351.521073100
       126.073894600
        23.272696290
        11.616812550
         5.633942665
         3.004213234
         1.513177718
         0.626253271
         0.253405502
         0.096939451
         0.038402829
      0.010110437000     -0.002177375500 0.0 0.0 0.0 0.0
      0.060138648000     -0.013073865000 0.0 0.0 0.0 0.0
      0.142090710000     -0.030420710000 0.0 0.0 0.0 0.0
     -0.335596780000      0.078317813000 0.0 0.0 0.0 0.0
     -0.221205450000      0.043804694000 0.0 0.0 0.0 0.0
      0.333421390000     -0.093133429000 0.0 0.0 0.0 0.0
      0.524645230000     -0.153745690000 0.0 0.0 0.0 0.0
      0.295367850000     -0.016748674000 0.0 0.0 0.0 0.0
      0.043728198000      0.247686470000 1.0 0.0 0.0 0.0
     -0.002407836900      0.435562320000 0.0 1.0 0.0 0.0
      0.001419024500      0.396425150000 0.0 0.0 1.0 0.0
     -0.000449517410      0.173224770000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       377.274272100
       126.443619300
        51.376070360
        22.372125650
         4.877490213
         2.333030213
         1.096743687
         0.492569693
         0.198921759
     -0.005548817600 0.0 0.0 0.0
     -0.036618842000 0.0 0.0 0.0
     -0.112095680000 0.0 0.0 0.0
     -0.154452320000 0.0 0.0 0.0
      0.283867370000 0.0 0.0 0.0
      0.408392240000 0.0 0.0 0.0
      0.332814320000 1.0 0.0 0.0
      0.177872670000 0.0 1.0 0.0
      0.048281157000 0.0 0.0 1.0
*
* Core AIMP:Es DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    819678.540000000
    231689.024000000
     89007.824400000
     36488.132200000
     15587.595000000
      6788.067840000
      2968.349870000
      1376.627540000
       692.681322000
       266.942879000
       142.757416000
        29.511938000
        15.358107200
         6.573555970
         3.495170790
      0.026918827302
      0.017722328426
      0.025582866999
      0.035767599194
      0.046847701566
      0.057986252224
      0.081109703621
      0.136568957819
      0.144012692499
      0.139946024827
      0.416972307266
      0.627879965913
      0.170553397719
      0.229283102405
      0.036396659318
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   10270.028200    1989.445140     520.593300     141.720160      33.611322
 3289200500000.000000000
  308969460000.000000000
   48150946000.000000000
    9878113100.000000000
    2448562300.000000000
     718162640.000000000
     241168030.000000000
      86850899.000000000
      31059691.000000000
      10819383.000000000
       3737274.400000000
       1312667.800000000
        479496.330000000
        184415.390000000
         75248.511000000
         32746.781000000
         15119.492000000
          7260.552900000
          3577.893900000
          1802.885200000
           922.834380000
           472.244390000
           243.036730000
           121.368650000
            70.362717000
            39.241977000
            21.307633000
            12.029259000
             6.453465400
             3.302529000
             1.320808300
             0.761371090
             0.320535250
             0.080533471
             0.030586724
    0.000003600000   -0.000001600000    0.000000800000    0.000000400000   -0.000000200000
    0.000013600001   -0.000006000000    0.000003000000    0.000001600000   -0.000000800000
    0.000037900004   -0.000016600001    0.000008199999    0.000004300000   -0.000002200000
    0.000090900009   -0.000039800002    0.000019599999    0.000010300001   -0.000005300000
    0.000192800020   -0.000084100005    0.000041499997    0.000021900001   -0.000011200000
    0.000364100037   -0.000158500009    0.000078099994    0.000041200002   -0.000021100000
    0.000645900066   -0.000280700015    0.000138199990    0.000072900004   -0.000037400000
    0.001176500120   -0.000510600027    0.000251399982    0.000132500007   -0.000068000000
    0.002257300231   -0.000978800053    0.000481999965    0.000254100014   -0.000130400001
    0.004350300444   -0.001886500101    0.000929099933    0.000489700026   -0.000251300001
    0.008220800840   -0.003570300192    0.001758899874    0.000927100050   -0.000475800003
    0.014990701531   -0.006536000351    0.003222099769    0.001698700092   -0.000871800005
    0.026237202680   -0.011525600620    0.005690099592    0.003000900162   -0.001540200009
    0.044102504505   -0.019625301055    0.009710599304    0.005124100277   -0.002630500016
    0.070776907229   -0.032140801728    0.015964798856    0.008433100455   -0.004330300026
    0.107762811007   -0.050472202714    0.025204798194    0.013331100720   -0.006848400040
    0.156794316016   -0.076772904129    0.038683297229    0.020511501108   -0.010543200062
    0.215334821995   -0.112442906047    0.057304095895    0.030463201645   -0.015672700093
    0.255762726125   -0.144061407747    0.074672894650    0.039904402155   -0.020555300122
    0.226058823091   -0.124802806712    0.063376595460    0.033576401813   -0.017259100102
    0.113755211619    0.039181002107   -0.042176896978   -0.026027801406    0.013953200082
    0.019229101964    0.372972220058   -0.324295776767   -0.198784310736    0.106451400629
    0.000363800037    0.511726627520   -0.550345260572   -0.358804419378    0.195878901158
   -0.000075000008    0.203829310962   -0.077735094431   -0.030003501620    0.013579000080
    0.000073300007   -0.007654000412    0.718019248560    0.834354445062   -0.541432603201
   -0.000100500010    0.012317400662    0.535368461645    0.765175141326   -0.521944603086
    0.000080800008   -0.007141700384    0.095492493159   -0.538582929088    0.533970003157
   -0.000048600005    0.004078200219   -0.002789699800   -0.923870749897    1.362790908057
    0.000026000003   -0.002021500109    0.002337599833   -0.186650210081   -0.223704601323
   -0.000012000001    0.000872100047   -0.001107599921   -0.002251600122   -1.221729207223
    0.000006000001   -0.000437700024    0.000462099967   -0.000994000054   -0.240971101425
   -0.000003600000    0.000263600014   -0.000275799980    0.000436800024    0.053897200319
    0.000000900000   -0.000065500004    0.000071699995   -0.000053800003   -0.010850600064
   -0.000000200000    0.000016000001   -0.000016999999    0.000015300001    0.002319000014
    0.000000100000   -0.000005800000    0.000006200000   -0.000005300000   -0.000829600005
   26    4
    1618.574460     418.131640     107.822410      22.603784
 494030950.000000000
  69362480.000000000
  13970464.000000000
   3447261.300000000
    988270.040000000
    318381.150000000
    112357.890000000
     42905.634000000
     17547.522000000
      7599.270300000
      3461.028100000
      1652.259400000
       823.155420000
       426.250210000
       227.284330000
       123.335940000
        68.749668000
        38.431622000
        21.118025000
        11.866500000
         6.484992200
         3.500116900
         1.821364000
         0.832306100
         0.376249140
         0.154373310
    0.000009700000   -0.000005200000   -0.000002800000   -0.000001400000
    0.000030599998   -0.000016400001   -0.000008700000   -0.000004300000
    0.000083299996   -0.000044600003   -0.000023799999   -0.000011800000
    0.000206399990   -0.000110800008   -0.000058999998   -0.000029399999
    0.000482299976   -0.000259500019   -0.000138199995   -0.000068799998
    0.001099399944   -0.000593400043   -0.000316299988   -0.000157499995
    0.002496499874   -0.001353400098   -0.000722299973   -0.000359899989
    0.005681099713   -0.003098700225   -0.001655999937   -0.000825199975
    0.013075699339   -0.007195200522   -0.003854299854   -0.001922799942
    0.030331498466   -0.016905401226   -0.009084699656   -0.004532999864
    0.068811096520   -0.039126602837   -0.021137999200   -0.010571199683
    0.143903792723   -0.084247106109   -0.045861798264   -0.022958799311
    0.253501387181   -0.154150611179   -0.084822896788   -0.042655498720
    0.329827383322   -0.202801114707   -0.111761595768   -0.056054298318
    0.262468586728   -0.095702806940   -0.037940498563   -0.017099699487
    0.096687995111    0.242294017571    0.213300891924    0.121258996361
    0.009650399512    0.504393136578    0.458465282641    0.261580592150
    0.000835799958    0.326078223647    0.163798393798    0.067378897978
   -0.000513499974    0.065152604725   -0.502386280979   -0.440284186787
    0.000226799989    0.001499900109   -0.581578177980   -0.568422082941
   -0.000142099993    0.000451700033   -0.158672893992    0.256443592304
    0.000086199996   -0.000330400024   -0.006470199755    0.730555978075
   -0.000034699998    0.000064700005   -0.001278399952    0.313888690580
    0.000014099999   -0.000030500002    0.000356799986    0.027476399175
   -0.000005500000    0.000011600001   -0.000119999995   -0.000130699996
    0.000001400000   -0.000003100000    0.000026299999    0.000089499997
   18    2
     332.645200      75.053256
     39167.537000000
      9783.312200000
      3387.703900000
      1395.598600000
       639.246360000
       315.369760000
       164.600020000
        89.547050000
        49.993186000
        28.175649000
        15.973479000
         9.123465300
         5.365005400
         3.546182600
         2.468913200
         1.394618000
         0.705459450
         0.279658580
    0.000137599999    0.000079500002
    0.000862799995    0.000500000015
    0.004216899978    0.002457000074
    0.017156699909    0.010069300302
    0.057279599697    0.034069801022
    0.149172599210    0.090269102708
    0.280086798517    0.169164405074
    0.352084398135    0.194017905820
    0.254408598653    0.021865000656
    0.089953199524   -0.298506308954
    0.011216799941   -0.462863013884
    0.000755699996   -0.276685208299
   -0.000295999998   -0.062938401888
    0.000228199999   -0.009880800296
   -0.000164999999   -0.000503500015
    0.000022000000   -0.000467000014
   -0.000012500000    0.000061200002
    0.000000500000   -0.000018900001
   13    1
      42.652628
      2103.772100000
       706.692940000
       301.082950000
       145.673720000
        75.271662000
        40.177192000
        21.406081000
        11.314285000
         5.833209800
         2.867056100
         1.329783900
         0.566995660
         0.210339250
   -0.000303900000
   -0.002687499997
   -0.014775099985
   -0.054036099945
   -0.143257799855
   -0.275242999721
   -0.366477599628
   -0.293747699702
   -0.111550599887
   -0.013379599986
   -0.000549199999
   -0.000146400000
   -0.000057600000
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Es.AE.Paulovic.35s26p18d13f.7s5p4d2f.99e-DK3-AE.                                      *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32882497D+13 0.30896946D+12 0.48132141D+11 0.99519423D+10 0.24822665D+10 0.72317544D+09
 0.24128385D+09 0.86825829D+08 0.30992025D+08 0.10807654D+08 0.37342458D+07 0.13130125D+07
 0.47970295D+06 0.18448744D+06 0.75248511D+05 0.32746381D+05 0.15119498D+05 0.72606093D+04
 0.35778951D+04 0.18028848D+04 0.92283508D+03 0.47224439D+03 0.24303673D+03 0.12136871D+03
 0.70362702D+02 0.39241992D+02 0.21307625D+02 0.12029264D+02 0.64534605D+01 0.33025290D+01
 0.13208075D+01 0.76137167D+00 0.32053513D+00 0.80533471D-01 0.30587283D-01
 0.0000036 -0.0000016  0.0000008  0.0000004 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000136 -0.0000060  0.0000030  0.0000016 -0.0000008  0.0000004  0.0000001 0.0 0.0 0.0 0.0
 0.0000378 -0.0000166  0.0000082  0.0000043 -0.0000022  0.0000010  0.0000003 0.0 0.0 0.0 0.0
 0.0000899 -0.0000393  0.0000194  0.0000102 -0.0000052  0.0000024  0.0000007 0.0 0.0 0.0 0.0
 0.0001912 -0.0000834  0.0000411  0.0000217 -0.0000111  0.0000050  0.0000014 0.0 0.0 0.0 0.0
 0.0003657 -0.0001592  0.0000784  0.0000413 -0.0000212  0.0000095  0.0000027 0.0 0.0 0.0 0.0
 0.0006468 -0.0002810  0.0001384  0.0000730 -0.0000375  0.0000168  0.0000047 0.0 0.0 0.0 0.0
 0.0011790 -0.0005117  0.0002520  0.0001328 -0.0000682  0.0000306  0.0000085 0.0 0.0 0.0 0.0
 0.0022603 -0.0009801  0.0004827  0.0002544 -0.0001306  0.0000586  0.0000164 0.0 0.0 0.0 0.0
 0.0043501 -0.0018864  0.0009290  0.0004897 -0.0002514  0.0001128  0.0000315 0.0 0.0 0.0 0.0
 0.0082197 -0.0035698  0.0017586  0.0009270 -0.0004760  0.0002135  0.0000597 0.0 0.0 0.0 0.0
 0.0149766 -0.0065298  0.0032191  0.0016971 -0.0008715  0.0003909  0.0001092 0.0 0.0 0.0 0.0
 0.0262329 -0.0115236  0.0056891  0.0030005 -0.0015409  0.0006912  0.0001931 0.0 0.0 0.0 0.0
 0.0441006 -0.0196243  0.0097101  0.0051241 -0.0026319  0.0011806  0.0003299 0.0 0.0 0.0 0.0
 0.0708050 -0.0321532  0.0159710  0.0084367 -0.0043345  0.0019445  0.0005434 0.0 0.0 0.0 0.0
 0.1077419 -0.0504625  0.0252000  0.0133291 -0.0068511  0.0030738  0.0008588 0.0 0.0 0.0 0.0
 0.1568123 -0.0767807  0.0386871  0.0205144 -0.0105505  0.0047343  0.0013235 0.0 0.0 0.0 0.0
 0.2153131 -0.1124320  0.0572987  0.0304617 -0.0156803  0.0070375  0.0019652 0.0 0.0 0.0 0.0
 0.2557869 -0.1440728  0.0746784  0.0399090 -0.0205693  0.0092362  0.0025857 0.0 0.0 0.0 0.0
 0.2260364 -0.1247907  0.0633709  0.0335750 -0.0172667  0.0077440  0.0021525 0.0 0.0 0.0 0.0
 0.1137757  0.0391685 -0.0421707 -0.0260260  0.0139575 -0.0063197 -0.0017408 0.0 0.0 0.0 0.0
 0.0192118  0.3729778 -0.3242919 -0.1987893  0.1065178 -0.0483322 -0.0135960 0.0 0.0 0.0 0.0
 0.0003789  0.5117124 -0.5503379 -0.3588181  0.1959836 -0.0892673 -0.0248511 0.0 0.0 0.0 0.0
-0.0000903  0.2038513 -0.0777760 -0.0300511  0.0136484 -0.0060186 -0.0021222 0.0 0.0 0.0 0.0
 0.0000880 -0.0076659  0.7180471  0.8344593 -0.5418828  0.2584008  0.0739010 0.0 0.0 0.0 0.0
-0.0001115  0.0123269  0.5353573  0.7652709 -0.5221809  0.2533804  0.0698754 0.0 0.0 0.0 0.0
 0.0000886 -0.0071498  0.0955100 -0.5389396  0.5343128 -0.2824136 -0.0776806 0.0 0.0 0.0 0.0
-0.0000536  0.0040829 -0.0027984 -0.9235879  1.3637683 -0.8271189 -0.2477243 0.0 0.0 0.0 0.0
 0.0000286 -0.0020239  0.0023397 -0.1867187 -0.2233950  0.2589486  0.0888770 0.0 0.0 0.0 0.0
-0.0000132  0.0008733 -0.0011122 -0.0022537 -1.2248649  1.2181707  0.3808898 0.0 0.0 0.0 0.0
 0.0000066 -0.0004383  0.0004641 -0.0009812 -0.2386221  0.1211180  0.0658452 0.0 0.0 0.0 0.0
-0.0000039  0.0002638 -0.0002771  0.0004413  0.0538757 -1.0792406 -0.5315985 1.0 0.0 0.0 0.0
 0.0000010 -0.0000657  0.0000721 -0.0000496 -0.0106966 -0.3945476 -0.3014291 0.0 1.0 0.0 0.0
-0.0000003  0.0000160 -0.0000168  0.0000149  0.0022930  0.0027062  0.7432438 0.0 0.0 1.0 0.0
 0.0000001 -0.0000058  0.0000064 -0.0000067 -0.0008252 -0.0021312  0.4897854 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50021836D+09 0.70708514D+08 0.14273882D+08 0.35267210D+07 0.10046319D+07 0.31983215D+06
 0.11262684D+06 0.42993092D+05 0.17523364D+05 0.75935044D+04 0.34617103D+04 0.16531588D+04
 0.82416833D+03 0.42631008D+03 0.22695463D+03 0.12337580D+03 0.68820925D+02 0.38497063D+02
 0.21049186D+02 0.11804630D+02 0.64422798D+01 0.34713789D+01 0.18034633D+01 0.84119835D+00
 0.38183898D+00 0.15791512D+00
 0.0000096 -0.0000051 -0.0000027 -0.0000014  0.0000005 0.0 0.0 0.0 0.0
 0.0000302 -0.0000162 -0.0000086 -0.0000043  0.0000017 0.0 0.0 0.0 0.0
 0.0000819 -0.0000439 -0.0000234 -0.0000116  0.0000046 0.0 0.0 0.0 0.0
 0.0002030 -0.0001090 -0.0000580 -0.0000289  0.0000114 0.0 0.0 0.0 0.0
 0.0004808 -0.0002587 -0.0001378 -0.0000687  0.0000271 0.0 0.0 0.0 0.0
 0.0011034 -0.0005955 -0.0003174 -0.0001582  0.0000624 0.0 0.0 0.0 0.0
 0.0024875 -0.0013486 -0.0007197 -0.0003590  0.0001416 0.0 0.0 0.0 0.0
 0.0056893 -0.0031030 -0.0016584 -0.0008273  0.0003263 0.0 0.0 0.0 0.0
 0.0131199 -0.0072200 -0.0038677 -0.0019316  0.0007624 0.0 0.0 0.0 0.0
 0.0302926 -0.0168827 -0.0090731 -0.0045323  0.0017877 0.0 0.0 0.0 0.0
 0.0687780 -0.0391113 -0.0211299 -0.0105793  0.0041789 0.0 0.0 0.0 0.0
 0.1436651 -0.0840936 -0.0457817 -0.0229440  0.0090536 0.0 0.0 0.0 0.0
 0.2532580 -0.1540257 -0.0847509 -0.0426688  0.0168861 0.0 0.0 0.0 0.0
 0.3308157 -0.2033040 -0.1120536 -0.0562605  0.0221754 0.0 0.0 0.0 0.0
 0.2623629 -0.0956135 -0.0378015 -0.0170499  0.0066788 0.0 0.0 0.0 0.0
 0.0960881  0.2420382  0.2127739  0.1211064 -0.0495289 0.0 0.0 0.0 0.0
 0.0099964  0.5034264  0.4582716  0.2617781 -0.1058460 0.0 0.0 0.0 0.0
 0.0006433  0.3272378  0.1637759  0.0674581 -0.0262893 0.0 0.0 0.0 0.0
-0.0003826  0.0657558 -0.5069105 -0.4456621  0.2029455 0.0 0.0 0.0 0.0
 0.0001416  0.0009171 -0.5799608 -0.5664408  0.2559449 0.0 0.0 0.0 0.0
-0.0000916  0.0006952 -0.1553554  0.2670995 -0.1843222 0.0 0.0 0.0 0.0
 0.0000596 -0.0004586 -0.0062131  0.7339303 -0.5063282 0.0 0.0 0.0 0.0
-0.0000233  0.0001269 -0.0011905  0.3045468 -0.1071383 1.0 0.0 0.0 0.0
 0.0000099 -0.0000553  0.0003527  0.0248596  0.5586760 0.0 1.0 0.0 0.0
-0.0000038  0.0000211 -0.0001123  0.0002623  0.5477161 0.0 0.0 1.0 0.0
 0.0000010 -0.0000054  0.0000245 -0.0000586  0.1168747 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.38328966D+05 0.97394136D+04 0.34086203D+04 0.14296671D+04 0.66421321D+03 0.32802190D+03
 0.16884447D+03 0.89862520D+02 0.49048410D+02 0.27164702D+02 0.15150268D+02 0.84264252D+01
 0.45095897D+01 0.23252452D+01 0.11175553D+01 0.42473773D+00 0.15105583D+00 0.49529763D-01
 0.0001403  0.0000811  0.0000378 -0.0000082 0.0 0.0 0.0 0.0
 0.0008623  0.0004997  0.0002333 -0.0000505 0.0 0.0 0.0 0.0
 0.0041052  0.0023921  0.0011183 -0.0002412 0.0 0.0 0.0 0.0
 0.0160934  0.0094424  0.0044220 -0.0009585 0.0 0.0 0.0 0.0
 0.0531983  0.0316182  0.0148532 -0.0032049 0.0 0.0 0.0 0.0
 0.1430633  0.0864968  0.0408075 -0.0088599 0.0 0.0 0.0 0.0
 0.2827322  0.1709786  0.0806744 -0.0173934 0.0 0.0 0.0 0.0
 0.3657358  0.2015733  0.0923438 -0.0200688 0.0 0.0 0.0 0.0
 0.2582070  0.0136561 -0.0168496  0.0049419 0.0 0.0 0.0 0.0
 0.0835060 -0.3275531 -0.2127327  0.0474177 0.0 0.0 0.0 0.0
 0.0092446 -0.4734548 -0.3013556  0.0698914 0.0 0.0 0.0 0.0
 0.0003112 -0.2575765  0.0148310 -0.0159215 0.0 0.0 0.0 0.0
-0.0000408 -0.0461155  0.4733463 -0.1280557 0.0 0.0 0.0 0.0
-0.0000406 -0.0010325  0.4812573 -0.1367305 0.0 0.0 0.0 0.0
-0.0000065 -0.0002970  0.1674663  0.0854853 1.0 0.0 0.0 0.0
-0.0000027  0.0000682  0.0118861  0.3824294 0.0 1.0 0.0 0.0
 0.0000004 -0.0000254 -0.0004648  0.5009364 0.0 0.0 1.0 0.0
-0.0000001  0.0000081  0.0001830  0.3027629 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21043648D+04 0.70780996D+03 0.30198706D+03 0.14599852D+03 0.75222735D+02 0.40098169D+02
 0.21386273D+02 0.11306075D+02 0.58143678D+01 0.28586907D+01 0.13370721D+01 0.58590181D+00
 0.22941360D+00
-0.0003035  0.0001126 0.0 0.0 0.0
-0.0026729  0.0009878 0.0 0.0 0.0
-0.0146679  0.0054682 0.0 0.0 0.0
-0.0539980  0.0200881 0.0 0.0 0.0
-0.1439902  0.0540688 0.0 0.0 0.0
-0.2755726  0.0997475 0.0 0.0 0.0
-0.3657967  0.1191401 0.0 0.0 0.0
-0.2940589  0.0279379 0.0 0.0 0.0
-0.1113851 -0.2063479 0.0 0.0 0.0
-0.0129306 -0.3943727 0.0 0.0 0.0
-0.0005676 -0.3782324 1.0 0.0 0.0
-0.0000753 -0.2244554 0.0 1.0 0.0
-0.0000474 -0.0681721 0.0 0.0 1.0
*
End

*
/Fm.ECP.Paulovic.14s10p12d9f.2s1p2d1f.32e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on FmQR(5L)
*
 32.000000         3

* S-type functions
   14    6
  17374503.840000000
   1192634.379000000
    147076.244800000
     24186.524120000
      4804.183221000
       353.250186600
        58.274877580
        14.300969530
         4.028249105
         2.620700532
         0.794292342
         0.361048227
         0.084332822
         0.032589983
      0.000222286480     -0.000061653941 0.0 0.0 0.0 0.0
      0.000943150380     -0.000261599240 0.0 0.0 0.0 0.0
      0.002874733700     -0.000797333950 0.0 0.0 0.0 0.0
      0.008090611700     -0.002244308300 0.0 0.0 0.0 0.0
      0.018097917000     -0.005019425900 0.0 0.0 0.0 0.0
     -0.119357660000      0.033169580000 0.0 0.0 0.0 0.0
      0.402004580000     -0.112716280000 0.0 0.0 0.0 0.0
     -0.915955550000      0.264510130000 0.0 0.0 0.0 0.0
      0.958281170000     -0.303870350000 0.0 0.0 0.0 0.0
      0.479928030000     -0.157337840000 0.0 0.0 0.0 0.0
     -0.975150340000      0.453500530000 1.0 0.0 0.0 0.0
     -0.438657980000      0.333410800000 0.0 1.0 0.0 0.0
     -0.009950824300     -0.703667210000 0.0 0.0 1.0 0.0
      0.001932080900     -0.520615300000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10971.134920000
      2163.366004000
       610.565243300
        82.685432230
        16.527804770
         4.480570214
         3.001304929
         0.771194609
         0.344321986
         0.135123955
      0.002761654100 0.0 0.0 0.0 0.0
      0.013070325000 0.0 0.0 0.0 0.0
      0.035243252000 0.0 0.0 0.0 0.0
     -0.142432550000 0.0 0.0 0.0 0.0
      0.357913910000 0.0 0.0 0.0 0.0
     -0.359780840000 0.0 0.0 0.0 0.0
     -0.318007080000 1.0 0.0 0.0 0.0
      0.618923660000 0.0 1.0 0.0 0.0
      0.483898140000 0.0 0.0 1.0 0.0
      0.075113014000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1270.566112000
       354.617702900
       127.908690800
        24.705445190
        13.176402200
         5.718744269
         3.062413175
         1.496983291
         0.658560661
         0.275065134
         0.100308055
         0.032159432
      0.010568357000     -0.002225321500 0.0 0.0 0.0 0.0
      0.061935178000     -0.013156373000 0.0 0.0 0.0 0.0
      0.142918070000     -0.029914800000 0.0 0.0 0.0 0.0
     -0.307547230000      0.070648754000 0.0 0.0 0.0 0.0
     -0.235080180000      0.046300151000 0.0 0.0 0.0 0.0
      0.320130340000     -0.091346108000 0.0 0.0 0.0 0.0
      0.545791080000     -0.150673360000 0.0 0.0 0.0 0.0
      0.275301300000     -0.011027941000 0.0 0.0 0.0 0.0
      0.035370998000      0.226748130000 1.0 0.0 0.0 0.0
      0.000764024060      0.418114480000 0.0 1.0 0.0 0.0
      0.000151035180      0.452097690000 0.0 0.0 1.0 0.0
     -0.000011734610      0.169190750000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       390.187410600
       130.816371700
        53.217867410
        23.217068680
         5.089232224
         2.428783859
         1.130689700
         0.499536218
         0.199954503
     -0.005587396800 0.0 0.0 0.0
     -0.036944547000 0.0 0.0 0.0
     -0.113553300000 0.0 0.0 0.0
     -0.157184650000 0.0 0.0 0.0
      0.288235930000 0.0 0.0 0.0
      0.412707730000 0.0 0.0 0.0
      0.333346930000 1.0 0.0 0.0
      0.172371130000 0.0 1.0 0.0
      0.043502421000 0.0 0.0 1.0
*
* Core AIMP:Fm DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    710891.360000000
    181705.889000000
     64260.957100000
     24449.513600000
      9687.735020000
      3873.426580000
      1630.842140000
       769.485822000
       287.990502000
       147.931410000
        30.478184000
        16.041315500
         6.852782480
         3.645820870
      0.029280783207
      0.021433018319
      0.031644058050
      0.044299401961
      0.057022016408
      0.076449386128
      0.131516373709
      0.156278305246
      0.133360735967
      0.412446050751
      0.606844717431
      0.165014008045
      0.223190974226
      0.036220170551
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   10535.136400    2048.893800     537.540460     146.964568      34.971444
 3312387500000.000000000
  308415300000.000000000
   47787046000.000000000
    9746892700.000000000
    2432438300.000000000
     713696780.000000000
     240600310.000000000
      87250784.000000000
      31218713.000000000
      10859057.000000000
       3738734.500000000
       1310900.100000000
        479496.330000000
        184307.360000000
         75208.889000000
         32742.543000000
         15116.574000000
          7258.322300000
          3579.990900000
          1801.883300000
           921.393570000
           472.273220000
           243.666450000
           121.250690000
            70.362717000
            39.112596000
            21.307633000
            12.042620000
             6.445180200
             3.320477000
             1.320877800
             0.766144560
             0.354064660
             0.080534945
             0.030590075
    0.000004000000   -0.000001800000    0.000000900000    0.000000500000   -0.000000200000
    0.000015000000   -0.000006700000    0.000003300000    0.000001700000   -0.000000900000
    0.000041799999   -0.000018500001    0.000009100000    0.000004800000   -0.000002500000
    0.000099299998   -0.000043700002    0.000021600000    0.000011399999   -0.000005900000
    0.000208199997   -0.000091400005    0.000045099999    0.000023799999   -0.000012300000
    0.000393099994   -0.000172200009    0.000084899998    0.000044899998   -0.000023100000
    0.000686899989   -0.000300400016    0.000148099997    0.000078199996   -0.000040300000
    0.001246599981   -0.000544400029    0.000268399994    0.000141699992   -0.000073000000
    0.002392299963   -0.001043900056    0.000514599988    0.000271699985   -0.000139999999
    0.004601599929   -0.002007800109    0.000989899978    0.000522699971   -0.000269399999
    0.008686299866   -0.003795700205    0.001871899958    0.000988599946   -0.000509499998
    0.015724599758   -0.006898400373    0.003404499923    0.001798299902   -0.000926799996
    0.027373499578   -0.012099800655    0.005980199865    0.003159999828   -0.001628799992
    0.045877699293   -0.020545201112    0.010177299770    0.005380799707   -0.002774099987
    0.073116698874   -0.033420301809    0.016620399624    0.008796699520   -0.004536099978
    0.110702498294   -0.052198602825    0.026098499409    0.013830899246   -0.007135899966
    0.160044297534   -0.078896004269    0.039808099099    0.021150698846   -0.010917199948
    0.217565296648   -0.114333206187    0.058332298680    0.031069898306   -0.016056399923
    0.255177496069   -0.144046407795    0.074713098309    0.040000597818   -0.020684199901
    0.222094196578   -0.119861006486    0.060256498636    0.031870598262   -0.016455099921
    0.107677698341    0.054179402932   -0.052910798802   -0.032338898236    0.017409799917
    0.017347399733    0.385772920876   -0.339202592322   -0.208988988602    0.112412699463
    0.000249099996    0.502595827197   -0.543177887706   -0.355706680600    0.195519599066
   -0.000009500000    0.190653610317   -0.035026599207    0.007050499615   -0.009376399955
   -0.000000700000   -0.010150400549    0.735821483345    0.871328652479   -0.569245597281
   -0.000039299999    0.012316800667    0.507120488522    0.716929360900   -0.495107597635
    0.000036999999   -0.007287900394    0.079797198194   -0.614890166465    0.627016497005
   -0.000020200000    0.004175700226   -0.001138099974   -0.886015751678    1.339336193603
    0.000011300000   -0.002078500112    0.001328899970   -0.161801091176   -0.344453598355
   -0.000005700000    0.000910000049   -0.000706399984   -0.001047499943   -1.179502194367
    0.000002800000   -0.000470200025    0.000277299994   -0.001109599939   -0.212421398985
   -0.000001800000    0.000300200016   -0.000174599996    0.000542199970    0.051262599755
    0.000000500000   -0.000079200004    0.000049499999   -0.000088699995   -0.010853699948
   -0.000000100000    0.000015400001   -0.000009200000    0.000018999999    0.001785899991
    0.000000000000   -0.000005800000    0.000003500000   -0.000006900000   -0.000659599997
   26    4
    1659.511280     430.241140     111.499268      23.434068
 490772260.000000000
  68890516.000000000
  13876032.000000000
   3427260.300000000
    982977.920000000
    317157.580000000
    112163.130000000
     42913.817000000
     17553.818000000
      7600.632900000
      3461.385200000
      1651.790100000
       822.888240000
       426.287200000
       227.600850000
       123.230170000
        68.713254000
        38.458084000
        21.147372000
        11.904852000
         6.503299700
         3.498034800
         1.809993200
         0.833139240
         0.375747080
         0.153158320
    0.000010400000   -0.000005600000   -0.000003000000   -0.000001500000
    0.000032700000   -0.000017500000   -0.000009400000   -0.000004700000
    0.000088500000   -0.000047599999   -0.000025400000   -0.000012700000
    0.000218899999   -0.000117799997   -0.000062900000   -0.000031400001
    0.000510499998   -0.000275199994   -0.000147000000   -0.000073500002
    0.001159099996   -0.000626799986   -0.000335000001   -0.000167600004
    0.002620099992   -0.001423499967   -0.000761700002   -0.000381300008
    0.005943399982   -0.003249199925   -0.001741200006   -0.000871700019
    0.013657099959   -0.007532899826   -0.004046500013   -0.002028200045
    0.031551099905   -0.017632299593   -0.009502500030   -0.004763600106
    0.071282899784   -0.040646999062   -0.022024500071   -0.011067800246
    0.148080599552   -0.086970597993   -0.047487900152   -0.023883800531
    0.258184099219   -0.157420196368   -0.086886800278   -0.043912300976
    0.329979599002   -0.202493495328   -0.111706600358   -0.056235901250
    0.256452899224   -0.085375198030   -0.030758600098   -0.013352600297
    0.091571099723    0.260389593992    0.229413900735    0.131301402918
    0.007832399976    0.505307788340    0.460988901476    0.263993505867
    0.001125799997    0.310931292826    0.135027900432    0.048648101081
   -0.000742899998    0.059043798638   -0.527183001688   -0.469456210432
    0.000383499999    0.000972499978   -0.564322101807   -0.549996112222
   -0.000230399999    0.000477599989   -0.143894100461    0.309527306878
    0.000133000000   -0.000356599992   -0.005147200016    0.727444116166
   -0.000056600000    0.000084199998   -0.001168000004    0.283667706304
    0.000023000000   -0.000038199999    0.000335000001    0.022137200492
   -0.000008900000    0.000014400000   -0.000112300000    0.000315400007
    0.000002200000   -0.000003800000    0.000024100000   -0.000027800001
   18    2
     342.127040      77.730754
     38263.672000000
      9701.335100000
      3389.779500000
      1396.187100000
       638.807290000
       315.290810000
       164.507270000
        89.573353000
        50.105075000
        28.145921000
        15.965204000
         9.100152500
         5.344279300
         3.537988900
         2.482244500
         1.394071700
         0.692365820
         0.242522700
    0.000149600001    0.000086799995
    0.000912100009    0.000530799967
    0.004415800042    0.002583899840
    0.017996600171    0.010610699341
    0.059718500567    0.035687897784
    0.154089301462    0.093685994183
    0.285994902714    0.173216689244
    0.351161003332    0.192272788061
    0.247639202350    0.008951999444
    0.085233400809   -0.314694980459
    0.009035100086   -0.463081471246
    0.001289100012   -0.262853383678
   -0.000978500009   -0.054459896618
    0.000874900008   -0.009183699430
   -0.000515100005    0.000062699996
    0.000101700001   -0.000521899968
   -0.000029700000    0.000060599996
    0.000003200000   -0.000017899999
   13    1
      44.610772
      2106.921100000
       706.644320000
       300.803960000
       145.543160000
        75.301026000
        40.200965000
        21.409036000
        11.324544000
         5.834869100
         2.869282900
         1.330306800
         0.567568840
         0.211863650
   -0.000325300023
   -0.002876600207
   -0.015744301130
   -0.056949804089
   -0.149051910701
   -0.282517920283
   -0.368495626456
   -0.284569820430
   -0.102310507345
   -0.011178500803
   -0.000677400049
   -0.000160400012
   -0.000085700006
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Fm.AE.Paulovic.35s26p18d13f.7s5p4d2f.100e-DK3-AE.                                     *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32712404D+13 0.31798844D+12 0.49413213D+11 0.99675162D+10 0.24668375D+10 0.72165139D+09
 0.24098831D+09 0.86656453D+08 0.30999127D+08 0.10763771D+08 0.37244302D+07 0.13117382D+07
 0.47949633D+06 0.18467867D+06 0.75349616D+05 0.32769343D+05 0.15100839D+05 0.72636746D+04
 0.35803029D+04 0.17956167D+04 0.92130078D+03 0.47223755D+03 0.24366645D+03 0.12125069D+03
 0.70362717D+02 0.39112596D+02 0.21307598D+02 0.12042620D+02 0.64451697D+01 0.33205631D+01
 0.13208775D+01 0.76614456D+00 0.35405990D+00 0.80525981D-01 0.30567888D-01
 0.0000039 -0.0000018  0.0000009  0.0000005 -0.0000002  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000146 -0.0000065  0.0000032  0.0000017 -0.0000009  0.0000004  0.0000001 0.0 0.0 0.0 0.0
 0.0000411 -0.0000181  0.0000090  0.0000047 -0.0000024  0.0000011  0.0000003 0.0 0.0 0.0 0.0
 0.0000987 -0.0000435  0.0000215  0.0000113 -0.0000058  0.0000026  0.0000007 0.0 0.0 0.0 0.0
 0.0002071 -0.0000909  0.0000449  0.0000237 -0.0000122  0.0000055  0.0000015 0.0 0.0 0.0 0.0
 0.0003919 -0.0001717  0.0000847  0.0000447 -0.0000231  0.0000104  0.0000029 0.0 0.0 0.0 0.0
 0.0006947 -0.0003038  0.0001498  0.0000791 -0.0000408  0.0000183  0.0000051 0.0 0.0 0.0 0.0
 0.0012542 -0.0005477  0.0002700  0.0001426 -0.0000735  0.0000330  0.0000092 0.0 0.0 0.0 0.0
 0.0024062 -0.0010499  0.0005176  0.0002733 -0.0001409  0.0000633  0.0000176 0.0 0.0 0.0 0.0
 0.0046221 -0.0020168  0.0009943  0.0005251 -0.0002707  0.0001216  0.0000338 0.0 0.0 0.0 0.0
 0.0086472 -0.0037787  0.0018635  0.0009842 -0.0005075  0.0002279  0.0000633 0.0 0.0 0.0 0.0
 0.0157100 -0.0068920  0.0034013  0.0017967 -0.0009265  0.0004161  0.0001155 0.0 0.0 0.0 0.0
 0.0273588 -0.0120931  0.0059768  0.0031584 -0.0016288  0.0007316  0.0002031 0.0 0.0 0.0 0.0
 0.0457392 -0.0204830  0.0101464  0.0053647 -0.0027673  0.0012430  0.0003451 0.0 0.0 0.0 0.0
 0.0731247 -0.0334204  0.0166201  0.0087968 -0.0045386  0.0020385  0.0005659 0.0 0.0 0.0 0.0
 0.1108764 -0.0522824  0.0261408  0.0138540 -0.0071516  0.0032135  0.0008920 0.0 0.0 0.0 0.0
 0.1602530 -0.0789944  0.0398567  0.0211773 -0.0109368  0.0049125  0.0013640 0.0 0.0 0.0 0.0
 0.2167582 -0.1139249  0.0581270  0.0309623 -0.0160091  0.0071991  0.0019977 0.0 0.0 0.0 0.0
 0.2565989 -0.1447820  0.0750824  0.0401978 -0.0207976  0.0093400  0.0025962 0.0 0.0 0.0 0.0
 0.2220266 -0.1198577  0.0602581  0.0318731 -0.0164638  0.0074177  0.0020504 0.0 0.0 0.0 0.0
 0.1065779  0.0548510 -0.0532654 -0.0325310  0.0175155 -0.0079980 -0.0022011 0.0 0.0 0.0 0.0
 0.0178850  0.3854188 -0.3390099 -0.2088937  0.1124303 -0.0509678 -0.0142293 0.0 0.0 0.0 0.0
-0.0001242  0.5028062 -0.5432789 -0.3557756  0.1956448 -0.0895638 -0.0247948 0.0 0.0 0.0 0.0
 0.0003287  0.1904375 -0.0349379  0.0070729 -0.0093457  0.0055590  0.0011853 0.0 0.0 0.0 0.0
-0.0003138 -0.0099250  0.7357122  0.8713696 -0.5696941  0.2706633  0.0767419 0.0 0.0 0.0 0.0
 0.0001880  0.0121427  0.5072222  0.7170610 -0.4952828  0.2446771  0.0672033 0.0 0.0 0.0 0.0
-0.0001226 -0.0071609  0.0797254 -0.6152775  0.6273196 -0.3414375 -0.0944651 0.0 0.0 0.0 0.0
 0.0000818  0.0040916 -0.0010844 -0.8856917  1.3404287 -0.8117642 -0.2413661 0.0 0.0 0.0 0.0
-0.0000411 -0.0020341  0.0012969 -0.1619060 -0.3444507  0.3480783  0.1149296 0.0 0.0 0.0 0.0
 0.0000172  0.0008906 -0.0006945 -0.0010287 -1.1823415  1.2037289  0.3753061 0.0 0.0 0.0 0.0
-0.0000092 -0.0004598  0.0002703 -0.0011054 -0.2100532 -0.0152338  0.0134580 0.0 0.0 0.0 0.0
 0.0000060  0.0002934 -0.0001695  0.0005523  0.0510702 -0.9642960 -0.4807001 1.0 0.0 0.0 0.0
-0.0000015 -0.0000776  0.0000482 -0.0000913 -0.0106643 -0.4074333 -0.2954079 0.0 1.0 0.0 0.0
 0.0000003  0.0000151 -0.0000085  0.0000192  0.0017626 -0.0088027  0.7531218 0.0 0.0 1.0 0.0
-0.0000001 -0.0000056  0.0000034 -0.0000070 -0.0006554  0.0017167  0.4651936 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.50269962D+09 0.71033070D+08 0.14377342D+08 0.35473715D+07 0.10102839D+07 0.32053198D+06
 0.11253716D+06 0.42974799D+05 0.17532737D+05 0.75895057D+04 0.34614341D+04 0.16538088D+04
 0.82448558D+03 0.42657567D+03 0.22698742D+03 0.12326412D+03 0.68916818D+02 0.38616348D+02
 0.21004729D+02 0.11780211D+02 0.64372454D+01 0.34651796D+01 0.17985397D+01 0.84831807D+00
 0.39024535D+00 0.16274191D+00
 0.0000102 -0.0000055 -0.0000029 -0.0000015  0.0000006 0.0 0.0 0.0 0.0
 0.0000318 -0.0000171 -0.0000091 -0.0000046  0.0000018 0.0 0.0 0.0 0.0
 0.0000862 -0.0000463 -0.0000247 -0.0000124  0.0000049 0.0 0.0 0.0 0.0
 0.0002138 -0.0001150 -0.0000614 -0.0000307  0.0000121 0.0 0.0 0.0 0.0
 0.0005057 -0.0002726 -0.0001456 -0.0000729  0.0000287 0.0 0.0 0.0 0.0
 0.0011638 -0.0006294 -0.0003364 -0.0001685  0.0000663 0.0 0.0 0.0 0.0
 0.0026184 -0.0014225 -0.0007612 -0.0003815  0.0001502 0.0 0.0 0.0 0.0
 0.0059516 -0.0032535 -0.0017437 -0.0008739  0.0003439 0.0 0.0 0.0 0.0
 0.0137029 -0.0075588 -0.0040603 -0.0020373  0.0008023 0.0 0.0 0.0 0.0
 0.0315602 -0.0176365 -0.0095061 -0.0047706  0.0018774 0.0 0.0 0.0 0.0
 0.0711421 -0.0405709 -0.0219814 -0.0110584  0.0043587 0.0 0.0 0.0 0.0
 0.1476944 -0.0867254 -0.0473631 -0.0238468  0.0093886 0.0 0.0 0.0 0.0
 0.2577594 -0.1571863 -0.0867371 -0.0438851  0.0173314 0.0 0.0 0.0 0.0
 0.3314451 -0.2032542 -0.1121829 -0.0565373  0.0222260 0.0 0.0 0.0 0.0
 0.2567911 -0.0852925 -0.0304291 -0.0131807  0.0051262 0.0 0.0 0.0 0.0
 0.0901145  0.2596601  0.2280049  0.1306286 -0.0533416 0.0 0.0 0.0 0.0
 0.0086970  0.5025528  0.4601237  0.2638743 -0.1064017 0.0 0.0 0.0 0.0
 0.0005893  0.3143688  0.1358224  0.0490875 -0.0185816 0.0 0.0 0.0 0.0
-0.0003604  0.0598732 -0.5371054 -0.4803917  0.2192225 0.0 0.0 0.0 0.0
 0.0001296  0.0001356 -0.5591740 -0.5433651  0.2433869 0.0 0.0 0.0 0.0
-0.0000803  0.0007780 -0.1379797  0.3256306 -0.2183806 0.0 0.0 0.0 0.0
 0.0000531 -0.0005034 -0.0050848  0.7249336 -0.5024464 0.0 0.0 0.0 0.0
-0.0000208  0.0001544 -0.0010027  0.2750320 -0.0676451 1.0 0.0 0.0 0.0
 0.0000090 -0.0000671  0.0002999  0.0206810  0.5597214 0.0 1.0 0.0 0.0
-0.0000035  0.0000256 -0.0000947  0.0005393  0.5319425 0.0 0.0 1.0 0.0
 0.0000009 -0.0000065  0.0000196 -0.0001208  0.1174467 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.37719095D+05 0.98101892D+04 0.34370176D+04 0.14096203D+04 0.64217542D+03 0.31643537D+03
 0.16491415D+03 0.89731099D+02 0.50476185D+02 0.28953400D+02 0.16503855D+02 0.92215561D+01
 0.49122292D+01 0.25284269D+01 0.12234744D+01 0.47070256D+00 0.16824094D+00 0.54298705D-01
 0.0001499  0.0000870  0.0000409 -0.0000086 0.0 0.0 0.0 0.0
 0.0008866  0.0005158  0.0002424 -0.0000513 0.0 0.0 0.0 0.0
 0.0043220  0.0025300  0.0011903 -0.0002512 0.0 0.0 0.0 0.0
 0.0178112  0.0104960  0.0049483 -0.0010487 0.0 0.0 0.0 0.0
 0.0594442  0.0355386  0.0168069 -0.0035481 0.0 0.0 0.0 0.0
 0.1535790  0.0933137  0.0443297 -0.0094140 0.0 0.0 0.0 0.0
 0.2860626  0.1734739  0.0823224 -0.0173495 0.0 0.0 0.0 0.0
 0.3505998  0.1915494  0.0879878 -0.0187277 0.0 0.0 0.0 0.0
 0.2444695  0.0142516 -0.0159034  0.0046848 0.0 0.0 0.0 0.0
 0.0873398 -0.2923690 -0.1918263  0.0416814 0.0 0.0 0.0 0.0
 0.0121261 -0.4691391 -0.3055889  0.0695521 0.0 0.0 0.0 0.0
 0.0003893 -0.2887000 -0.0300939 -0.0042854 0.0 0.0 0.0 0.0
-0.0000263 -0.0567137  0.4569330 -0.1217519 0.0 0.0 0.0 0.0
-0.0000514 -0.0015178  0.4986797 -0.1390878 0.0 0.0 0.0 0.0
-0.0000079 -0.0003629  0.1860405  0.0646233 1.0 0.0 0.0 0.0
-0.0000034  0.0000724  0.0154361  0.3538932 0.0 1.0 0.0 0.0
 0.0000004 -0.0000275 -0.0007577  0.5006976 0.0 0.0 1.0 0.0
-0.0000001  0.0000085  0.0002813  0.3472717 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.20727536D+04 0.70773892D+03 0.30329971D+03 0.14653409D+03 0.75392367D+02 0.40073348D+02
 0.21330682D+02 0.11263568D+02 0.57977874D+01 0.28805600D+01 0.13677878D+01 0.60524818D+00
 0.23701940D+00
-0.0003324  0.0001254 0.0 0.0 0.0
-0.0028272  0.0010617 0.0 0.0 0.0
-0.0154429  0.0058547 0.0 0.0 0.0
-0.0565912  0.0213989 0.0 0.0 0.0
-0.1502804  0.0573787 0.0 0.0 0.0
-0.2840251  0.1040854 0.0 0.0 0.0
-0.3688323  0.1205611 0.0 0.0 0.0
-0.2841644  0.0155635 0.0 0.0 0.0
-0.1005443 -0.2238851 0.0 0.0 0.0
-0.0108494 -0.3920626 0.0 0.0 0.0
-0.0006522 -0.3655243 1.0 0.0 0.0
-0.0000839 -0.2176625 0.0 1.0 0.0
-0.0000620 -0.0657292 0.0 0.0 1.0
*
End

*
/Md.ECP.Paulovic.14s10p12d9f.2s1p2d1f.33e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on MdQR(4K)
*
 33.000000         3

* S-type functions
   14    6
  17673784.010000002
   1499990.063000000
    200048.123300000
     31826.047400000
      5734.901603000
       359.136274500
        60.739142810
        14.667845000
         4.028316750
         1.917679006
         0.891080875
         0.396586072
         0.087101204
         0.032938955
      0.000224930590     -0.000061949430 0.0 0.0 0.0 0.0
      0.000827960100     -0.000228037610 0.0 0.0 0.0 0.0
      0.002496753600     -0.000687636650 0.0 0.0 0.0 0.0
      0.007347050600     -0.002023716700 0.0 0.0 0.0 0.0
      0.018704810000     -0.005151422000 0.0 0.0 0.0 0.0
     -0.120023070000      0.033122602000 0.0 0.0 0.0 0.0
      0.400990060000     -0.111639110000 0.0 0.0 0.0 0.0
     -0.924897930000      0.265301170000 0.0 0.0 0.0 0.0
      1.208346200000     -0.380847530000 0.0 0.0 0.0 0.0
      0.334724930000     -0.114205900000 0.0 0.0 0.0 0.0
     -0.997270510000      0.438792940000 1.0 0.0 0.0 0.0
     -0.507534670000      0.374574630000 0.0 1.0 0.0 0.0
     -0.014220630000     -0.703167150000 0.0 0.0 1.0 0.0
      0.003239544600     -0.518662950000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     10974.649440000
      2191.952621000
       624.189341700
        85.040456140
        17.026608980
         4.719920520
         3.152896952
         0.800128393
         0.360814740
         0.145852127
      0.002871344800 0.0 0.0 0.0 0.0
      0.013257078000 0.0 0.0 0.0 0.0
      0.035178512000 0.0 0.0 0.0 0.0
     -0.143024910000 0.0 0.0 0.0 0.0
      0.360124890000 0.0 0.0 0.0 0.0
     -0.339410120000 0.0 0.0 0.0 0.0
     -0.337961180000 1.0 0.0 0.0 0.0
      0.610207760000 0.0 1.0 0.0 0.0
      0.483202410000 0.0 0.0 1.0 0.0
      0.083913035000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1299.222362000
       363.023558800
       131.280720600
        25.318611860
        13.622976500
         5.824366054
         3.146823768
         1.530114668
         0.658014451
         0.270229685
         0.105325581
         0.037747706
      0.010746750000     -0.002208502900 0.0 0.0 0.0 0.0
      0.062522182000     -0.012964237000 0.0 0.0 0.0 0.0
      0.143922510000     -0.029396519000 0.0 0.0 0.0 0.0
     -0.312618510000      0.070212194000 0.0 0.0 0.0 0.0
     -0.229964110000      0.043856943000 0.0 0.0 0.0 0.0
      0.328705630000     -0.092222490000 0.0 0.0 0.0 0.0
      0.541257610000     -0.144454520000 0.0 0.0 0.0 0.0
      0.272119700000     -0.007927858300 0.0 0.0 0.0 0.0
      0.031897872000      0.239246600000 1.0 0.0 0.0 0.0
      0.000717158640      0.403131570000 0.0 1.0 0.0 0.0
      0.000067528980      0.415269450000 0.0 0.0 1.0 0.0
      0.000015318089      0.206787760000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       402.985238800
       135.127967600
        55.040791550
        24.061518740
         5.313127566
         2.546700475
         1.195486649
         0.535163396
         0.215808704
     -0.005633390000 0.0 0.0 0.0
     -0.037308567000 0.0 0.0 0.0
     -0.114987510000 0.0 0.0 0.0
     -0.159735510000 0.0 0.0 0.0
      0.290336400000 0.0 0.0 0.0
      0.410747200000 0.0 0.0 0.0
      0.328663890000 1.0 0.0 0.0
      0.172997850000 0.0 1.0 0.0
      0.046254091000 0.0 0.0 1.0
*
* Core AIMP:Md DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  15
    713631.450000000
    182824.895000000
     64699.698600000
     24603.489000000
      9776.144210000
      3939.646980000
      1673.081170000
       792.640788000
       298.321757000
       152.524014000
        31.534835300
        17.463359200
         7.538647300
         4.317479400
         2.133883200
      0.028888040451
      0.021058982551
      0.031049945259
      0.043249403192
      0.055125496766
      0.073880527423
      0.126943853896
      0.150715283509
      0.127889638726
      0.401510052929
      0.580061652837
      0.156655128766
      0.207210692549
      0.055283046491
      0.001084315262
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   10806.102200    2109.940800     554.933480     152.340384      36.359112
 3319721100000.000000000
  308549290000.000000000
   45944571000.000000000
    9310087500.000000000
    2314096600.000000000
     685870390.000000000
     237284540.000000000
      89612632.000000000
      32313443.000000000
      11045240.000000000
       3742511.500000000
       1304739.300000000
        476641.200000000
        183302.980000000
         74811.442000000
         32628.115000000
         15097.301000000
          7255.642100000
          3584.313200000
          1809.242600000
           922.416750000
           472.977620000
           244.243730000
           121.107380000
            70.362870000
            39.040334000
            21.309149000
            12.041802000
             6.445298900
             3.323982800
             1.320876000
             0.766246880
             0.354053270
             0.080536328
             0.031438162
    0.000004400000   -0.000002000000    0.000001000000    0.000000500000   -0.000000300000
    0.000016800001   -0.000007500000    0.000003700000    0.000002000000   -0.000001000000
    0.000047400002   -0.000021099999    0.000010400000    0.000005500000   -0.000002900000
    0.000111300005   -0.000049299997    0.000024399999    0.000012900000   -0.000006700000
    0.000231700010   -0.000102399993    0.000050599998    0.000026800000   -0.000013800000
    0.000426900018   -0.000188199988    0.000092899997    0.000049200000   -0.000025400000
    0.000713900030   -0.000314099979    0.000155099995    0.000082099999   -0.000042499999
    0.001270200053   -0.000558199964    0.000275499991    0.000145799999   -0.000075399999
    0.002514500104   -0.001104099928    0.000544899982    0.000288299997   -0.000149199998
    0.004909900204   -0.002155799859    0.001063899965    0.000562899994   -0.000291299996
    0.009234500384   -0.004060499735    0.002004599935    0.001060699989   -0.000548799993
    0.016579000689   -0.007318999522    0.003615899883    0.001913499981   -0.000990199987
    0.028676301191   -0.012756399167    0.006311599795    0.003341399967   -0.001729299977
    0.047790301985   -0.021541098593    0.010682399653    0.005658499944   -0.002929099961
    0.075726303145   -0.034845697724    0.017350299436    0.009200599908   -0.004763599936
    0.113541704716   -0.053906596479    0.026983999123    0.014327499857   -0.007422499901
    0.162968306769   -0.080887394717    0.040870098672    0.021757599783   -0.011275399849
    0.219635309122   -0.116120992416    0.059298398073    0.031642999684   -0.016421699780
    0.253449410527   -0.143310590640    0.074378797584    0.039891399602   -0.020703999723
    0.217412609030   -0.114231192539    0.056693698158    0.029912199702   -0.015504699793
    0.103432904296    0.067786295573   -0.062908297956   -0.038295699618    0.020703199723
    0.015062300626    0.398639573963   -0.354297488489   -0.219329897812    0.118493498415
    0.000679200028    0.492924367805   -0.534685882629   -0.351685996491    0.194562097397
   -0.000461000019    0.177566688402    0.009987699676    0.047500999526   -0.034721899536
    0.000418200017   -0.012096899210    0.747823875704    0.902009891000   -0.593491692061
   -0.000341600014    0.012183499204    0.479152984433    0.665169093363   -0.464319393789
    0.000250800010   -0.007298299523    0.066436797842   -0.687269893143    0.720896890357
   -0.000156600007    0.004189899726    0.000153099995   -0.844346091575    1.306204982527
    0.000081100003   -0.002084199864    0.000508399983   -0.138232098621   -0.469559093719
   -0.000036300002    0.000912199940   -0.000363299988   -0.000815499992   -1.129217584895
    0.000018900001   -0.000470999969    0.000108399996   -0.000877999991   -0.179478797599
   -0.000012100001    0.000301099980   -0.000065999998    0.000420399996    0.042374399433
    0.000003200000   -0.000079599995    0.000020599999   -0.000062999999   -0.008785699882
   -0.000000600000    0.000015799999   -0.000003700000    0.000014100000    0.001447099981
    0.000000200000   -0.000006100000    0.000001400000   -0.000005200000   -0.000544899993
   26    4
    1701.078460     442.548100     115.229254      24.267544
 487485600.000000000
  68680830.000000000
  13811438.000000000
   3416016.300000000
    981883.990000000
    316544.420000000
    112123.770000000
     42903.566000000
     17559.440000000
      7600.777800000
      3461.493100000
      1651.710200000
       822.570950000
       426.459010000
       227.716220000
       123.101400000
        68.712400000
        38.504653000
        21.160114000
        11.922490000
         6.513423400
         3.497926900
         1.808252200
         0.832980310
         0.375065130
         0.152458730
    0.000011100000   -0.000005900000   -0.000003200000   -0.000001600000
    0.000034700002   -0.000018700000   -0.000009999999   -0.000005000000
    0.000094100004   -0.000050699999   -0.000027099998   -0.000013600000
    0.000231300010   -0.000124699998   -0.000066699995   -0.000033500000
    0.000538900024   -0.000291099996   -0.000155899989   -0.000078300000
    0.001221100055   -0.000661699990   -0.000354599975   -0.000178200000
    0.002749300124   -0.001496799977   -0.000802999944   -0.000403800000
    0.006224300280   -0.003410499948   -0.001832599872   -0.000921500000
    0.014248400640   -0.007877599880   -0.004243099704   -0.002136200001
    0.032833801475   -0.018398299721   -0.009943299307   -0.005006500002
    0.073748903313   -0.042170999360   -0.022915798402   -0.011567800004
    0.152331106843   -0.089750298637   -0.049152396573   -0.024830400009
    0.262705111802   -0.160588197561   -0.088892793802   -0.045135700017
    0.329911114821   -0.201901896934   -0.111465192228   -0.056308000021
    0.250790211267   -0.074713498865   -0.023168598385   -0.009316300004
    0.085891303859    0.278450995772    0.245549582879    0.141409600053
    0.006663500299    0.504239092343    0.461594367815    0.265221000100
    0.001054400047    0.296821495493    0.106047092606    0.029263300011
   -0.000703100032    0.053171299193   -0.552240761495   -0.499814700188
    0.000357100016    0.000667399990   -0.544832062012   -0.526442300198
   -0.000209600009    0.000389899994   -0.129315290984    0.362364500136
    0.000120900005   -0.000314799995   -0.004087699715    0.716681100269
   -0.000051300002    0.000070499999   -0.001062699926    0.257281700097
    0.000020800001   -0.000032000000    0.000306399979    0.018754800007
   -0.000008000000    0.000012000000   -0.000103399993    0.000335000000
    0.000002000000   -0.000003200000    0.000021899998   -0.000041400000
   18    2
     351.726420      80.434030
     38539.209000000
      9643.175500000
      3322.818300000
      1364.511300000
       628.034950000
       312.704240000
       163.782200000
        88.714393000
        49.013840000
        27.359405000
        15.604610000
         9.041682500
         5.471879100
         3.711939700
         2.444130200
         1.396765300
         0.737192470
         0.308596830
    0.000157199999    0.000091600003
    0.000984899993    0.000575500019
    0.004851199964    0.002851700095
    0.019541699855    0.011573100385
    0.063120799533    0.037923201261
    0.158954998823    0.097053703228
    0.292762297832    0.177900505917
    0.356680697359    0.192210206393
    0.239239298229   -0.015579600518
    0.073202599458   -0.345345911486
    0.007227499946   -0.449866214962
    0.000616699995   -0.235295007826
   -0.000283299998   -0.049100401633
    0.000126199999   -0.008953600298
   -0.000094599999   -0.000590900020
    0.000003800000   -0.000347600012
   -0.000008500000    0.000029500001
   -0.000000500000   -0.000016600001
   13    1
      46.586706
      2109.103800000
       708.044950000
       300.167930000
       145.411380000
        75.355015000
        40.217323000
        21.415664000
        11.331146000
         5.843332900
         2.870490400
         1.329192600
         0.568353060
         0.213303510
   -0.000345499995
   -0.003074399958
   -0.016812899771
   -0.059813399185
   -0.155003597888
   -0.289585296053
   -0.369992694957
   -0.275058496251
   -0.093475898726
   -0.009595999869
   -0.000721899990
   -0.000222799997
   -0.000101199999
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Md.AE.Paulovic.35s26p18d13f.7s5p4d2f.101e-DK3-AE.                                     *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32917221D+13 0.30703300D+12 0.47335075D+11 0.95003180D+10 0.23723011D+10 0.69809748D+09
 0.23692564D+09 0.88088781D+08 0.31753670D+08 0.10955725D+08 0.37407172D+07 0.13078112D+07
 0.47719135D+06 0.18363421D+06 0.74948303D+05 0.32639666D+05 0.15088909D+05 0.72691230D+04
 0.35857010D+04 0.18008959D+04 0.92241675D+03 0.47279578D+03 0.24424262D+03 0.12110720D+03
 0.70363353D+02 0.39040334D+02 0.21309149D+02 0.12041802D+02 0.64453005D+01 0.33239890D+01
 0.13208815D+01 0.76624458D+00 0.35406889D+00 0.80536550D-01 0.31404444D-01
 0.0000044 -0.0000020  0.0000010  0.0000005 -0.0000003  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000166 -0.0000074  0.0000037  0.0000019 -0.0000010  0.0000005  0.0000001 0.0 0.0 0.0 0.0
 0.0000463 -0.0000206  0.0000102  0.0000054 -0.0000028  0.0000013  0.0000003 0.0 0.0 0.0 0.0
 0.0001104 -0.0000489  0.0000242  0.0000128 -0.0000066  0.0000030  0.0000008 0.0 0.0 0.0 0.0
 0.0002274 -0.0001005  0.0000496  0.0000263 -0.0000136  0.0000061  0.0000017 0.0 0.0 0.0 0.0
 0.0004285 -0.0001889  0.0000933  0.0000493 -0.0000256  0.0000115  0.0000032 0.0 0.0 0.0 0.0
 0.0007287 -0.0003207  0.0001583  0.0000838 -0.0000434  0.0000195  0.0000054 0.0 0.0 0.0 0.0
 0.0012951 -0.0005692  0.0002809  0.0001486 -0.0000769  0.0000346  0.0000095 0.0 0.0 0.0 0.0
 0.0025241 -0.0011083  0.0005470  0.0002894 -0.0001498  0.0000674  0.0000186 0.0 0.0 0.0 0.0
 0.0048908 -0.0021474  0.0010598  0.0005607 -0.0002903  0.0001305  0.0000360 0.0 0.0 0.0 0.0
 0.0091884 -0.0040402  0.0019946  0.0010554 -0.0005464  0.0002457  0.0000677 0.0 0.0 0.0 0.0
 0.0165587 -0.0073099  0.0036114  0.0019112 -0.0009896  0.0004450  0.0001227 0.0 0.0 0.0 0.0
 0.0286755 -0.0127557  0.0063112  0.0033413 -0.0017301  0.0007781  0.0002145 0.0 0.0 0.0 0.0
 0.0476856 -0.0214938  0.0106590  0.0056464 -0.0029244  0.0013153  0.0003625 0.0 0.0 0.0 0.0
 0.0757275 -0.0348423  0.0173481  0.0091997 -0.0047656  0.0021434  0.0005909 0.0 0.0 0.0 0.0
 0.1137778 -0.0540229  0.0270432  0.0143597 -0.0074430  0.0033484  0.0009228 0.0 0.0 0.0 0.0
 0.1628123 -0.0807984  0.0408228  0.0217330 -0.0112685  0.0050689  0.0013982 0.0 0.0 0.0 0.0
 0.2188165 -0.1157050  0.0590912  0.0315347 -0.0163737  0.0073703  0.0020295 0.0 0.0 0.0 0.0
 0.2553493 -0.1442710  0.0748535  0.0401437 -0.0208462  0.0093794  0.0025923 0.0 0.0 0.0 0.0
 0.2174565 -0.1143425  0.0567681  0.0299559 -0.0155337  0.0069938  0.0019109 0.0 0.0 0.0 0.0
 0.1018800  0.0688140 -0.0634809 -0.0386108  0.0208745 -0.0095030 -0.0025829 0.0 0.0 0.0 0.0
 0.0158995  0.3982073 -0.3541050 -0.2192448  0.1185224 -0.0538877 -0.0149772 0.0 0.0 0.0 0.0
 0.0000785  0.4930050 -0.5346134 -0.3516367  0.1946117 -0.0891107 -0.0244093 0.0 0.0 0.0 0.0
 0.0000894  0.1774062  0.0099592  0.0474325 -0.0346340  0.0170723  0.0041246 0.0 0.0 0.0 0.0
-0.0000953 -0.0119112  0.7478170  0.9021461 -0.5940442  0.2839629  0.0804641 0.0 0.0 0.0 0.0
 0.0000329  0.0120334  0.4791873  0.6652183 -0.4643414  0.2291437  0.0614241 0.0 0.0 0.0 0.0
-0.0000138 -0.0071860  0.0664161 -0.6875923  0.7210556 -0.3934620 -0.1068893 0.0 0.0 0.0 0.0
 0.0000122  0.0041149  0.0001702 -0.8440564  1.3075657 -0.8033082 -0.2403286 0.0 0.0 0.0 0.0
-0.0000055 -0.0020446  0.0004959 -0.1383302 -0.4700670  0.4617890  0.1526876 0.0 0.0 0.0 0.0
 0.0000017  0.0008946 -0.0003599 -0.0007943 -1.1317067  1.1573680  0.3536855 0.0 0.0 0.0 0.0
-0.0000010 -0.0004619  0.0001069 -0.0008720 -0.1770318 -0.1099773 -0.0090985 0.0 0.0 0.0 0.0
 0.0000007  0.0002951 -0.0000641  0.0004290  0.0420462 -0.9339902 -0.4923219 1.0 0.0 0.0 0.0
-0.0000002 -0.0000781  0.0000199 -0.0000648 -0.0085957 -0.3748092 -0.2563434 0.0 1.0 0.0 0.0
 0.0000000  0.0000155 -0.0000036  0.0000149  0.0014201 -0.0057312  0.7640069 0.0 0.0 1.0 0.0
 0.0000000 -0.0000060  0.0000014 -0.0000040 -0.0005324  0.0008326  0.4447396 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.49244770D+09 0.69077975D+08 0.13914203D+08 0.34403452D+07 0.98511268D+06 0.31715375D+06
 0.11216254D+06 0.42919584D+05 0.17552540D+05 0.76003792D+04 0.34614552D+04 0.16518078D+04
 0.82297839D+03 0.42625674D+03 0.22758476D+03 0.12322189D+03 0.68723558D+02 0.38447750D+02
 0.21141811D+02 0.11908036D+02 0.65050590D+01 0.34894081D+01 0.18006687D+01 0.83727531D+00
 0.37698652D+00 0.15388288D+00
 0.0000110 -0.0000059 -0.0000032 -0.0000016  0.0000006 0.0 0.0 0.0 0.0
 0.0000346 -0.0000186 -0.0000100 -0.0000050  0.0000020 0.0 0.0 0.0 0.0
 0.0000935 -0.0000503 -0.0000269 -0.0000135  0.0000053 0.0 0.0 0.0 0.0
 0.0002307 -0.0001243 -0.0000665 -0.0000335  0.0000131 0.0 0.0 0.0 0.0
 0.0005386 -0.0002910 -0.0001558 -0.0000784  0.0000308 0.0 0.0 0.0 0.0
 0.0012209 -0.0006617 -0.0003546 -0.0001784  0.0000700 0.0 0.0 0.0 0.0
 0.0027500 -0.0014972 -0.0008033 -0.0004043  0.0001588 0.0 0.0 0.0 0.0
 0.0062244 -0.0034104 -0.0018326 -0.0009225  0.0003622 0.0 0.0 0.0 0.0
 0.0142610 -0.0078849 -0.0042474 -0.0021407  0.0008411 0.0 0.0 0.0 0.0
 0.0328116 -0.0183848 -0.0099360 -0.0050083  0.0019665 0.0 0.0 0.0 0.0
 0.0737836 -0.0421942 -0.0229303 -0.0115880  0.0045568 0.0 0.0 0.0 0.0
 0.1521851 -0.0896539 -0.0490985 -0.0248298  0.0097536 0.0 0.0 0.0 0.0
 0.2627217 -0.1606228 -0.0889234 -0.0452022  0.0178104 0.0 0.0 0.0 0.0
 0.3304874 -0.2021606 -0.1115842 -0.0564250  0.0221265 0.0 0.0 0.0 0.0
 0.2502241 -0.0745646 -0.0231557 -0.0093333  0.0035739 0.0 0.0 0.0 0.0
 0.0859334  0.2777722  0.2450448  0.1412932 -0.0575626 0.0 0.0 0.0 0.0
 0.0067128  0.5056072  0.4626244  0.2660779 -0.1070388 0.0 0.0 0.0 0.0
 0.0010752  0.2966397  0.1054245  0.0288181 -0.0100140 0.0 0.0 0.0 0.0
-0.0007345  0.0526449 -0.5534362 -0.5014757  0.2290363 0.0 0.0 0.0 0.0
 0.0003824  0.0007895 -0.5440688 -0.5263112  0.2340386 0.0 0.0 0.0 0.0
-0.0002256  0.0003273 -0.1287529  0.3653743 -0.2423361 0.0 0.0 0.0 0.0
 0.0001301 -0.0002871 -0.0040553  0.7199282 -0.4995521 0.0 0.0 0.0 0.0
-0.0000562  0.0000606 -0.0010180  0.2530661 -0.0318779 1.0 0.0 0.0 0.0
 0.0000231 -0.0000277  0.0003093  0.0170697  0.5912113 0.0 1.0 0.0 0.0
-0.0000088  0.0000105 -0.0001010  0.0004225  0.5077949 0.0 0.0 1.0 0.0
 0.0000022 -0.0000028  0.0000217 -0.0001146  0.0937455 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.37290096D+05 0.96848315D+04 0.34092077D+04 0.14052059D+04 0.64047608D+03 0.31249184D+03
 0.16032262D+03 0.85855596D+02 0.47606048D+02 0.27960621D+02 0.16974633D+02 0.99647941D+01
 0.54102018D+01 0.27960257D+01 0.13372370D+01 0.49613532D+00 0.17069789D+00 0.52854833D-01
 0.0001617 -0.0000943  0.0000446 -0.0000092 0.0 0.0 0.0 0.0
 0.0009521 -0.0005560  0.0002627 -0.0000543 0.0 0.0 0.0 0.0
 0.0045846 -0.0026965  0.0012772 -0.0002626 0.0 0.0 0.0 0.0
 0.0186483 -0.0110323  0.0052298 -0.0010814 0.0 0.0 0.0 0.0
 0.0625277 -0.0375812  0.0178968 -0.0036820 0.0 0.0 0.0 0.0
 0.1644528 -0.1003116  0.0479108 -0.0099271 0.0 0.0 0.0 0.0
 0.3055808 -0.1858469  0.0888137 -0.0182299 0.0 0.0 0.0 0.0
 0.3589597 -0.1887794  0.0854865 -0.0177785 0.0 0.0 0.0 0.0
 0.2232962  0.0275378 -0.0405104  0.0101612 0.0 0.0 0.0 0.0
 0.0658921  0.2965951 -0.1945965  0.0403362 0.0 0.0 0.0 0.0
 0.0120877  0.4179377 -0.2759863  0.0630511 0.0 0.0 0.0 0.0
-0.0001837  0.2960530 -0.0602974  0.0016534 0.0 0.0 0.0 0.0
 0.0002972  0.0708635  0.4187721 -0.1072300 0.0 0.0 0.0 0.0
-0.0001969  0.0022710  0.5255144 -0.1463999 0.0 0.0 0.0 0.0
 0.0000373  0.0005344  0.2132842  0.0501254 1.0 0.0 0.0 0.0
-0.0000183 -0.0001057  0.0177645  0.3508428 0.0 1.0 0.0 0.0
 0.0000056  0.0000409 -0.0010256  0.5132530 0.0 0.0 1.0 0.0
-0.0000016 -0.0000124  0.0003512  0.3543599 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.20942251D+04 0.70674562D+03 0.30226969D+03 0.14611926D+03 0.75135078D+02 0.40016684D+02
 0.21379194D+02 0.11317389D+02 0.58024969D+01 0.28607483D+01 0.13462949D+01 0.59407939D+00
 0.23517659D+00
-0.0003516  0.0001347 0.0 0.0 0.0
-0.0030517  0.0011642 0.0 0.0 0.0
-0.0164843  0.0063462 0.0 0.0 0.0
-0.0599250  0.0230220 0.0 0.0 0.0
-0.1571108  0.0608995 0.0 0.0 0.0
-0.2897874  0.1074306 0.0 0.0 0.0
-0.3681807  0.1206545 0.0 0.0 0.0
-0.2758578  0.0049059 0.0 0.0 0.0
-0.0929808 -0.2432063 0.0 0.0 0.0
-0.0088172 -0.4015940 0.0 0.0 0.0
-0.0007908 -0.3557869 1.0 0.0 0.0
-0.0000770 -0.2005414 0.0 1.0 0.0
-0.0000880 -0.0575269 0.0 0.0 1.0
*
End

*
/No.ECP.Paulovic.14s10p12d9f.2s1p2d1f.34e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on NoQR(3H)
*
 34.000000         3

* S-type functions
   14    6
  25781606.649999999
   2085498.924000000
    216370.369300000
     31455.146360000
      5737.530416000
       374.644202200
        62.165712780
        15.521327680
         4.016179900
         2.842067852
         0.868378015
         0.420840258
         0.092408580
         0.033687476
     -0.000189570010     -0.000052001151 0.0 0.0 0.0 0.0
     -0.000787066170     -0.000215904010 0.0 0.0 0.0 0.0
     -0.002710798100     -0.000743595950 0.0 0.0 0.0 0.0
     -0.007775795900     -0.002133220700 0.0 0.0 0.0 0.0
     -0.018557810000     -0.005090398400 0.0 0.0 0.0 0.0
      0.119982570000      0.032979278000 0.0 0.0 0.0 0.0
     -0.408806370000     -0.113394170000 0.0 0.0 0.0 0.0
      0.910711980000      0.260195530000 0.0 0.0 0.0 0.0
     -1.187575700000     -0.380041840000 0.0 0.0 0.0 0.0
     -0.211474040000     -0.058984787000 0.0 0.0 0.0 0.0
      0.877809900000      0.384992030000 1.0 0.0 0.0 0.0
      0.502350590000      0.379414600000 0.0 1.0 0.0 0.0
      0.018642134000     -0.688373490000 0.0 0.0 1.0 0.0
     -0.004359574300     -0.536703510000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     13357.398930000
      2460.637484000
       664.140377800
        86.855326580
        17.616303630
         4.793898323
         3.209213866
         0.833118011
         0.375733832
         0.152102644
      0.002533528400 0.0 0.0 0.0 0.0
      0.012659053000 0.0 0.0 0.0 0.0
      0.035990851000 0.0 0.0 0.0 0.0
     -0.143857150000 0.0 0.0 0.0 0.0
      0.360847710000 0.0 0.0 0.0 0.0
     -0.366964640000 0.0 0.0 0.0 0.0
     -0.309036980000 1.0 0.0 0.0 0.0
      0.600374640000 0.0 1.0 0.0 0.0
      0.490066690000 0.0 0.0 1.0 0.0
      0.087635607000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1375.890601000
       380.530011800
       136.297158000
        25.199546080
        12.515908470
         6.069948451
         3.132189694
         1.582109426
         0.749783475
         0.312655083
         0.115463171
         0.039494087
      0.010344458000     -0.002065464300 0.0 0.0 0.0 0.0
      0.061749151000     -0.012454003000 0.0 0.0 0.0 0.0
      0.145948460000     -0.028953065000 0.0 0.0 0.0 0.0
     -0.350545150000      0.075885545000 0.0 0.0 0.0 0.0
     -0.219827450000      0.040505139000 0.0 0.0 0.0 0.0
      0.383520040000     -0.101935350000 0.0 0.0 0.0 0.0
      0.531933200000     -0.136994440000 0.0 0.0 0.0 0.0
      0.245426200000     -0.009335642600 0.0 0.0 0.0 0.0
      0.038588050000      0.193399040000 1.0 0.0 0.0 0.0
      0.001326621100      0.394789280000 0.0 1.0 0.0 0.0
      0.000169456000      0.448980900000 0.0 0.0 1.0 0.0
     -0.000022381056      0.237406340000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       418.340452000
       140.240145400
        57.143164440
        25.008693610
         5.540726444
         2.658955889
         1.253266700
         0.564238936
         0.228564859
     -0.005566766400 0.0 0.0 0.0
     -0.037060213000 0.0 0.0 0.0
     -0.115100690000 0.0 0.0 0.0
     -0.161092000000 0.0 0.0 0.0
      0.293621140000 0.0 0.0 0.0
      0.410637080000 0.0 0.0 0.0
      0.325188930000 1.0 0.0 0.0
      0.172005960000 0.0 1.0 0.0
      0.046870260000 0.0 0.0 1.0

*
* Core AIMP:No DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    724687.800000000
    186622.779000000
     66170.107300000
     25238.596200000
     10023.206400000
      4032.915070000
      1712.768760000
       811.694078000
       305.030999000
       156.650802000
        32.287634100
        16.782371700
         7.304839460
         3.884676940
      0.028332817527
      0.020556610663
      0.030184526373
      0.041905456460
      0.053552756118
      0.072063409321
      0.123729250968
      0.145560183511
      0.124942254465
      0.388587016255
      0.577231098649
      0.151451293783
      0.209184814225
      0.032718511683
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   11083.129000    2172.649800     572.787660     157.851258      37.774620
 3248984200000.000000000
  304197620000.000000000
   45797007000.000000000
    9017584600.000000000
    2217541500.000000000
     665488300.000000000
     235112090.000000000
      93565629.000000000
      34428209.000000000
      11470997.000000000
       3800047.000000000
       1303436.800000000
        470673.720000000
        180448.470000000
         74289.263000000
         32768.456000000
         15141.261000000
          7241.479200000
          3585.956500000
          1812.279300000
           918.433750000
           471.846910000
           245.874040000
           121.001480000
            70.281008000
            38.977150000
            21.318029000
            12.028101000
             6.415481700
             3.346142700
             1.320774400
             0.766401800
             0.360744580
             0.080611525
             0.031110764
    0.000004900000   -0.000002200000    0.000001100000    0.000000600000   -0.000000300000
    0.000018600001   -0.000008300001    0.000004100000    0.000002200000   -0.000001100000
    0.000052400002   -0.000023400003    0.000011600001    0.000006200000   -0.000003200000
    0.000125700005   -0.000056000007    0.000027700001    0.000014700000   -0.000007599999
    0.000256200009   -0.000113900015    0.000056300003    0.000029900000   -0.000015499999
    0.000461400017   -0.000204700026    0.000101200005    0.000053600000   -0.000027899998
    0.000741600027   -0.000328400042    0.000162300008    0.000086000000   -0.000044699996
    0.001250200046   -0.000553000071    0.000273200013    0.000144800001   -0.000075199994
    0.002605100095   -0.001151200147    0.000568700027    0.000301400001   -0.000156599988
    0.005211700190   -0.002302800294    0.001137600055    0.000603000002   -0.000313199975
    0.009806000358   -0.004339000554    0.002144300103    0.001136600004   -0.000590399953
    0.017639300644   -0.007836501000    0.003875600186    0.002054600008   -0.001067399915
    0.030403601111   -0.013612701738    0.006742400323    0.003575900014   -0.001857799852
    0.049941801824   -0.022663602893    0.011251900539    0.005971100024   -0.003102999752
    0.077340102825   -0.035828704574    0.017859900856    0.009488000037   -0.004931099606
    0.115399604216   -0.055152807041    0.027640801325    0.014703700058   -0.007647999390
    0.167264406110   -0.083541110665    0.042254302025    0.022534300089   -0.011720199065
    0.222226908118   -0.118237215095    0.060458802898    0.032326000127   -0.016849698655
    0.251166809175   -0.142029718132    0.073668203531    0.039558100156   -0.020586898357
    0.213540707801   -0.108786113888    0.053284902554    0.028049400110   -0.014626298833
    0.098404903595    0.085040010857   -0.076053003646   -0.046217400182    0.025155097992
    0.012678200463    0.407864452070   -0.366349517561   -0.227833600897    0.123445890147
    0.001017100037    0.479299661190   -0.521084024978   -0.344163701355    0.191936484681
   -0.000777600028    0.170714221794    0.050409102416    0.086826200342   -0.061040595128
    0.000703500026   -0.018005602299    0.761326136495    0.932464503670   -0.615439050880
   -0.000543800020    0.015041801920    0.445618221361    0.604437302379   -0.430433565646
    0.000392000014   -0.009364701196    0.058299302795   -0.751847402959    0.821169634460
   -0.000245300009    0.005505700703   -0.001063000051   -0.803201403161    1.249587900267
    0.000127700005   -0.002792100356    0.001073900051   -0.114610500451   -0.577052353944
   -0.000057300002    0.001240500158   -0.000648700031   -0.001144200005   -1.074120814272
    0.000029500001   -0.000636000081    0.000273700013   -0.000358400001   -0.159640087259
   -0.000019200001    0.000412600053   -0.000176400008    0.000096400000    0.040052996803
    0.000005100000   -0.000110900014    0.000050800002    0.000020400000   -0.008513299321
   -0.000001000000    0.000020900003   -0.000009300000   -0.000003100000    0.001339399893
    0.000000400000   -0.000008000001    0.000003600000    0.000001500000   -0.000502899960
   26    4
    1743.281100     455.052980     119.011414      25.103080
 480367830.000000000
  67913052.000000000
  13747703.000000000
   3375898.700000000
    966697.860000000
    314081.910000000
    112045.260000000
     42893.582000000
     17545.411000000
      7609.636200000
      3461.227000000
      1649.786900000
       823.077480000
       426.582980000
       227.126430000
       122.977520000
        68.659038000
        38.491088000
        21.202050000
        11.948102000
         6.574279800
         3.496542700
         1.777609700
         0.828035440
         0.373027440
         0.150228280
    0.000011899999   -0.000006400000   -0.000003400000   -0.000001700000
    0.000036999997   -0.000019900000   -0.000010699999   -0.000005400000
    0.000099999991   -0.000053899999   -0.000028899998   -0.000014600000
    0.000248199977   -0.000133999997   -0.000071899996   -0.000036300001
    0.000573699947   -0.000310499993   -0.000166699991   -0.000084100002
    0.001281599882   -0.000695999985   -0.000373899979   -0.000188700005
    0.002876999734   -0.001569699967   -0.000844299953   -0.000426300010
    0.006529499397   -0.003585499924   -0.001931599894   -0.000975300024
    0.014856798628   -0.008234099826   -0.004447299755   -0.002248200054
    0.034058096854   -0.019131899596   -0.010366999429   -0.005241600127
    0.076543192929   -0.043899399072   -0.023925298681   -0.012128300293
    0.156495685543   -0.092470598046   -0.050779797201   -0.025760900623
    0.266418975388   -0.163328296548   -0.090693695000   -0.046247801119
    0.331226269401   -0.201749395736   -0.111325193863   -0.056419501365
    0.244743477390   -0.063282298663   -0.015064399170   -0.004910800119
    0.079313392673    0.296516193733    0.262054485554    0.151697503669
    0.006203899427    0.502924589371    0.460870674594    0.265718906427
    0.000627999942    0.282045894039    0.076567595779    0.008653000209
   -0.000431099960    0.047350398999   -0.575127268295   -0.527319012754
    0.000179499983    0.000672899986   -0.524206171102   -0.503415012176
   -0.000100799991    0.000206299996   -0.115948093608    0.409844309913
    0.000060299994   -0.000224599995   -0.004579199748    0.713683617262
   -0.000023999998    0.000035899999   -0.000493799973    0.229327505547
    0.000010199999   -0.000018300000    0.000111099994    0.013186000319
   -0.000003900000    0.000006700000   -0.000030899998    0.001009200024
    0.000001000000   -0.000001800000    0.000003600000   -0.000208700005
   18    2
     361.441280      83.161280
     36197.145000000
      9068.208300000
      3148.022100000
      1293.901600000
       591.476390000
       291.340830000
       151.770630000
        83.258294000
        47.915869000
        28.754443000
        17.661784000
        10.635773000
         6.160491000
         3.743762500
         2.401306300
         1.383730200
         0.652823760
         0.134451440
    0.000182900024   -0.000107000000
    0.001141000148   -0.000669300001
    0.005569000720   -0.003289900007
    0.022470402907   -0.013367500028
    0.073124109459   -0.044225000094
    0.181655023498   -0.111409800236
    0.313709640580   -0.190486200403
    0.337872843705   -0.171942000364
    0.202458726189    0.038848300082
    0.067753308764    0.286368200606
    0.010317901335    0.409971400868
    0.001141100148    0.290044400614
   -0.000357800046    0.084913200180
    0.000192600025    0.006072100013
   -0.000163500021    0.002158400005
    0.000028900004   -0.000178900000
   -0.000012900002    0.000085500000
    0.000000400000   -0.000002700000
   13    1
      48.578518
      2116.873100000
       709.229860000
       300.516770000
       143.779180000
        73.806840000
        39.667554000
        21.672925000
        11.902688000
         6.412562500
         3.302590800
         1.589210600
         0.686353960
         0.253113250
   -0.000369800008
   -0.003255200068
   -0.017966700376
   -0.065486501369
   -0.166392803480
   -0.291099006087
   -0.352126407364
   -0.262012805479
   -0.099016302071
   -0.013151400275
   -0.000421000009
   -0.000019900000
   -0.000001500000
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   No.AE.Paulovic.35s26p18d13f.7s5p4d2f.102e-DK3-AE.                                     *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.32503072D+13 0.30704740D+12 0.46420934D+11 0.92157297D+10 0.22918869D+10 0.67663057D+09
 0.23790822D+09 0.93251747D+08 0.33395697D+08 0.11255529D+08 0.37971492D+07 0.13100775D+07
 0.47213093D+06 0.18130382D+06 0.74646586D+05 0.32760984D+05 0.15149970D+05 0.72607722D+04
 0.35790535D+04 0.18057999D+04 0.92111242D+03 0.47163227D+03 0.24372830D+03 0.12059203D+03
 0.70152383D+02 0.39139836D+02 0.21251514D+02 0.12029575D+02 0.64464654D+01 0.33152822D+01
 0.13172824D+01 0.74322266D+00 0.37729556D+00 0.80627328D-01 0.29749323D-01
 0.0000049 -0.0000022  0.0000011  0.0000006 -0.0000003  0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000184 -0.0000083  0.0000041  0.0000022 -0.0000011  0.0000005  0.0000001 0.0 0.0 0.0 0.0
 0.0000518 -0.0000232  0.0000115  0.0000061 -0.0000032  0.0000014  0.0000004 0.0 0.0 0.0 0.0
 0.0001228 -0.0000548  0.0000271  0.0000144 -0.0000075  0.0000034  0.0000009 0.0 0.0 0.0 0.0
 0.0002515 -0.0001118  0.0000553  0.0000293 -0.0000152  0.0000069  0.0000019 0.0 0.0 0.0 0.0
 0.0004646 -0.0002061  0.0001019  0.0000540 -0.0000281  0.0000126  0.0000035 0.0 0.0 0.0 0.0
 0.0007330 -0.0003246  0.0001604  0.0000850 -0.0000442  0.0000199  0.0000055 0.0 0.0 0.0 0.0
 0.0013020 -0.0005759  0.0002845  0.0001508 -0.0000784  0.0000353  0.0000097 0.0 0.0 0.0 0.0
 0.0026669 -0.0011785  0.0005822  0.0003086 -0.0001604  0.0000722  0.0000198 0.0 0.0 0.0 0.0
 0.0051728 -0.0022856  0.0011291  0.0005985 -0.0003110  0.0001400  0.0000384 0.0 0.0 0.0 0.0
 0.0096946 -0.0042896  0.0021199  0.0011237 -0.0005840  0.0002629  0.0000721 0.0 0.0 0.0 0.0
 0.0175922 -0.0078153  0.0038650  0.0020491 -0.0010651  0.0004795  0.0001315 0.0 0.0 0.0 0.0
 0.0303795 -0.0136015  0.0067369  0.0035731 -0.0018573  0.0008362  0.0002293 0.0 0.0 0.0 0.0
 0.0496474 -0.0225278  0.0111840  0.0059353 -0.0030859  0.0013896  0.0003809 0.0 0.0 0.0 0.0
 0.0774639 -0.0358815  0.0178865  0.0095027 -0.0049415  0.0022249  0.0006100 0.0 0.0 0.0 0.0
 0.1159281 -0.0554034  0.0277641  0.0147695 -0.0076853  0.0034618  0.0009489 0.0 0.0 0.0 0.0
 0.1663429 -0.0830832  0.0420294  0.0224166 -0.0116676  0.0052534  0.0014408 0.0 0.0 0.0 0.0
 0.2225074 -0.1183402  0.0604903  0.0323405 -0.0168585  0.0076003  0.0020822 0.0 0.0 0.0 0.0
 0.2531402 -0.1431854  0.0743129  0.0399150 -0.0208019  0.0093623  0.0025717 0.0 0.0 0.0 0.0
 0.2121552 -0.1078709  0.0526791  0.0276990 -0.0144080  0.0065104  0.0017719 0.0 0.0 0.0 0.0
 0.0977625  0.0838532 -0.0747917 -0.0454172  0.0246408 -0.0112668 -0.0030615 0.0 0.0 0.0 0.0
 0.0133816  0.4129214 -0.3714386 -0.2310897  0.1254995 -0.0570557 -0.0157482 0.0 0.0 0.0 0.0
 0.0006279  0.4807220 -0.5231927 -0.3457708  0.1925406 -0.0885138 -0.0241501 0.0 0.0 0.0 0.0
-0.0004761  0.1625286  0.0636668  0.0970080 -0.0658351  0.0324011  0.0084293 0.0 0.0 0.0 0.0
 0.0004345 -0.0130747  0.7503377  0.9242721 -0.6137226  0.2929703  0.0823414 0.0 0.0 0.0 0.0
-0.0003485  0.0114696  0.4489797  0.6022147 -0.4228186  0.2119354  0.0567059 0.0 0.0 0.0 0.0
 0.0002534 -0.0067991  0.0586403 -0.7502594  0.8114323 -0.4521320 -0.1237376 0.0 0.0 0.0 0.0
-0.0001593  0.0039185 -0.0007897 -0.7986773  1.2623177 -0.7746609 -0.2299136 0.0 0.0 0.0 0.0
 0.0000821 -0.0019365  0.0007138 -0.1163456 -0.5959576  0.5623374  0.1808766 0.0 0.0 0.0 0.0
-0.0000364  0.0008432 -0.0004453 -0.0011118 -1.0741512  1.1231518  0.3438326 0.0 0.0 0.0 0.0
 0.0000189 -0.0004328  0.0001594 -0.0004443 -0.1435459 -0.2780957 -0.0772231 0.0 0.0 0.0 0.0
-0.0000127  0.0002896 -0.0001014  0.0001795  0.0330773 -0.8165460 -0.4462779 1.0 0.0 0.0 0.0
 0.0000038 -0.0000880  0.0000345 -0.0000118 -0.0076980 -0.3596484 -0.2378735 0.0 1.0 0.0 0.0
-0.0000006  0.0000138 -0.0000051  0.0000022  0.0009409 -0.0117969  0.8043666 0.0 0.0 1.0 0.0
 0.0000002 -0.0000050  0.0000015  0.0000014 -0.0003436  0.0030539  0.3998209 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.48922621D+09 0.69138321D+08 0.13882200D+08 0.34335839D+07 0.98528736D+06 0.31533047D+06
 0.11178379D+06 0.42963892D+05 0.17554823D+05 0.75979584D+04 0.34618424D+04 0.16519877D+04
 0.82271907D+03 0.42670881D+03 0.22793818D+03 0.12309208D+03 0.68710742D+02 0.38524172D+02
 0.21164055D+02 0.11915568D+02 0.65183203D+01 0.34824766D+01 0.17809756D+01 0.83460978D+00
 0.38285384D+00 0.15590927D+00
 0.0000117 -0.0000063 -0.0000034 -0.0000017  0.0000007 0.0 0.0 0.0 0.0
 0.0000366 -0.0000197 -0.0000106 -0.0000053  0.0000021 0.0 0.0 0.0 0.0
 0.0000993 -0.0000536 -0.0000287 -0.0000145  0.0000057 0.0 0.0 0.0 0.0
 0.0002433 -0.0001314 -0.0000705 -0.0000356  0.0000139 0.0 0.0 0.0 0.0
 0.0005695 -0.0003082 -0.0001654 -0.0000836  0.0000327 0.0 0.0 0.0 0.0
 0.0012951 -0.0007033 -0.0003778 -0.0001909  0.0000747 0.0 0.0 0.0 0.0
 0.0028770 -0.0015696 -0.0008443 -0.0004268  0.0001672 0.0 0.0 0.0 0.0
 0.0065026 -0.0035709 -0.0019239 -0.0009724  0.0003808 0.0 0.0 0.0 0.0
 0.0149031 -0.0082589 -0.0044606 -0.0022575  0.0008847 0.0 0.0 0.0 0.0
 0.0341183 -0.0191687 -0.0103884 -0.0052581  0.0020590 0.0 0.0 0.0 0.0
 0.0762714 -0.0437359 -0.0238342 -0.0120960  0.0047448 0.0 0.0 0.0 0.0
 0.1564706 -0.0924719 -0.0507905 -0.0257930  0.0101040 0.0 0.0 0.0 0.0
 0.2670609 -0.1636562 -0.0908537 -0.0463850  0.0182343 0.0 0.0 0.0 0.0
 0.3297160 -0.2010655 -0.1110358 -0.0563245  0.0220103 0.0 0.0 0.0 0.0
 0.2448002 -0.0637832 -0.0153782 -0.0051333  0.0019196 0.0 0.0 0.0 0.0
 0.0806922  0.2958357  0.2614697  0.1516514 -0.0617066 0.0 0.0 0.0 0.0
 0.0056060  0.5030228  0.4614336  0.2661437 -0.1066024 0.0 0.0 0.0 0.0
 0.0010319  0.2825599  0.0760895  0.0087832 -0.0018311 0.0 0.0 0.0 0.0
-0.0007020  0.0476326 -0.5771673 -0.5315306  0.2434996 0.0 0.0 0.0 0.0
 0.0003592  0.0004143 -0.5236483 -0.4990565  0.2182827 0.0 0.0 0.0 0.0
-0.0002063  0.0003173 -0.1146014  0.4167443 -0.2713523 0.0 0.0 0.0 0.0
 0.0001178 -0.0002830 -0.0036123  0.7091672 -0.4941608 0.0 0.0 0.0 0.0
-0.0000512  0.0000647 -0.0007550  0.2260992  0.0131010 1.0 0.0 0.0 0.0
 0.0000218 -0.0000298  0.0002271  0.0127572  0.5891186 0.0 1.0 0.0 0.0
-0.0000084  0.0000114 -0.0000729  0.0008294  0.4890408 0.0 0.0 1.0 0.0
 0.0000021 -0.0000029  0.0000140 -0.0002097  0.0928143 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.40156996D+05 0.98904784D+04 0.33478034D+04 0.13494748D+04 0.60858649D+03 0.29676672D+03
 0.15263982D+03 0.81721022D+02 0.44608885D+02 0.24372664D+02 0.13488110D+02 0.73623153D+01
 0.38894360D+01 0.19633643D+01 0.91125357D+00 0.35683116D+00 0.12874681D+00 0.42977166D-01
 0.0001574  0.0000921  0.0000438 -0.0000088 0.0 0.0 0.0 0.0
 0.0010105  0.0005926  0.0002815 -0.0000564 0.0 0.0 0.0 0.0
 0.0051252  0.0030263  0.0014423 -0.0002886 0.0 0.0 0.0 0.0
 0.0213208  0.0126789  0.0060424 -0.0012107 0.0 0.0 0.0 0.0
 0.0709666  0.0428855  0.0205618 -0.0041173 0.0 0.0 0.0 0.0
 0.1802661  0.1105563  0.0530737 -0.0106505 0.0 0.0 0.0 0.0
 0.3208384  0.1948720  0.0936980 -0.0187543 0.0 0.0 0.0 0.0
 0.3567799  0.1786893  0.0789101 -0.0156536 0.0 0.0 0.0 0.0
 0.2079944 -0.0867762 -0.0761043  0.0166545 0.0 0.0 0.0 0.0
 0.0498188 -0.4285885 -0.2858164  0.0599683 0.0 0.0 0.0 0.0
 0.0027091 -0.4370298 -0.2494355  0.0510817 0.0 0.0 0.0 0.0
 0.0002878 -0.1580385  0.2209812 -0.0634683 0.0 0.0 0.0 0.0
-0.0001867 -0.0149559  0.5496505 -0.1403175 0.0 0.0 0.0 0.0
 0.0000195 -0.0007406  0.3582655 -0.0681334 0.0 0.0 0.0 0.0
-0.0000247  0.0000554  0.0751407  0.1598434 1.0 0.0 0.0 0.0
 0.0000050 -0.0000420  0.0023486  0.3925742 0.0 1.0 0.0 0.0
-0.0000022  0.0000146  0.0003600  0.4655798 0.0 0.0 1.0 0.0
 0.0000007 -0.0000041 -0.0000792  0.2749113 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.22606026D+04 0.74375048D+03 0.31367655D+03 0.15024681D+03 0.76375059D+02 0.40147719D+02
 0.21332924D+02 0.11378221D+02 0.59782044D+01 0.30241753D+01 0.14583418D+01 0.65425951D+00
 0.25694188D+00
-0.0003238  0.0001257 0.0 0.0 0.0
-0.0029567  0.0011457 0.0 0.0 0.0
-0.0163881  0.0063953 0.0 0.0 0.0
-0.0608275  0.0237399 0.0 0.0 0.0
-0.1633200  0.0641487 0.0 0.0 0.0
-0.3010034  0.1130760 0.0 0.0 0.0
-0.3687659  0.1200808 0.0 0.0 0.0
-0.2613827 -0.0046839 0.0 0.0 0.0
-0.0867244 -0.2412358 0.0 0.0 0.0
-0.0097111 -0.3886597 0.0 0.0 0.0
-0.0006875 -0.3509497 1.0 0.0 0.0
-0.0002648 -0.2084718 0.0 1.0 0.0
-0.0000804 -0.0635180 0.0 0.0 1.0
*
End

*
/Lr.ECP.Paulovic.14s10p12d9f.2s1p2d1f.35e-DK3-AIMP.
J. Paulovic, T. Nakajima, K. Hirao and L. Seijo, submitted.
J. Chem. Phys., 117 (2002) 3597.
*
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on LrQR(2D)
*
 35.000000         3

* S-type functions
   14    6
  24785595.100000001
   2085284.187000000
    222020.075800000
     32085.882120000
      5805.093575000
       390.210763900
        63.864784650
        16.118986220
         4.253836317
         3.193107557
         0.882889202
         0.416992548
         0.084825702
         0.031844534
     -0.000204774430     -0.000055798171 0.0 0.0 0.0 0.0
     -0.000820340830     -0.000223534580 0.0 0.0 0.0 0.0
     -0.002780145600     -0.000757543880 0.0 0.0 0.0 0.0
     -0.008010977500     -0.002183118900 0.0 0.0 0.0 0.0
     -0.018465254000     -0.005031241900 0.0 0.0 0.0 0.0
      0.119528640000      0.032633101000 0.0 0.0 0.0 0.0
     -0.411703550000     -0.113406300000 0.0 0.0 0.0 0.0
      0.916428530000      0.259670930000 0.0 0.0 0.0 0.0
     -1.070507200000     -0.332654670000 0.0 0.0 0.0 0.0
     -0.324465630000     -0.105671580000 0.0 0.0 0.0 0.0
      0.918047310000      0.423018350000 1.0 0.0 0.0 0.0
      0.461210800000      0.324046740000 0.0 1.0 0.0 0.0
      0.013805100000     -0.779751010000 0.0 0.0 1.0 0.0
     -0.003548813900     -0.427592770000 0.0 0.0 0.0 1.0
* P-type functions
   10    5
     13572.963300000
      2496.321034000
       676.122576000
        89.408862900
        18.140879790
         5.089825466
         3.467986811
         0.852097943
         0.383863389
         0.152413873
      0.002585251000 0.0 0.0 0.0 0.0
      0.012811697000 0.0 0.0 0.0 0.0
      0.035680780000 0.0 0.0 0.0 0.0
     -0.143230350000 0.0 0.0 0.0 0.0
      0.359772970000 0.0 0.0 0.0 0.0
     -0.317469060000 0.0 0.0 0.0 0.0
     -0.350295250000 1.0 0.0 0.0 0.0
      0.601654810000 0.0 1.0 0.0 0.0
      0.487434560000 0.0 0.0 1.0 0.0
      0.085387816000 0.0 0.0 0.0 1.0
* D-type functions
   12    6
      1402.843852000
       387.729576900
       139.076103500
        26.379817140
        14.140745930
         6.168579381
         3.425144229
         1.724924759
         0.744229068
         0.259518274
         0.084568729
         0.030842047
      0.010566552000     -0.002047937700 0.0 0.0 0.0 0.0
      0.062759235000     -0.012281029000 0.0 0.0 0.0 0.0
      0.146933030000     -0.028294622000 0.0 0.0 0.0 0.0
     -0.330890350000      0.069906067000 0.0 0.0 0.0 0.0
     -0.217827330000      0.039249455000 0.0 0.0 0.0 0.0
      0.336120860000     -0.091551538000 0.0 0.0 0.0 0.0
      0.513238900000     -0.123075990000 0.0 0.0 0.0 0.0
      0.286288660000     -0.029665247000 0.0 0.0 0.0 0.0
      0.040459010000      0.237601050000 1.0 0.0 0.0 0.0
      0.000121590280      0.474746440000 0.0 1.0 0.0 0.0
      0.000319302990      0.430534900000 0.0 0.0 1.0 0.0
     -0.000099868310      0.148364830000 0.0 0.0 0.0 1.0
* F-type functions
    9    4
       432.020546300
       144.825277100
        59.057595120
        25.889398830
         5.776437727
         2.784281592
         1.315530332
         0.592266252
         0.239410697
     -0.005585067000 0.0 0.0 0.0
     -0.037267197000 0.0 0.0 0.0
     -0.116157330000 0.0 0.0 0.0
     -0.163133280000 0.0 0.0 0.0
      0.294781790000 0.0 0.0 0.0
      0.409861750000 0.0 0.0 0.0
      0.324440100000 1.0 0.0 0.0
      0.171422840000 0.0 1.0 0.0
      0.046378945000 0.0 0.0 1.0
*
* Core AIMP:Lr DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
*
M1
  14
    725016.070000000
    186757.812000000
     66346.462300000
     25435.598100000
     10171.198800000
      4112.262100000
      1752.307380000
       831.555912000
       312.735599000
       161.041264000
        33.213996600
        17.147478900
         7.553692600
         4.038079300
      0.028072645822
      0.020300710102
      0.029599117989
      0.040670741276
      0.051739707739
      0.070121436343
      0.120483056310
      0.140555004711
      0.121510085524
      0.376973915089
      0.563757905247
      0.144769167722
      0.202771437510
      0.031532211473
M2
    0
COREREP
  1.0
PROJOP
    3
   35    5
   11366.933200    2237.613200     591.670360     164.053774      39.765594
 3967444900000.000000000
  309984460000.000000000
   44219987000.000000000
    8664208900.000000000
    2190531200.000000000
     652910030.000000000
     231719300.000000000
      95239269.000000000
      35362672.000000000
      11834136.000000000
       3867554.900000000
       1303302.500000000
        464607.240000000
        178507.680000000
         74219.301000000
         32794.928000000
         15070.360000000
          7219.956800000
          3605.183800000
          1813.683800000
           903.441980000
           468.139000000
           245.413200000
           115.801650000
            69.777657000
            39.119662000
            20.896731000
            12.138201000
             6.376537100
             3.335314600
             1.340530800
             0.722856880
             0.362479740
             0.085177924
             0.031672413
    0.000005100000   -0.000002300000    0.000001100000    0.000000600000   -0.000000300000
    0.000021199998   -0.000009600000    0.000004800000    0.000002500000   -0.000001300000
    0.000059499994   -0.000026799999    0.000013300000    0.000007100000   -0.000003700000
    0.000138299987   -0.000062099999    0.000030699999    0.000016299999   -0.000008500000
    0.000275799973   -0.000123399997    0.000061099999    0.000032399998   -0.000016900000
    0.000509799951   -0.000227699995    0.000112599997    0.000059799997   -0.000031200001
    0.000775999925   -0.000345899993    0.000171099996    0.000090899996   -0.000047400001
    0.001295199875   -0.000576699988    0.000285199993    0.000151399993   -0.000079000002
    0.002705599739   -0.001203399975    0.000595099986    0.000315999984   -0.000164800004
    0.005441599475   -0.002419799949    0.001196599972    0.000635299969   -0.000331400008
    0.010396198998   -0.004629399903    0.002290099946    0.001216099940   -0.000634300015
    0.018797498188   -0.008404399824    0.004160399903    0.002209499891   -0.001152700027
    0.032174496898   -0.014500799696    0.007190199832    0.003820399811   -0.001993200047
    0.051667995018   -0.023603299505    0.011729599725    0.006235299692   -0.003253800077
    0.079184092365   -0.036931599225    0.018433799568    0.009812599515   -0.005121800121
    0.118941388532   -0.057213598800    0.028693699328    0.015285899245   -0.007982800189
    0.171699083445   -0.086385198188    0.043778198975    0.023406098844   -0.012229600289
    0.222018678593   -0.118716697510    0.060674998579    0.032456798397   -0.016978000401
    0.248420176048   -0.140679197050    0.073148298287    0.039437998052   -0.020636500488
    0.212619079500   -0.103280497834    0.049048898851    0.025431298744   -0.013227200313
    0.092643691067    0.106235197772   -0.091366897860   -0.054962097285    0.029857200705
    0.009417799092    0.416154491272   -0.381419491067   -0.239726188157    0.130932003093
    0.001611599845    0.469781690148   -0.503239988214   -0.330749783660    0.184787104366
   -0.001331099872    0.164411196552    0.114504097318    0.146454492765   -0.098225102321
    0.001259899879   -0.035423899257    0.747545382493    0.945528253287   -0.632890214953
   -0.000882099915    0.022060799537    0.417059790233    0.513450974634   -0.359490008493
    0.000621699940   -0.013687099713    0.051535298793   -0.801527960401    0.903303821342
   -0.000399299962    0.008379399824   -0.002938999931   -0.732930063790    1.156594027326
    0.000196299981   -0.004033699915    0.001439999966   -0.114395194348   -0.666840715755
   -0.000088399991    0.001805699962   -0.000768299982    0.006318599688   -1.019181024080
    0.000042199996   -0.000860199982    0.000308099993   -0.003525799826   -0.119557202825
   -0.000027099997    0.000551999988   -0.000193399995    0.002163899893    0.023165800547
    0.000008799999   -0.000180299996    0.000065899998   -0.000670499967   -0.005711000135
   -0.000001600000    0.000032299999   -0.000011600000    0.000122399994    0.000790000019
    0.000000600000   -0.000011500000    0.000004200000   -0.000043799998   -0.000274100006
   26    4
    1786.647760     468.306240     123.395540      26.470290
 370823890.000000000
  55960854.000000000
  12078576.000000000
   3116104.500000000
    306639.620000000
    920718.160000000
    111343.650000000
     43139.101000000
     17688.129000000
      7644.476600000
      3468.454800000
      1647.573700000
       817.378330000
       422.576610000
       225.985360000
       124.109790000
        70.043697000
        39.661712000
        21.342733000
        11.896995000
         6.462284900
         3.413323100
         1.705264200
         0.826600410
         0.386748330
         0.162218060
    0.000014900001   -0.000008000000   -0.000004300000   -0.000002200000
    0.000043200002   -0.000023300001   -0.000012500000   -0.000006400000
    0.000111600006   -0.000060300003   -0.000032399999   -0.000016400000
    0.000270100014   -0.000146100008   -0.000078599997   -0.000039800000
    0.001347800067   -0.000733400039   -0.000394999985   -0.000200300002
    0.000613600031   -0.000332800018   -0.000179099993   -0.000090800001
    0.002990000149   -0.001634900086   -0.000881599966   -0.000447300006
    0.006739500337   -0.003708400196   -0.002003199923   -0.001016500013
    0.015408500770   -0.008560500452   -0.004634899821   -0.002354800029
    0.035369101768   -0.019913501053   -0.010822199582   -0.005499300068
    0.079192503959   -0.045558202408   -0.024889999039   -0.012681600158
    0.162028508099   -0.095988505074   -0.052887797958   -0.026966500335
    0.274028913698   -0.168589108911   -0.093815896378   -0.048090200598
    0.330815916536   -0.199800010561   -0.110318895741   -0.056104300697
    0.233811011687   -0.049843102635   -0.005202299799    0.000395300005
    0.073474803673    0.302046515965    0.265766689740    0.154932101925
    0.006531800327    0.492378526026    0.457014482357    0.264807203290
    0.000250700013    0.282162314914    0.066368997438    0.001966300024
   -0.000187500009    0.049530902618   -0.602628776735   -0.564714307017
    0.000029200001   -0.001868700099   -0.509109280346   -0.471690305861
   -0.000013900001    0.001288900068   -0.098226696208    0.483682306010
    0.000016200001   -0.000768700041   -0.003214499876    0.693429208616
   -0.000004700000    0.000309000016   -0.000352999986    0.187897602335
    0.000002400000   -0.000145400008    0.000082499997    0.006413300080
   -0.000000900000    0.000056400003   -0.000017899999    0.001711100021
    0.000000200000   -0.000014000001    0.000000200000   -0.000401000005
   18    2
     371.817000      86.460158
     33883.219000000
      8462.206100000
      2945.414300000
      1216.580700000
       560.428490000
       280.511560000
       149.615780000
        84.181768000
        48.470185000
        27.105659000
        15.063187000
         8.207152200
         4.357226400
         2.226594100
         1.064806200
         0.397341600
         0.137209120
         0.043347259
    0.000213699998    0.000125600001
    0.001346599987    0.000793600009
    0.006528799936    0.003872800043
    0.025909599747    0.015500300171
    0.081288299208    0.049424700544
    0.189727598151    0.116966301287
    0.308064896997    0.186900102057
    0.324976496832    0.164974801815
    0.209983297953   -0.051313500565
    0.064904499367   -0.385738804245
    0.003629799965   -0.466355605132
    0.000950099991   -0.193071802125
   -0.000528599995   -0.021699400239
    0.000169999998   -0.001054300012
   -0.000086499999    0.000032000000
    0.000022300000   -0.000043100000
   -0.000008500000    0.000013600000
    0.000002600000   -0.000003800000
   13    1
      51.130960
      2124.280800000
       709.416070000
       300.467530000
       143.668720000
        73.742902000
        39.627640000
        21.694527000
        11.940555000
         6.441738700
         3.309208900
         1.602690600
         0.716637100
         0.281335960
   -0.000394099993
   -0.003469799942
   -0.019055399679
   -0.068875498840
   -0.173113497085
   -0.297296394994
   -0.351268394085
   -0.253228095736
   -0.091621898457
   -0.011338899809
   -0.000306599995
   -0.000020100000
    0.000001400000
*
Spectral Representation Operator
Mixed primitive basis
 1.6
Exchange
NoP3
SOC
*******************************************************************************************
*                                                                                         *
*   Lr.AE.Paulovic.35s26p18d13f.7s5p4d2f.103e-DK3-AE.                                     *
*                                                                                         *
*******************************************************************************************
   3
* S-type functions
   35   11 5
 0.39674449D+13 0.30998446D+12 0.44219987D+11 0.86642089D+10 0.21905312D+10 0.65291003D+09
 0.23171930D+09 0.95239269D+08 0.35362672D+08 0.11834136D+08 0.38675549D+07 0.13033025D+07
 0.46460724D+06 0.17850768D+06 0.74219301D+05 0.32794928D+05 0.15070360D+05 0.72199568D+04
 0.36051838D+04 0.18136838D+04 0.90344198D+03 0.46813900D+03 0.24541320D+03 0.11580165D+03
 0.69777657D+02 0.39119662D+02 0.20896731D+02 0.12138201D+02 0.63765371D+01 0.33353146D+01
 0.13405308D+01 0.72285688D+00 0.36247974D+00 0.85177924D-01 0.31672413D-01
 0.0000051 -0.0000023  0.0000011  0.0000006 -0.0000003 -0.0000001  0.0000000 0.0 0.0 0.0 0.0
 0.0000212 -0.0000096  0.0000048  0.0000025 -0.0000013 -0.0000006  0.0000002 0.0 0.0 0.0 0.0
 0.0000595 -0.0000268  0.0000133  0.0000071 -0.0000037 -0.0000017  0.0000005 0.0 0.0 0.0 0.0
 0.0001383 -0.0000621  0.0000307  0.0000163 -0.0000085 -0.0000038  0.0000010 0.0 0.0 0.0 0.0
 0.0002758 -0.0001234  0.0000611  0.0000324 -0.0000169 -0.0000076  0.0000021 0.0 0.0 0.0 0.0
 0.0005098 -0.0002277  0.0001126  0.0000598 -0.0000312 -0.0000141  0.0000038 0.0 0.0 0.0 0.0
 0.0007760 -0.0003459  0.0001711  0.0000909 -0.0000474 -0.0000214  0.0000058 0.0 0.0 0.0 0.0
 0.0012952 -0.0005767  0.0002852  0.0001514 -0.0000790 -0.0000356  0.0000097 0.0 0.0 0.0 0.0
 0.0027056 -0.0012034  0.0005951  0.0003160 -0.0001648 -0.0000743  0.0000203 0.0 0.0 0.0 0.0
 0.0054416 -0.0024198  0.0011966  0.0006353 -0.0003314 -0.0001493  0.0000408 0.0 0.0 0.0 0.0
 0.0103962 -0.0046294  0.0022901  0.0012161 -0.0006343 -0.0002859  0.0000780 0.0 0.0 0.0 0.0
 0.0187975 -0.0084044  0.0041604  0.0022095 -0.0011527 -0.0005195  0.0001418 0.0 0.0 0.0 0.0
 0.0321745 -0.0145008  0.0071902  0.0038204 -0.0019932 -0.0008983  0.0002451 0.0 0.0 0.0 0.0
 0.0516680 -0.0236033  0.0117296  0.0062353 -0.0032538 -0.0014665  0.0004002 0.0 0.0 0.0 0.0
 0.0791841 -0.0369316  0.0184338  0.0098126 -0.0051218 -0.0023083  0.0006300 0.0 0.0 0.0 0.0
 0.1189414 -0.0572136  0.0286937  0.0152859 -0.0079828 -0.0035991  0.0009820 0.0 0.0 0.0 0.0
 0.1716991 -0.0863852  0.0437782  0.0234061 -0.0122296 -0.0055122  0.0015049 0.0 0.0 0.0 0.0
 0.2220187 -0.1187167  0.0606750  0.0324567 -0.0169780 -0.0076607  0.0020890 0.0 0.0 0.0 0.0
 0.2484202 -0.1406792  0.0731483  0.0394380 -0.0206366 -0.0092987  0.0025427 0.0 0.0 0.0 0.0
 0.2126191 -0.1032805  0.0490488  0.0254313 -0.0132272 -0.0059751  0.0016179 0.0 0.0 0.0 0.0
 0.0926437  0.1062353 -0.0913668 -0.0549620  0.0298573  0.0136422 -0.0036969 0.0 0.0 0.0 0.0
 0.0094177  0.4161546 -0.3814194 -0.2397259  0.1309327  0.0596305 -0.0163810 0.0 0.0 0.0 0.0
 0.0016116  0.4697820 -0.5032400 -0.3307500  0.1847869  0.0850115 -0.0230950 0.0 0.0 0.0 0.0
-0.0013313  0.1644112  0.1145041  0.1464544 -0.0982257 -0.0479201  0.0126495 0.0 0.0 0.0 0.0
 0.0012601 -0.0354241  0.7475460  0.9455283 -0.6328919 -0.3028973  0.0847405 0.0 0.0 0.0 0.0
-0.0008823  0.0220605  0.4170603  0.5134525 -0.3594882 -0.1812972  0.0480663 0.0 0.0 0.0 0.0
 0.0006217 -0.0136871  0.0515350 -0.8015306  0.9033078  0.5104510 -0.1399215 0.0 0.0 0.0 0.0
-0.0003993  0.0083792 -0.0029394 -0.7329327  1.1565903  0.7094640 -0.2098628 0.0 0.0 0.0 0.0
 0.0001963 -0.0040337  0.0014395 -0.1143935 -0.6668437 -0.6348313  0.2018846 0.0 0.0 0.0 0.0
-0.0000884  0.0018056 -0.0007686  0.0063211 -1.0191816 -1.0695749  0.3263772 0.0 0.0 0.0 0.0
 0.0000422 -0.0008603  0.0003078 -0.0035252 -0.1195544  0.3647799 -0.1130265 0.0 0.0 0.0 0.0
-0.0000271  0.0005520 -0.0001932  0.0021632  0.0231612  0.8213715 -0.4567614 1.0 0.0 0.0 0.0
 0.0000088 -0.0001802  0.0000658 -0.0006725 -0.0057039  0.2899728 -0.2003718 0.0 1.0 0.0 0.0
-0.0000016  0.0000323 -0.0000116  0.0001225  0.0007880  0.0084607  0.7822181 0.0 0.0 1.0 0.0
 0.0000006 -0.0000116  0.0000039 -0.0000403 -0.0002725 -0.0019202  0.4262467 0.0 0.0 0.0 1.0
* P-type functions
   26    9 4
 0.37082389D+09 0.55960854D+08 0.12078576D+08 0.31161045D+07 0.30663962D+06 0.92071816D+06
 0.11134365D+06 0.43139101D+05 0.17688129D+05 0.76444766D+04 0.34684548D+04 0.16475737D+04
 0.81737833D+03 0.42257661D+03 0.22598536D+03 0.12410979D+03 0.70043697D+02 0.39661712D+02
 0.21342733D+02 0.11896995D+02 0.64622849D+01 0.34133231D+01 0.17052642D+01 0.82660041D+00
 0.38674833D+00 0.16221806D+00
 0.0000149 -0.0000080 -0.0000043 -0.0000022  0.0000009 0.0 0.0 0.0 0.0
 0.0000432 -0.0000233 -0.0000125 -0.0000064  0.0000025 0.0 0.0 0.0 0.0
 0.0001116 -0.0000603 -0.0000324 -0.0000164  0.0000064 0.0 0.0 0.0 0.0
 0.0002701 -0.0001461 -0.0000786 -0.0000398  0.0000156 0.0 0.0 0.0 0.0
 0.0013478 -0.0007334 -0.0003950 -0.0002003  0.0000782 0.0 0.0 0.0 0.0
 0.0006136 -0.0003328 -0.0001791 -0.0000908  0.0000355 0.0 0.0 0.0 0.0
 0.0029900 -0.0016349 -0.0008816 -0.0004473  0.0001747 0.0 0.0 0.0 0.0
 0.0067395 -0.0037084 -0.0020032 -0.0010165  0.0003968 0.0 0.0 0.0 0.0
 0.0154085 -0.0085605 -0.0046349 -0.0023548  0.0009200 0.0 0.0 0.0 0.0
 0.0353691 -0.0199135 -0.0108222 -0.0054993  0.0021474 0.0 0.0 0.0 0.0
 0.0791925 -0.0455582 -0.0248900 -0.0126816  0.0049585 0.0 0.0 0.0 0.0
 0.1620285 -0.0959886 -0.0528878 -0.0269665  0.0105359 0.0 0.0 0.0 0.0
 0.2740288 -0.1685891 -0.0938159 -0.0480902  0.0188394 0.0 0.0 0.0 0.0
 0.3308159 -0.1998000 -0.1103189 -0.0561043  0.0218725 0.0 0.0 0.0 0.0
 0.2338110 -0.0498431 -0.0052023  0.0003953 -0.0003319 0.0 0.0 0.0 0.0
 0.0734748  0.3020466  0.2657667  0.1549321 -0.0627581 0.0 0.0 0.0 0.0
 0.0065318  0.4923785  0.4570145  0.2648071 -0.1060372 0.0 0.0 0.0 0.0
 0.0002507  0.2821623  0.0663690  0.0019663  0.0016800 0.0 0.0 0.0 0.0
-0.0001875  0.0495309 -0.6026287 -0.5647143  0.2574313 0.0 0.0 0.0 0.0
 0.0000292 -0.0018687 -0.5091094 -0.4716902  0.2049049 0.0 0.0 0.0 0.0
-0.0000139  0.0012889 -0.0982267  0.4836822 -0.3154233 0.0 0.0 0.0 0.0
 0.0000162 -0.0007687 -0.0032145  0.6934290 -0.4751633 0.0 0.0 0.0 0.0
-0.0000047  0.0003090 -0.0003530  0.1878979  0.0663568 1.0 0.0 0.0 0.0
 0.0000024 -0.0001454  0.0000825  0.0064133  0.5843676 0.0 1.0 0.0 0.0
-0.0000009  0.0000564 -0.0000179  0.0017111  0.4640111 0.0 0.0 1.0 0.0
 0.0000002 -0.0000140  0.0000002 -0.0004011  0.0936002 0.0 0.0 0.0 1.0
* D-type functions
   18    8 3
 0.33883219D+05 0.84622061D+04 0.29454143D+04 0.12165807D+04 0.56042849D+03 0.28051156D+03
 0.14961578D+03 0.84181768D+02 0.48470185D+02 0.27105659D+02 0.15063187D+02 0.82071522D+01
 0.43572264D+01 0.22265941D+01 0.10648062D+01 0.39734160D+00 0.13720912D+00 0.43347259D-01
 0.0002137  0.0001256  0.0000600 -0.0000116 0.0 0.0 0.0 0.0
 0.0013466  0.0007936  0.0003792 -0.0000737 0.0 0.0 0.0 0.0
 0.0065288  0.0038728  0.0018550 -0.0003592 0.0 0.0 0.0 0.0
 0.0259096  0.0155003  0.0074336 -0.0014458 0.0 0.0 0.0 0.0
 0.0812883  0.0494247  0.0238260 -0.0046154 0.0 0.0 0.0 0.0
 0.1897276  0.1169663  0.0564986 -0.0110188 0.0 0.0 0.0 0.0
 0.3080649  0.1869001  0.0901688 -0.0173946 0.0 0.0 0.0 0.0
 0.3249765  0.1649748  0.0736073 -0.0143818 0.0 0.0 0.0 0.0
 0.2099833 -0.0513135 -0.0544220  0.0121670 0.0 0.0 0.0 0.0
 0.0649045 -0.3857388 -0.2600050  0.0521860 0.0 0.0 0.0 0.0
 0.0036298 -0.4663555 -0.2864395  0.0590096 0.0 0.0 0.0 0.0
 0.0009501 -0.1930719  0.1558441 -0.0484689 0.0 0.0 0.0 0.0
-0.0005286 -0.0216994  0.5390369 -0.1301035 0.0 0.0 0.0 0.0
 0.0001700 -0.0010543  0.3945683 -0.0898116 0.0 0.0 0.0 0.0
-0.0000865  0.0000320  0.1011807  0.1313160 1.0 0.0 0.0 0.0
 0.0000223 -0.0000431  0.0051765  0.3837891 0.0 1.0 0.0 0.0
-0.0000085  0.0000136 -0.0000880  0.4861742 0.0 0.0 1.0 0.0
 0.0000026 -0.0000038  0.0000499  0.3032485 0.0 0.0 0.0 1.0
* F-type functions
   13    4 1
 0.21242808D+04 0.70941607D+03 0.30046753D+03 0.14366872D+03 0.73742902D+02 0.39627640D+02
 0.21694527D+02 0.11940555D+02 0.64417387D+01 0.33092089D+01 0.16026906D+01 0.71663710D+00
 0.28133596D+00
-0.0003941 -0.0001541 0.0 0.0 0.0
-0.0034698 -0.0013592 0.0 0.0 0.0
-0.0190554 -0.0074978 0.0 0.0 0.0
-0.0688755 -0.0271752 0.0 0.0 0.0
-0.1731134 -0.0684943 0.0 0.0 0.0
-0.2972964 -0.1121598 0.0 0.0 0.0
-0.3512683 -0.1142564 0.0 0.0 0.0
-0.2532281  0.0014131 0.0 0.0 0.0
-0.0916219  0.2254609 0.0 0.0 0.0
-0.0113389  0.3830284 0.0 0.0 0.0
-0.0003066  0.3597550 1.0 0.0 0.0
-0.0000201  0.2181148 0.0 1.0 0.0
 0.0000014  0.0684126 0.0 0.0 1.0
*
End

********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*                                                                              *
*             Embedding Ab Initio Model Potential Library                      *
*                                                                              *
********************************************************************************
*                  Please, report any bug, deficiency, or suggestion regarding *
*                  this library to Luis Seijo (luis.seijo@uam.es). Thank you.  *
********************************************************************************
* EMBEDDING AIMP CONTENTS                                                      *
********************************************************************************
* E. Embedding AIMPs                                                           *
*    E.1. Elpasolites                                                          *
*         E.1.1. K2NaGaF6                                                      *
*           E.1.1.a. K2NaGaF6 (a=8.246 A)                                      *
*           E.1.1.b. K2NaGaF6 (a=8.000 A; 60 Kbar)                             *
*         E.1.2. Cs2NaYCl6                                                     *
*           E.1.2.a. Cs2NaYCl6 (a=10.7396 A, x=0.2439)                         *
*           E.1.2.b Cs2NaYCl6 Delta-a/a=-0.6% (a=10.6752 A, x=0.2439)          *
*           E.1.2.c Cs2NaYCl6 Delta-a/a=-1.8% (a=10.5463 A, x=0.2439)          *
*           E.1.2.d Cs2NaYCl6 Delta-a/a=-3.1% (a=10.4067 A, x=0.2439)          *
*           E.1.2.e Cs2NaYCl6 Delta-a/a=-3.6% (a=10.3530 A, x=0.2439)          *
*         E.1.3. Cs2NaYBr6                                                     *
*           E.1.3.a. Cs2NaYBr6 (a=11.3047 A, x=0.2446)                         *
*         E.1.4. Cs2NaYF6                                                      *
*           E.1.4.a. Cs2NaYF6 (a=9.075 A, x=0.24)                              *
*    E.2. Perovskites                                                          *
*         E.2.1. KMgF3                                                         *
*           E.2.1.a. KMgF3 (a=3.973 A)                                         *
*         E.2.2. KZnF3                                                         *
*           E.2.2.a. KZnF3 (a=4.054 A)                                         *
*         E.2.3. KCdF3                                                         *
*           E.2.3.a. KCdF3 (a=4.302 A)                                         *
*         E.2.4. CsCaF3                                                        *
*           E.2.4.a. CsCaF3 (a=4.526 A)                                        *
*         E.2.5. CsCaBr3                                                       *
*           E.2.5.a. CsCaBr3 (a=5.690 A)                                       *
*         E.2.6. CaFeO3                                                        *
*           E.2.6.a. CaFeO3                                                    *
*         E.2.7. LaMnO3                                                        *
*           E.2.7.a. LaMnO3                                                    *
*         E.2.8. CaMnO3                                                        *
*           E.2.8.a. CaMnO3                                                    *
*    E.3. Rocksalt structure oxides and halides                                *
*         E.3.1. MgO                                                           *
*           E.3.1.a. MgO (a=4.2112 A)                                          *
*         E.3.2. CaO                                                           *
*           E.3.2.a. CaO (a=4.8105 A)                                          *
*         E.3.3. SrO                                                           *
*           E.3.3.a. SrO (a=5.1602 A)                                          *
*         E.3.4. NiO                                                           *
*           E.3.4.a. NiO (a=4.164 A)                                           *
*         E.3.5. LiF                                                           *
*           E.3.5.a. LiF (a=4.028 A)                                           *
*         E.3.6. NaF                                                           *
*           E.3.6.a. NaF (a=4.634 A)                                           *
*         E.3.7. KF                                                            *
*           E.3.7.a. KF (a=5.348 A)                                            *
*         E.3.8. NaCl                                                          *
*           E.3.8.a. NaCl (a=5.64056 A)                                        *
*         E.3.9. KCl                                                           *
*           E.3.9.a. KCl (a=6.2933 A)                                          *
*         E.3.10. MnO                                                          *
*           E.3.10.a. MnO (a=4.267 A)                                          *
*         E.3.11. CoO                                                          *
*           E.3.11.a. CoO (a=4.4.03145 A)                                      *
*    E.4. Fluorites                                                            *
*         E.4.1. CaF2                                                          *
*           E.4.1.a. CaF2 (a=5.46294 A)                                        *
*         E.4.2. SrF2                                                          *
*           E.4.2.a. SrF2 (a=5.796 A)                                          *
*           E.4.2.b. SrF2 (a=5.7647 A; Da/a=-.0054; P=0.4 GPa; K=24.65 GPa)    *
*           E.4.2.c. SrF2 (a=5.7334 A; Da/a=-.0108; P=0.8 GPa; K=24.65 GPa)    *
*           E.4.2.d. SrF2 (a=5.7021 A; Da/a=-.0162; P=1.2 GPa; K=24.65 GPa)    *
*           E.4.2.e. SrF2 (a=5.6708 A; Da/a=-.0216; P=1.6 GPa; K=24.65 GPa)    *
*           E.4.2.f. SrF2 (a=5.4825 A; Da/a=-.0541; P=4.0 GPa; K=24.65 GPa)    *
*           E.4.2.g. SrF2 (a=5.1690 A; Da/a=-.1082; P=8.0 GPa; K=24.65 GPa)    *
*           E.4.2.h. SrF2 (a=4.8555 A; Da/a=-.1623; P=12.0 GPa; K=24.65 GPa)   *
*         E.4.3. BaF2                                                          *
*           E.4.3.a. BaF2 (a=6.2001 A)                                         *
*         E.4.4. CdF2                                                          *
*           E.4.4.a. CdF2                                                      *
*    E.5. Miscellany                                                           *
*         E.5.1. Cs2GeF6                                                       *
*           E.5.1.a. Cs2GeF6 (a=9.021 A, x=0.20)                               *
*         E.5.2. Cs2ZrCl6                                                      *
*           E.5.2.a. Cs2ZrCl6 (a=10.407 A, x=0.235)                            *
*         E.5.3. YVO4                                                          *
*           E.5.3.a. YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)         *
*         E.5.4. Al2O3  D63d(R3c)                                              *
*           E.5.4.a. Al2O3 (D63d(R3c) a=4.76 A c=12.995 A z=0.35219 x=0.69367) *
*         E.5.5. SrB4O7 (SrB4O7)                                               *
*           E.5.5.a. SrB4O7                                                    *
*         E.5.6. Lu2O3                                                         *
*           E.5.6.a. Lu2O3                                                     *
*    E.6. Zeolite related data                                                 *
*         E.6.1. Quartz                                                        *
*           E.6.1.a. Quartz                                                    *
*         E.6.2. Dehydrated Na-A zeolite                                       *
*           E.6.2.a. Dehydrated Na-A zeolite [1 aimp for 3 different oxygens]  *
*           E.6.2.b. Dehydrated Na-A zeolite [3 aimp's for 3 different oxygens]*
*    E.7. Zincblende                                                           *
*         E.7.1. CuF                                                           *
*           E.7.1.a. CuF (a=4.255 A)                                           *
*         E.7.2. CuCl                                                          *
*           E.7.2.a. CuCl (a=5.40 A)                                           *
*         E.7.3. CuBr                                                          *
*           E.7.3.a. CuBr (a=5.69 A)                                           *
*    E.8. Garnets                                                              *
*         E.8.01. Y3Al5O12 (YAG)                                               *
*         E.8.02. Gd3Al5O12 (GdAG)                                             *
*         E.8.03. Er3Al5O12 (ErAG)                                             *
*         E.8.04. Yb3Al5O12 (YbAG)                                             *
*         E.8.05. Lu3Al5O12 (LuAG)                                             *
*         E.8.06. Y3Ga5O12 (YGG)                                               *
*         E.8.07. Nd3Ga5O12 (NdGG)                                             *
*         E.8.08. Sm3Ga5O12 (SmGG)                                             *
*         E.8.09. Gd3Ga5O12 (GdGG)                                             *
*         E.8.10. Tb3Ga5O12 (TbGG)                                             *
*         E.8.11. Dy3Ga5O12 (DyGG)                                             *
*         E.8.12. Ho3Ga5O12 (HoGG)                                             *
*         E.8.13. Yb3Ga5O12 (YbGG)                                             *
*         E.8.14. Lu3Ga5O12 (LuGG)                                             *
*         E.8.15. Mg3Al2Si3O12 (Pyrope)                                        *
*         E.8.16. Ca3Al2Si3O12 (Grossular)                                     *
*         E.8.17. Mn3Al2Si3O12 (Spessartine)                                   *
*         E.8.18. Fe3Al2Si3O12 (Almandine)                                     *
*         E.8.19. Ca3Fe2Si3O12 (Andradite)                                     *
*         E.8.20. Ca3Sc2Si3O12                                                 *
*         E.8.21. Lu2CaMg2Si3O12                                               *
********************************************************************************
* DETAILED EMBEDDING AIMP CONTENTS                                             *
********************************************************************************
* E. Embedding AIMPs                                                           *
*    E.1. Elpasolites                                                          *
*         E.1.1. K2NaGaF6                                                      *
*           E.1.1.a. K2NaGaF6 (a=8.246 A)                                      *
*             /K.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                       *
*             /Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-K2NaGaF6.                  *
*             /Na.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                      *
*             /Ga.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                      *
*             /F.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                       *
*           E.1.1.b. K2NaGaF6 (a=8.000 A; 60 Kbar)                             *
*             /K.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.                *
*             /Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-K2NaGaF6-60Kbar.           *
*             /Na.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.               *
*             /Ga.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.               *
*             /F.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.                *
*         E.1.2. Cs2NaYCl6                                                     *
*           E.1.2.a. Cs2NaYCl6 (a=10.7396 A, x=0.2439)                         *
*             /Cs.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                         *
*             /Na.ECP.Abdalla.7s4p.1s1p.0e-AIMP-Cs2NaYCl6.                     *
*             /Na.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                         *
*             /Y.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                          *
*             /Cl.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                         *
*           E.1.2.b Cs2NaYCl6 Delta-a/a=-0.6% (a=10.6752 A, x=0.2439)          *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0006a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                     *
*           E.1.2.c Cs2NaYCl6 Delta-a/a=-1.8% (a=10.5463 A, x=0.2439)          *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0018a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                     *
*           E.1.2.d Cs2NaYCl6 Delta-a/a=-3.1% (a=10.4067 A, x=0.2439)          *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0031a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                     *
*           E.1.2.e Cs2NaYCl6 Delta-a/a=-3.6% (a=10.3530 A, x=0.2439)          *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0036a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                     *
*         E.1.3. Cs2NaYBr6                                                     *
*           E.1.3.a. Cs2NaYBr6 (a=11.3047 A, x=0.2446)                         *
*             /Cs.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                         *
*             /Na.ECP.Abdalla.7s4p.1s1p.0e-AIMP-Cs2NaYBr6.                     *
*             /Na.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                         *
*             /Y.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                          *
*             /Br.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                         *
*         E.1.4. Cs2NaYF6                                                      *
*           E.1.4.a. Cs2NaYF6 (a=9.075 A, x=0.24)                              *
*             /Cs.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.                         *
*             /Na.ECP.Ruiperez.7s4p.1s1p.0e-AIMP-Cs2NaYF6.                     *
*             /Na.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.                         *
*             /Y.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.                          *
*             /F.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.                          *
*    E.2. Perovskites                                                          *
*         E.2.1. KMgF3                                                         *
*           E.2.1.a. KMgF3 (a=3.973 A)                                         *
*             /K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.                         *
*             /Mg.ECP.Lopez-Moraza.7s4p.1s1p.0e-AIMP-KMgF3.                    *
*             /Mg.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.                        *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.                         *
*         E.2.2. KZnF3                                                         *
*           E.2.2.a. KZnF3 (a=4.054 A)                                         *
*             /K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.                         *
*             /Zn.ECP.Lopez-Moraza.11s8p5d.1s1p1d.0e-AIMP-KZnF3.               *
*             /Zn.ECP.Lopez-Moraza.11s8p.1s1p.0e-AIMP-KZnF3.                   *
*             /Zn.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.                        *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.                         *
*         E.2.3. KCdF3                                                         *
*           E.2.3.a. KCdF3 (a=4.302 A)                                         *
*             /K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.                         *
*             /Cd.ECP.Lopez-Moraza.11s7p6d.1s1p1d.0e-AIMP-KCdF3.               *
*             /Cd.ECP.Lopez-Moraza.11s7p.1s1p.0e-AIMP-KCdF3.                   *
*             /Cd.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.                        *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.                         *
*          E.2.4. CsCaF3                                                       *
*            E.2.4.a. CsCaF3 (a=4.526 A)                                       *
*             /Cs.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.                       *
*             /Ca.ECP.Lopez-Moraza.10s7p.1s1p.0e-AIMP-CsCaF3.                  *
*             /Ca.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.                       *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.                        *
*          E.2.5. CsCaBr3                                                      *
*            E.2.5.a. CsCaBr3 (a=5.690 A)                                      *
*              /Cs.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.                     *
*              /Ca.ECP.Sanchez-Sanz.10s7p.1s1p.0e-AIMP-CsCaBr3.                *
*              /Ca.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.                     *
*              /Br.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.                     *
*         E.2.6. CaFeO3                                                        *
*           E.2.6.a. CaFeO3                                                    *
*             /Fe.ECP.Sadoc.0s.0s.0e-Fe(CaFeO3).                               *
*             /Ca.ECP.Sadoc.0s.0s.0e-Ca(CaFeO3).                               *
*             /O.ECP.Sadoc.0s.0s.0e-O(CaFeO3).                                 *
*             /O.ECP.Sadoc.11s6p.1s1p.0e-O(CaFeO3).                            *
*             /Fe.ECP.Sadoc.22s16p.1s1p.0e-Fe(CaFeO3).                         *
*         E.2.7. LaMnO3                                                        *
*           E.2.7.a. LaMnO3                                                    *
*             /La.ECP.deGraaf.0s.0s.0e-La(LaMnO3).                             *
*             /Mn.ECP.deGraaf.0s.0s.0e-Mn(LaMnO3).                             *
*             /O.ECP.deGraaf.0s.0s.0e-O1(LaMnO3).                              *
*             /O.ECP.deGraaf.0s.0s.0e-O2(LaMnO3).                              *
*             /Mn.ECP.deGraaf.22s16p.1s1p.0e-Mn(LaMnO3).                       *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-O1(LaMnO3).                         *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-O2(LaMnO3).                         *
*         E.2.8. CaMnO3                                                        *
*           E.2.8.a. CaMnO3                                                    *
*             /Ca.ECP.deGraaf.0s.0s.0e-Ca(CaMnO3).                             *
*             /Mn.ECP.deGraaf.0s.0s.0e-Mn(CaMnO3).                             *
*             /O.ECP.Graaf.0s.0s.0e-O(CaMnO3).                                 *
*             /Mn.ECP.deGraaf.22s16p.1s1p.0e-Mn(CaMnO3).                       *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-O(CaMnO3).                          *
*    E.3. Rocksalt structure oxides and halides                                *
*         E.3.1. MgO                                                           *
*           E.3.1.a. MgO (a=4.2112 A)                                          *
*             /Mg.ECP.Pascual.10s4p.1s1p.0e-AIMP-MgO.                          *
*             /Mg.ECP.Pascual.0s.0s.0e-AIMP-MgO.                               *
*             /Mg.ECP.Pascual.0s.0s.0e-AIMP-MgO-065.                           *
*             /O.ECP.Pascual.8s6p.1s1p.0e-AIMP-MgO.                            *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-MgO.                                *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-MgO-065.                            *
*         E.3.2. CaO                                                           *
*           E.3.2.a. CaO (a=4.8105 A)                                          *
*             /Ca.ECP.Pascual.13s7p.1s1p.0e-AIMP-CaO.                          *
*             /Ca.ECP.Pascual.0s.0s.0e-AIMP-CaO.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-CaO.                                *
*         E.3.3. SrO                                                           *
*           E.3.3.a. SrO (a=5.1602 A)                                          *
*             /Sr.ECP.Pascual.16s10p.1s1p.0e-AIMP-SrO.                         *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrO.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-SrO.                                *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrO-QR.                            *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-SrO-QR.                             *
*         E.3.4. NiO                                                           *
*           E.3.4.a. NiO (a=4.164 A)                                           *
*             /Ni.ECP.Seijo.14s11p6d.1s1p1d.0e-AIMP-NiO.                       *
*             /Ni.ECP.Seijo.0s.0s.0e-AIMP-NiO.                                 *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-NiO.                                  *
*         E.3.5. LiF                                                           *
*           E.3.5.a. LiF (a=4.028 A)                                           *
*             /Li.ECP.Seijo.4s.1s.0e-AIMP-LiF.                                 *
*             /Li.ECP.Seijo.0s.0s.0e-AIMP-LiF.                                 *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-LiF.                                  *
*         E.3.6. NaF                                                           *
*           E.3.6.a. NaF (a=4.634 A)                                           *
*             /Na.ECP.Seijo.6s3p.1s1p.0e-AIMP-NaF.                             *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-NaF.                                 *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-NaF.                                  *
*         E.3.7. KF                                                            *
*           E.3.7.a. KF (a=5.348 A)                                            *
*             /K.ECP.Seijo.10s7p.1s1p.0e-AIMP-KF.                              *
*             /K.ECP.Seijo.0s.0s.0e-AIMP-KF.                                   *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-KF.                                   *
*         E.3.8. NaCl                                                          *
*           E.3.8.a. NaCl (a=5.64056 A)                                        *
*             /Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-NaCl.                      *
*             /Na.ECP.Barandiaran.0s.0s.0e-AIMP-NaCl.                          *
*             /Cl.ECP.Barandiaran.0s.0s.0e-AIMP-NaCl.                          *
*         E.3.9. KCl                                                           *
*           E.3.9.a. KCl (a=6.2933 A)                                          *
*             /K.ECP.Pascual.10s7p.1s1p.0e-AIMP-KCl.                           *
*             /K.ECP.Pascual.0s.0s.0e-AIMP-KCl.                                *
*             /Cl.ECP.Pascual.0s.0s.0e-AIMP-KCl.                               *
*         E.3.10. MnO                                                          *
*           E.3.10.a. MnO (a=4.267 A)                                          *
*             /Mn.ECP.Pascual.0s.0s.0e-AIMP-MnO.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-MnO.                                *
*         E.3.11. CoO                                                          *
*           E.3.11.a. CoO (a=4.4.03145 A)                                      *
*             /Co.ECP.deGraaf.0s.0s.0e-AIMP-Co(CoO).                           *
*             /Co.ECP.deGraaf.22s16p.1s1p.0e-AIMP-Co(CoO).                     *
*             /O.ECP.deGraaf.0s.0s.0e-AIMP-O(CoO).                             *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-AIMP-O(CoO).                        *
*    E.4. Fluorites                                                            *
*         E.4.1. CaF2                                                          *
*           E.4.1.a. CaF2 (a=5.46294 A)                                        *
*             /Ca.ECP.Pascual.0s.0s.0e-AIMP-CaF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-CaF2.                               *
*         E.4.2. SrF2                                                          *
*           E.4.2.a. SrF2 (a=5.796 A)                                          *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2.                               *
*           E.4.2.b. SrF2 (a=5.7647 A; Da/a=-.0054; P=0.4 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00054a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00054a.                        *
*           E.4.2.c. SrF2 (a=5.7334 A; Da/a=-.0108; P=0.8 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00108a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00108a.                        *
*           E.4.2.d. SrF2 (a=5.7021 A; Da/a=-.0162; P=1.2 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00162a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00162a.                        *
*           E.4.2.e. SrF2 (a=5.6708 A; Da/a=-.0216; P=1.6 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00216a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00216a.                        *
*           E.4.2.f. SrF2 (a=5.4825 A; Da/a=-.0541; P=4.0 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00541a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00541a.                        *
*           E.4.2.g. SrF2 (a=5.1690 A; Da/a=-.1082; P=8.0 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01082a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01082a.                        *
*           E.4.2.h. SrF2 (a=4.8555 A; Da/a=-.1623; P=12.0 GPa; K=24.65 GPa)   *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01623a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01623a.                        *
*         E.4.3. BaF2                                                          *
*           E.4.3.a. BaF2                                                      *
*             /Ba.ECP.Pascual.0s.0s.0e-AIMP-BaF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-BaF2.                               *
*         E.4.4. CdF2                                                          *
*           E.4.4.a. CdF2                                                      *
*             /Cd.ECP.Pascual.0s.0s.0e-AIMP-CdF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-CdF2.                               *
*    E.5. Miscellany                                                           *
*         E.5.1. Cs2GeF6                                                       *
*           E.5.1.a. Cs2GeF6 (a=9.021 A, x=0.20)                               *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.                             *
*             /Ge.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.                             *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.                              *
*         E.5.2. Cs2ZrCl6                                                      *
*           E.5.2.a. Cs2ZrCl6 (a=10.407 A, x=0.235)                            *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.                            *
*             /Zr.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.                            *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.                            *
*         E.5.3. YVO4                                                          *
*           E.5.3.a. YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)         *
*             /Y.ECP.Pascual.0s.0s.0e-AIMP-YVO4.                               *
*             /V.ECP.Pascual.0s.0s.0e-AIMP-YVO4.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-YVO4.                               *
*         E.5.4. Al2O3  D63d(R3c)                                              *
*           E.5.4.a. Al2O3 (D63d(R3c) a=4.76 A c=12.995 A z=0.35219 x=0.69367) *
*             /Al.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.                             *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.                              *
*         E.5.5. SrB4O7 (SrB4O7)                                               *
*           E.5.5.a. SrB4O7                                                    *
*             /Sr.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-Sr.                          *
*             /Sr.ECP.DeJong.23s19p.1s1p.0e-AIMP-SrB4O7-Sr.                    *
*             /B.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-B1.                           *
*             /B.ECP.DeJong.12s.1s.0e-AIMP-SrB4O7-B1.                          *
*             /B.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-B2.                           *
*             /B.ECP.DeJong.12s.1s.0e-AIMP-SrB4O7-B2.                          *
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O1.                           *
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O2.                           *
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O3.                           *
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O4.                           *
*         E.5.6. Lu2O3                                                         *
*           E.5.6.a. Lu2O3                                                     *
*             /Lu.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3-Lu(1).                       *
*             /Lu.ECP.Pascual.14s10p.1s1p.0e-AIMP-Lu2O3-Lu(1).                 *
*             /Lu.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3-Lu(2).                       *
*             /Lu.ECP.Pascual.14s10p.1s1p.0e-AIMP-Lu2O3-Lu(2).                 *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3.                              *
********************************************************************************
*    E.6. Zeolite related data                                                 *
*         E.6.1. Quartz                                                        *
*           E.6.1.a. Quartz                                                    *
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Quartz.                              *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Quartz.                               *
*         E.6.2. Dehydrated Na-A zeolite                                       *
*           E.6.2.a. Dehydrated Na-A zeolite [1 aimp for 3 different oxygens]  *
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                             *
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                             *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                              *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                             *
*           E.6.2.b. Dehydrated Na-A zeolite [3 aimp's for 3 different oxygens]*
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.                         *
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.                         *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(1).                     *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(2).                     *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(3).                     *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.                         *
*    E.7. Zincblende                                                           *
*         E.7.1. CuF                                                           *
*           E.7.1.a. CuF (a=4.255 A)                                           *
*             /Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuF.                       *
*             /Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuF.                           *
*             /Cu.ECP.Sousa.0s.0s.0e-AIMP-CuF.                                 *
*             /F.ECP.Sousa.0s.0s.0e-AIMP-CuF.                                  *
*         E.7.2. CuCl                                                          *
*           E.7.2.a. CuCl (a=5.40 A)                                           *
*             /Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuCl.                      *
*             /Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuCl.                          *
*             /Cu.ECP.Sousa.0s.0s.0e-AIMP-CuCl.                                *
*             /Cl.ECP.Sousa.0s.0s.0e-AIMP-CuCl.                                *
*         E.7.3. CuBr                                                          *
*           E.7.3.a. CuBr (a=5.69 A)                                           *
*             /Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuBr.                      *
*             /Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuBr.                          *
*             /Cu.ECP.Sousa.0s.0s.0e-AIMP-CuBr.                                *
*             /Br.ECP.Sousa.0s.0s.0e-AIMP-CuBr.                                *
*    E.8. Garnets
*         E.8.01. Y3Al5O12 (YAG)
*           E.8.01.a. Y3Al5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=12.000A, x=-0.0306, =0.0512, z=0.1500)
*             Embedding potentials:
*                    J. Gracia et al., J. Lumin., 128(2008)1248.
*                    Out of SCEI DKH-HF calculations
*             /Y.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-Y.
*             /Al.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-Al(oct).
*             /Al.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-Al(tet).
*             /Al.ECP.Gracia.11s8p.1s1p.0e-AIMP-Y3Al5O12-Al(tet).
*             /O.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-O.
*         E.8.02. Gd3Al5O12 (GdAG)
*           E.8.02.a. Gd3Al5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=12.113A, x=-0.0311, =0.0509, z=0.1490)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Gd.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-Gd.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-Al(oct).
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-Al(tet).
*             /Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Gd3Al5O12-Al(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-O.
*         E.8.03. Er3Al5O12 (ErAG)
*           E.8.03.a. Er3Al5O12
*             Structure:
*                    B.Etschmann et al., Acta Cryst Sec B 57(2) (2001) 136-141
*                    (Ia-3d; a=11.9928, x=-0.03039, =0.05124, z=0.14915)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Er.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-Er.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-Al(oct).
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-Al(tet).
*             /Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Er3Al5O12-Al(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-O.
*         E.8.04. Yb3Al5O12 (YbAG)
*           E.8.04.a. Yb3Al5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=11.931A, x=-0.0296, =0.0529, z=0.1504)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Yb.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-Yb.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-Al(oct).
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-Al(tet).
*             /Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Yb3Al5O12-Al(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-O.
*         E.8.05. Lu3Al5O12 (LuAG)
*           E.8.05.a. Lu3Al5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=11.906A, x=-0.0294, =0.0537, z=0.1509)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Lu.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-Lu.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-Al(oct).
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-Al(tet).
*             /Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Lu3Al5O12-Al(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-O.
*         E.8.06. Y3Ga5O12 (YGG)
*           E.8.06.a. Y3Ga5O12
*             Structure:
*                    A.Nakatsuka et al., Acta Crys Sec B 51(5) (1995) 737-754
*                    (Ia-3d; a=12.273A, x=-0.0274, =0.0546, z=0.1493)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-Y.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Y3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-O.
*         E.8.07. Nd3Ga5O12 (NdGG)
*           E.8.07.a. Nd3Ga5O12
*             Structure:
*                    H.Sawada, J. Solid State Chem 132 (1997) 300-307
*                    (Ia-3d; a=12.3829A, x=-0.0289, =0.0542, z=0.1494)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Nd.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-Nd.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Nd3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-O.
*         E.8.08. Sm3Ga5O12 (SmGG)
*           E.8.08.a. Sm3Ga5O12
*             Structure:
*                    H.Sawada, J. Solid State Chem 132 (1997) 300-307
*                    (Ia-3d; a=12.4361A, x=-0.0292, =0.0530, z=0.1490)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Sm.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-Sm.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Sm3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-O.
*         E.8.09. Gd3Ga5O12 (GdGG)
*           E.8.09.a. Gd3Ga5O12
*             Structure:
*                    H.Sawada, J. Solid State Chem 132 (1997) 300-307
*                    (Ia-3d; a=12.3829A, x=-0.0289, =0.0542, z=0.1494)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Gd.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-Gd.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Gd3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-O.
*         E.8.10. Tb3Ga5O12 (TbGG)
*           E.8.10.a. Tb3Ga5O12
*             Structure:
*                    H.Sawada, J. Solid State Chem 132 (1997) 300-307
*                    (Ia-3d; a=12.3474A, x=-0.0282, =0.0547, z=0.1495
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Tb.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-Tb.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Tb3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-O.
*         E.8.11. Dy3Ga5O12 (DyGG)
*           E.8.11.a. Dy3Ga5O12
*             Structure:
*                    G.Patzke et al., Zeitschrift fur Kristallographie - NCS (1999)
*                    (Ia-3d; a=12.3060A, x=-0.0278, =0.0549, z=0.1499)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Dy.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-Dy.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Dy3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-O.
*         E.8.12. Ho3Ga5O12 (HoGG)
*           E.8.12.a. Ho3Ga5O12
*             Structure:
*                    G.Patzke et al., Zeitschrift fur Kristallographie - NCS (1999)
*                    (Ia-3d; a=12.3060A, x=-0.0278, =0.0549, z=0.1499)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Ho.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-Ho.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Ho3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-O.
*         E.8.13. Yb3Ga5O12 (YbGG)
*           E.8.13.a. Yb3Ga5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=12.204A, x=-0.0259, =0.0563, z=0.1519)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Yb.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-Yb.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Yb3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-O.
*         E.8.14. Lu3Ga5O12 (LuGG)
*           E.8.14.a. Lu3Ga5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=12.188A, x=-0.0252, =0.0570, z=0.1506)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Lu.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-Lu.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Lu3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-O.
*         E.8.15. Mg3Al2Si3O12 (Pyrope)
*           E.8.15.a. Mg3Al2Si3O12
*             Structure:
*                    J.Ganguly et al., American Mineralogist 78 (1993) 583-593
*                    (Ia-3d; a=11.4566A, x=-0.0329, =0.0501, z=0.1528)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Mg.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-Mg.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-Al(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Mg3Al2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-O.
*         E.8.16. Ca3Al2Si3O12 (Grossular)
*           E.8.16.a. Ca3Al2Si3O12
*             Structure:
*                    J.Ganguly et al., American Mineralogist 78 (1993) 583-593
*                    (Ia-3d; a=11.8515A, x=-0.0376, =0.0454, z=0.1513)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Ca.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-Ca.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-Al(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Ca3Al2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-O.
*         E.8.17. Mn3Al2Si3O12 (Spessartine)
*           E.8.17.a. Mn3Al2Si3O12
*             Structure:
*                    Geiger, American Mineralogist, Volume 82, pages 740–747, 1997
*                    (Ia-3d; a=11.6190A, x=-0.03491, =0.04791, z=0.1525)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Mn.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-Mn.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-Al(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Mn3Al2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-O.
*         E.8.18. Fe3Al2Si3O12 (Almandine)
*           E.8.18.a. Fe3Al2Si3O12
*             Structure:
*                    T.Armbruster et al., American Mineralogist, Volume 77, pages 512-521, 1992
*                    (Ia-3d; a=11.5250A, x=-0.03401, =0.04901, z=0.15278)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Fe.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-Fe.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-Al(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Fe3Al2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-O.
*         E.8.19. Ca3Fe2Si3O12 (Andradite)
*           E.8.19.a. Ca3Fe2Si3O12
*             Structure:
*                    S.Quartieri et al. American Mineralogist 91 (2006) 1240-1248
*                    (Ia-3d; a=11.5250A, x=-0.03401, =0.04901, z=0.15278)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Ca.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-Ca.
*             /Fe.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-Fe(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Ca3Fe2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-O.
*         E.8.20. Ca3Sc2Si3O12
*           E.8.20.a. Ca3Sc2Si3O12
*             Structure:
*                    S.Quartieri et al., American Mineralogist 91 (2006) 1240-1248
*                    (Ia-3d; a=12.2500A, x=-0.04004, =0.0501, z=0.15887)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Ca.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-Ca.
*             /Sc.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-Sc(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Ca3Sc2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-O.
*         E.8.21. Lu2CaMg2Si3O12
*           E.8.21.a. Lu2CaMg2Si3O12
*             Structure:
*                    A.A.Setlur et al., Chem. Mater. 18(2006)3314
*                    (Ia-3d; a=11.9750A, x=-0.0351, =0.0538, z=0.1578
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Lu.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Lu.
*             /Ca.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Ca.
*             /Mg.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Mg(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Lu2CaMg2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-O.
********************************************************************************
* END OF CORE AIMP CONTENTS                                                    *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*  Except when indicated, the Embedding AIMPs have been produced in            *
*  self-consistent-embedded-ion (SCEI) calculations,                           *
*  which are performed with the following loop:                                *
*      Guess embedding-AIMP's for all the ions of an ionic crystal.            *
*      Do until convergence                                                    *
*        Do i = ions of an ionic crystal                                       *
*          Perform a calculation (i.e. HF) on the ion i, embedded in           *
*            an ionic lattice made of AIMP's.                                  *
*          Produce the AIMP corresponding to the wavefunction of ion i         *
*            just calculated.                                                  *
*        End Do                                                                *
*        Check convergence of the embedded-ion energies and wavefuncitons.     *
*      End Do                                                                  *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
*    E.1. Elpasolites                                                          *
********************************************************************************
********************************************************************************
*                                                                              *
********************************************************************************
*         E.1.1. K2NaGaF6                                                      *
********************************************************************************
*           E.1.1.a. K2NaGaF6 (a=8.246 A)                                      *
*             /K.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                       *
*             /Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-K2NaGaF6.                  *
*             /Na.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                      *
*             /Ga.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                      *
*             /F.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                       *
*           E.1.1.b. K2NaGaF6 (a=8.000 A; 60 Kbar)                             *
*             /K.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.                *
*             /Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-K2NaGaF6-60Kbar.           *
*             /Na.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.               *
*             /Ga.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.               *
*             /F.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.                *
********************************************************************************
*         E.1.2. Cs2NaYCl6                                                     *
********************************************************************************
*           E.1.2.a. Cs2NaYCl6 (a=10.7396 A, x=0.2439)                         *
*             /Cs.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                         *
*             /Na.ECP.Abdalla.7s4p.1s1p.0e-AIMP-Cs2NaYCl6.                     *
*             /Na.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                         *
*             /Y.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                          *
*             /Cl.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                         *
*           E.1.2.b Cs2NaYCl6 Delta-a/a=-0.6% (a=10.6752 A, x=0.2439)          *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0006a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                     *
*           E.1.2.c Cs2NaYCl6 Delta-a/a=-1.8% (a=10.5463 A, x=0.2439)          *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0018a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                     *
*           E.1.2.d Cs2NaYCl6 Delta-a/a=-3.1% (a=10.4067 A, x=0.2439)          *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0031a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                     *
*           E.1.2.e Cs2NaYCl6 Delta-a/a=-3.6% (a=10.3530 A, x=0.2439)          *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0036a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                     *
********************************************************************************
*         E.1.3. Cs2NaYBr6                                                     *
********************************************************************************
*           E.1.3.a. Cs2NaYBr6 (a=11.3047 A, x=0.2446)                         *
*             /Cs.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                         *
*             /Na.ECP.Abdalla.7s4p.1s1p.0e-AIMP-Cs2NaYBr6.                     *
*             /Na.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                         *
*             /Y.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                          *
*             /Br.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                         *
********************************************************************************
*         E.1.4. Cs2NaYF6                                                      *
********************************************************************************
*           E.1.4.a. Cs2NaYF6 (a=9.075 A, x=0.24)                              *
*             /Cs.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.                         *
*             /Na.ECP.Ruiperez.7s4p.1s1p.0e-AIMP-Cs2NaYF6.                     *
*             /Na.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.                         *
*             /Y.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.                          *
*             /F.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.                          *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*    E.1. Elpasolites                                                          *
********************************************************************************
*
********************************************************************************
*         E.1.1. K2NaGaF6                                                      *
********************************************************************************
*           E.1.1.a. K2NaGaF6 (a=8.246 A)                                      *
*             /K.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                       *
*             /Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-K2NaGaF6.                  *
*             /Na.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                      *
*             /Ga.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                      *
*             /F.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.                       *
********************************************************************************
/K.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.246A x=0.235.
  1.000    0
    0    0
*
* External AIMP: K(K2NAGAF6)/P=0
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   331500.0000
   46370.00000
   10076.00000
   2682.000000
   818.0000000
   290.6000000
   105.5700000
   34.01000000
   15.77000000
   7.500000000
   2.084000000
   .9960000000
   .4564000000

   .123248472000
   .160753821000
   .301234515000
   .535508774000
   .909246968000
  1.193717890000
  1.414507950000
  2.343089070000
  3.182524670000
  1.415672900000
  2.414318060000
  3.306587520000
   .699589385000
M2
    0
COREREP
   1.0
PROJOP
    1
    9    3
  266.279787      28.6871671      3.19783657
   2282.000000
   418.5000000
   116.7000000
   39.06000000
   8.897000000
   3.718000000
   1.228000000
   .5760000000
   .2381000000
   .042847211200  -.012596122100   .004157363880
   .205335128000  -.063702437700   .021176716300
   .469337959000  -.188434340000   .064114230500
   .396700334000  -.225589110000   .081367039400
   .048530402300   .457407417000  -.209339987000
  -.019933730200   .617704031000  -.465888816000
   .011177033400   .087544175300   .139241731000
  -.006928562950  -.015820964600   .761508177000
   .001855146290   .004010124310   .311333976000
    6    2
  22.6536644      1.59485086
   73.90000000
   18.09000000
   5.700000000
   1.755000000
   .6403000000
   .2250000000
   .114191658000  -.035924016500
   .428521337000  -.143195186000
   .536863849000  -.188721170000
   .126808682000   .204477423000
  -.015376871100   .630827579000
   .004986974090   .316254214000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-K2NaGaF6.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.246A x=0.235.
* with orthogonalitys-functions
* NA-K2NAGAF6-(6/3)             (6/3)
  1.000000         1

    6    1
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
  -.015687720500
  -.072243852200
  -.192057064000
  -.123238166000
   .655405095000
   .469656787000
    3    1
   10.47200000
   2.284600000
   .5814000000
   .229816371000
   .580075737000
   .412742096000
*
* External AIMP: NA(K2NAGAF6)/P=0
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   257500.0000
   29190.00000
   5466.000000
   1339.900000
   402.7000000
   140.3000000
   50.70000000
   14.95000000
   4.839000000
   2.472000000
   1.049300000

   .068557528400
   .104812569000
   .204620328000
   .368077851000
   .599380140000
   .936378626000
  1.003687360000
  1.531736360000
  2.469430110000
  1.936444660000
   .776874472000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  80.5940616      5.23377449
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
   .061862461500  -.015687720500
   .272920485000  -.072243852200
   .500959794000  -.192057064000
   .299290292000  -.123238166000
   .018435485500   .655405095000
  -.003866685150   .469656787000
    3    1
  2.53974045
   10.47200000
   2.284600000
   .5814000000
   .229816371000
   .580075737000
   .412742096000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.246A x=0.235.
  1.000    0
    0    0
*
* External AIMP: NA(K2NAGAF6)/P=0
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   257500.0000
   29190.00000
   5466.000000
   1339.900000
   402.7000000
   140.3000000
   50.70000000
   14.95000000
   4.839000000
   2.472000000
   1.049300000

   .068557528400
   .104812569000
   .204620328000
   .368077851000
   .599380140000
   .936378626000
  1.003687360000
  1.531736360000
  2.469430110000
  1.936444660000
   .776874472000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  80.5940616      5.23377449
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
   .061862461500  -.015687720500
   .272920485000  -.072243852200
   .500959794000  -.192057064000
   .299290292000  -.123238166000
   .018435485500   .655405095000
  -.003866685150   .469656787000
    3    1
  2.53974045
   10.47200000
   2.284600000
   .5814000000
   .229816371000
   .580075737000
   .412742096000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.246A x=0.235.
  3.000    0
    0    0
*
* External AIMP: GA(K2NAGAF6)/P=0
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   368000.0000
   56990.00000
   13710.00000
   3963.000000
   1291.200000
   431.8000000
   144.6000000
   66.52000000
   30.83000000
   8.309000000
   4.309000000
   2.226000000
   .9360000000

   .075422116667
   .089829582000
   .160948612000
   .274762721000
   .453132706667
   .602045353333
   .697676170000
  1.192888026667
  1.095761383333
  1.687802710000
  1.696053516667
  1.111926123333
   .195084313000
M2
    0
COREREP
   1.0
PROJOP
    2
    9    3
  756.678541      96.7177342      13.0980448
   6490.000000
   1203.000000
   340.9000000
   116.1000000
   31.44000000
   14.86000000
   6.635000000
   2.548000000
   1.017000000
   .039806164300  -.012770223400   .004577592400
   .190044447000  -.064862999500   .023277838900
   .447437975000  -.191649505000   .072506314800
   .418546050000  -.264682201000   .107788732000
   .068437097100   .290219405000  -.147243842000
  -.030032582900   .655165486000  -.556108201000
   .016929196500   .205116464000  -.065315627300
   .000847685845   .011129728400   .824513903000
   .002428430240   .000964687108   .405995327000
    6    2
  85.2425738      9.26688121
   253.7000000
   63.84000000
   21.18000000
   7.292000000
   2.767000000
   1.005000000
   .095108130000  -.037237915200
   .392800011000  -.165723723000
   .543920273000  -.240466940000
   .157092546000   .206538641000
  -.008467966660   .646709410000
   .004183926450   .300987440000
    4    1
  2.61765016
   23.34600000
   6.369200000
   1.981000000
   .6161200000
   .146087757000
   .418562478000
   .505026089000
   .245196164000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.246A x=0.235.
 -1.000    0
    0    0
*
* External AIMP: F(K2NAGAF6)/P=0
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   219000.0000
   21540.00000
   3639.000000
   819.6000000
   231.6000000
   71.20000000
   23.03000000
   7.364000000
   2.422000000
   .8583000000
   .3366000000

  -.059446009500
  -.100637111000
  -.205253008000
  -.385563062000
  -.676624081000
 -1.081606650000
  -.955728941000
 -1.378056020000
 -2.981004360000
 -2.113546800000
  -.062533967100
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  51.7548781      2.78645975
   205.9000000
   37.19000000
   9.880000000
   1.713000000
   .6486000000
   .2108000000
   .120783236000  -.027905353200
   .458957133000  -.125758276000
   .521968977000  -.216316482000
   .063870348300   .263821266000
  -.024869943700   .629237194000
   .007076317410   .241035022000
    4    1
  1.00173351
   7.968000000
   1.778000000
   .4582000000
   .1109000000
   .160537634000
   .432081436000
   .593992535000
   .041452338800
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.1.1.b. K2NaGaF6 (a=8.000 A; 60 Kbar)                             *
********************************************************************************
*             /K.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.                *
*             /Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-K2NaGaF6-60Kbar.           *
*             /Na.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.               *
*             /Ga.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.               *
*             /F.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.                *
********************************************************************************
/K.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.000A x=0.235.
  1.000    0
    0    0
*
* External AIMP: K(K2NAGAF6)/P=60
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   331500.0000
   46370.00000
   10076.00000
   2682.000000
   818.0000000
   290.6000000
   105.5700000
   34.01000000
   15.77000000
   7.510000000
   2.084000000
   .9960000000
   .4564000000

   .123253746000
   .160767159000
   .301238304000
   .535561606000
   .909235855000
  1.193883620000
  1.414449800000
  2.344020220000
  3.180289200000
  1.416733210000
  2.415046440000
  3.316548270000
   .688972578000
M2
    0
COREREP
   1.0
PROJOP
    1
    9    3
  266.249517      28.6578396      3.17248052
   2282.000000
   418.5000000
   116.7000000
   39.06000000
   8.897000000
   3.718000000
   1.228000000
   .5760000000
   .2381000000
   .042847191100  -.012595963200   .004157056810
   .205335060000  -.063701601600   .021177023900
   .469337476000  -.188431674000   .064103405700
   .396700557000  -.225585553000   .081388362800
   .048531151900   .457385982000  -.209501297000
  -.019933799700   .617716576000  -.465196587000
   .011176505300   .087514008000   .136899233000
  -.006928017900  -.015759588900   .764787338000
   .001855055120   .003995475610   .309633206000
    6    2
  22.6242199      1.56785957
   73.90000000
   18.09000000
   5.700000000
   1.755000000
   .6403000000
   .2250000000
   .114190190000  -.035940963500
   .428514946000  -.143314365000
   .536864411000  -.188663825000
   .126813593000   .203773351000
  -.015362384500   .633407013000
   .004976830310   .313760520000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-K2NaGaF6-60Kbar.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.000A x=0.235.
* with orthogonality functions
* NA-K2NAGAF6-(6/3)             (6/3)
  1.000000         1

    6    1
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
  -.015687720500
  -.072243852200
  -.192057064000
  -.123238166000
   .655405095000
   .469656787000
    3    1
   10.47200000
   2.284600000
   .5814000000
   .229816371000
   .580075737000
   .412742096000
*
* External AIMP: NA(K2NAGAF6)/P=60
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   257500.0000
   29190.00000
   5466.000000
   1339.900000
   402.7000000
   140.3000000
   50.70000000
   14.95000000
   4.839000000
   2.472000000
   1.049300000

   .068561504600
   .104817631000
   .204633662000
   .368092569000
   .599421576000
   .936407083000
  1.003782420000
  1.531819420000
  2.470608170000
  1.936010310000
   .775845654000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  80.5598533      5.20081133
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
   .061862361800  -.015689692900
   .272919975000  -.072260032000
   .500958556000  -.192058096000
   .299290177000  -.123335909000
   .018441425900   .655818767000
  -.003870023820   .469283353000
    3    1
  2.50667092
   10.47200000
   2.284600000
   .5814000000
   .229820099000
   .580271273000
   .412504125000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.000A x=0.235.
  1.000    0
    0    0
*
* External AIMP: NA(K2NAGAF6)/P=60
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   257500.0000
   29190.00000
   5466.000000
   1339.900000
   402.7000000
   140.3000000
   50.70000000
   14.95000000
   4.839000000
   2.472000000
   1.049300000

   .068561504600
   .104817631000
   .204633662000
   .368092569000
   .599421576000
   .936407083000
  1.003782420000
  1.531819420000
  2.470608170000
  1.936010310000
   .775845654000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  80.5598533      5.20081133
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
   .061862361800  -.015689692900
   .272919975000  -.072260032000
   .500958556000  -.192058096000
   .299290177000  -.123335909000
   .018441425900   .655818767000
  -.003870023820   .469283353000
    3    1
  2.50667092
   10.47200000
   2.284600000
   .5814000000
   .229820099000
   .580271273000
   .412504125000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ga.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.000A x=0.235.
  3.000    0
    0    0
*
* External AIMP: GA(K2NAGAF6)/P=60
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   368000.0000
   56990.00000
   13710.00000
   3963.000000
   1291.200000
   431.8000000
   144.6000000
   66.52000000
   30.83000000
   8.309000000
   4.309000000
   2.226000000
   .9360000000

   .075423084000
   .089826812333
   .160955428667
   .274749209000
   .453157420000
   .602008356667
   .697836836667
  1.192490500000
  1.096324806667
  1.687026313333
  1.696939583333
  1.112588936667
   .194006046000
M2
    0
COREREP
   1.0
PROJOP
    2
    9    3
  756.611101      96.6505395      13.0298045
   6490.000000
   1203.000000
   340.9000000
   116.1000000
   31.44000000
   14.86000000
   6.635000000
   2.548000000
   1.017000000
   .039806118300  -.012772748700   .004563422960
   .190044082000  -.064874914000   .023229883600
   .447437156000  -.191689315000   .072294055200
   .418544251000  -.264738609000   .107580991000
   .068441847900   .290278711000  -.147362378000
  -.030030419600   .655537112000  -.553650452000
   .016936741900   .205098643000  -.066367077600
   .000841563844   .010577804200   .821374531000
   .002400154200   .000910339361   .409192540000
    6    2
  85.1753411      9.19939212
   253.7000000
   63.84000000
   21.18000000
   7.292000000
   2.767000000
   1.005000000
   .095108072200  -.037239033200
   .392799760000  -.165730998000
   .543920921000  -.240469363000
   .157091667000   .206523887000
  -.008466813830   .646805658000
   .004182541620   .300886267000
    4    1
  2.55080552
   23.34600000
   6.369200000
   1.981000000
   .6161200000
   .146126461000
   .418673372000
   .505299027000
   .244602343000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Barandiaran.0s.0s.0e-AIMP-K2NaGaF6-60Kbar.
Z.Barandiaran, L.Seijo, L.G.M.Pettersson, J.Chem.Phys 98(1993)4041.
From a SCEI calculation in K2NaGaF6 with a=8.000A x=0.235.
 -1.000    0
    0    0
*
* External AIMP: F(K2NAGAF6)/P=60
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   219000.0000
   21540.00000
   3639.000000
   821.6000000
   232.6000000
   71.50000000
   23.13000000
   7.374000000
   2.422000000
   .8643000000
   .3446000000

  -.059515662100
  -.100783473000
  -.205363157000
  -.384621022000
  -.675653018000
 -1.081585570000
  -.960100171000
 -1.384972470000
 -2.990443690000
 -2.117240620000
  -.039721138200
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  51.7291385      2.78211564
   205.9000000
   37.19000000
   9.880000000
   1.713000000
   .6486000000
   .2108000000
   .120781286000  -.027892268200
   .458940994000  -.125819987000
   .521963490000  -.215788583000
   .063905617900   .258690239000
  -.024846544700   .640589126000
   .007056709040   .232565933000
    4    1
  .994086176
   7.968000000
   1.778000000
   .4582000000
   .1109000000
   .160996711000
   .433224351000
   .601221492000
   .023901262700
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.1.2. Cs2NaYCl6                                                     *
********************************************************************************
*
********************************************************************************
*           E.1.2.a. Cs2NaYCl6 (a=10.7396 A, x=0.2439)                         *
********************************************************************************
*             /Cs.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                         *
*             /Na.ECP.Abdalla.7s4p.1s1p.0e-AIMP-Cs2NaYCl6.                     *
*             /Na.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                         *
*             /Y.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                          *
*             /Cl.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.                         *
********************************************************************************
*     Cs2NaYCl6
*     P=1bar a0=10.7396 A, x=0.2439 (C.Reber, H.U.Gudel,et al. IC 18(1989)3249.)
*     Oh5-Fm3m
********************************************************************************
/Cs.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.
A. Abdalla, Z.Barandiaran, L.Seijo, R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439.
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  412200.0000      66070.00000      16111.00000      4829.000000
  1593.200000      499.0000000      202.9000000      59.38000000
  27.75000000      7.896000000      4.315000000      1.866000000
 0.7166000000     0.3904000000     0.2499000000
 0.4963248087     0.5916492158      1.032472864      1.673707221
  2.263118936      3.270320536      6.074078196      4.558845556
  11.43943895      1.735297540      11.59638454      2.751587152
  4.300327557      2.078817731     0.1376291992
M2
    0
COREREP
   1.000
PROJOP
    2
   11    5    2    2    2    2    2
  2663.571540      425.8016310      92.04998600      19.03992570
  2.389234228
  33313.72970      3974.353370      773.5431020      68.95959780
  23.82251990      14.68367750      7.100338070      4.198977640
  1.836810800     0.3628488660     0.1568368940
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001223169883
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008555167448
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029184134332
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144864003673
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104451062080
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.341950206814
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.374707141411
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301130527181
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.840056480104
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.906222237003
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.378750467329
   10    4    6    6    6    6
  381.9007070      77.53220420      14.19044920      1.157298465
  1835.939350      412.7449050      125.9339220      18.54755560
  8.381149310      4.592322460      2.150344150     0.4615536950
 0.2062279720     0.9242510220E-01
  0.056520125787  0.021686907394  0.009272738120  0.002895499452
  0.171899236514  0.111813193543  0.053187300783  0.018930354058
  0.737178558440  0.339659458519  0.151122413823  0.050175892731
  0.444446974330 -0.562858154294 -0.442982860886 -0.152517025449
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108832042831
  0.324536875925 -0.003463784316  0.271144558213  0.197253425588
 -0.106213989013 -0.023768939091  0.842773248291  0.361981058338
  0.032403023471  0.005853287609  0.149950755473 -0.508199018888
 -0.024513628795 -0.004775439839 -0.078570531972 -0.573395258674
  0.008754292582  0.001732365898  0.025020547459 -0.044867697368
    7    2   10   10
  56.10083890      6.874997900
  214.3000000      64.91000000      24.62000000      10.31500000
  4.144000000      1.725000000     0.6684000000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Abdalla.7s4p.1s1p.0e-AIMP-Cs2NaYCl6.
A. Abdalla, Z.Barandiaran, L.Seijo, and R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439.
* with orthogonality functions
  1.000    1
    7    1
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  -0.004632838193
  -0.034648646009
  -0.126685829324
  -0.151515821411
  -0.073185517808
   0.597657653894
   0.514793252355
    4    1
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769892014
 -0.230470381043
 -0.510539265776
 -0.448800489924
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886201748E-01 0.1082777579     0.2019124654     0.3809860901
 0.5842014172     0.9773854931     0.9985293046      1.551019850
  2.516003893      1.869595026     0.7432266851
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.55387988      5.298400506
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020758085 -0.004632838193
  0.133425663212 -0.034648646009
  0.445452854965 -0.126685829324
  0.470476037405 -0.151515821411
  0.051252902056 -0.073185517808
  0.045587956700  0.597657653894
 -0.013867882109  0.514793252355
    4    1    6
  2.739692677
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769892014
 -0.230470381043
 -0.510539265776
 -0.448800489924
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.
A. Abdalla, Z.Barandiaran, L.Seijo, R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439.
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886201748E-01 0.1082777579     0.2019124654     0.3809860901
 0.5842014172     0.9773854931     0.9985293046      1.551019850
  2.516003893      1.869595026     0.7432266851
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.55387988      5.298400506
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020758085 -0.004632838193
  0.133425663212 -0.034648646009
  0.445452854965 -0.126685829324
  0.470476037405 -0.151515821411
  0.051252902056 -0.073185517808
  0.045587956700  0.597657653894
 -0.013867882109  0.514793252355
    4    1    6
  2.739692677
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769892014
 -0.230470381043
 -0.510539265776
 -0.448800489924
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.
A. Abdalla, Z.Barandiaran, L.Seijo, and R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439.
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  391760.0000      63830.00000      15627.00000      4551.800000
  1464.800000      497.6800000      182.5700000      82.10400000
  29.15900000      11.05820000      4.877000000      1.386200000
 0.7052500000
 0.9944707751E-01 0.1152077147     0.2060279022     0.3580661849
 0.5654137875     0.6494060229     0.9946509682      1.544381488
  1.041110888      3.277375682     0.9718568196      1.628818978
 0.5482364857
M2
    0
COREREP
   1.000
PROJOP
    2
   13    4    2    2    2    2
  1232.187548      171.8246650      29.79744235      4.559917998
  22517.10490      3391.918900      768.9299900      207.1223170
  309.5463010      35.21428790      14.98494400      27.52608110
  4.734677850      2.109400820      3.440439540     0.6786342260
 0.2947809880
  0.016560923614  0.005796371285  0.002409900080 -0.000903892913
  0.116515443603  0.040780743112  0.016955007061 -0.006359396748
  0.428179542435  0.149864081414  0.062307509982 -0.023369980026
  0.553166816265  0.193609989671  0.080495314489 -0.030191768093
 -0.001339407369  0.116123585862  0.057624734578 -0.022413273509
  0.007737803133 -0.670850009575 -0.332900103425  0.129482263541
  0.005134622890 -0.445160177307 -0.220904623912  0.085921363306
  0.036252338895  0.003158834974 -0.276207545552  0.131635017666
 -0.113099592205 -0.009854893732  0.861708836391 -0.410673277136
 -0.052487589149 -0.004573487872  0.399904354108 -0.190586454156
  0.145272453096 -0.003975288273 -0.001197106851 -0.339108547488
  0.006901107749  0.004161303156  0.004452345485  0.936458187309
 -0.001818263141 -0.001717001541  0.001180814641  0.364977472886
   10    3    6    6    6
  156.5954362      23.99687465      2.816984434
  981.4297120      230.9750870      72.08684850      24.82378740
  11.44808270      4.716449610      2.023746630      1.100792660
 0.4804636130     0.1967857670
  0.026051339293  0.012283145974 -0.004362271404
  0.171614868229  0.080916011807 -0.028736742619
  0.491725916373  0.231847627573 -0.082339026005
  0.456213851129  0.215103771285 -0.076392565251
  0.014986686137 -0.362454259681  0.171208821206
  0.025261325503 -0.610947273477  0.288586931226
  0.009002364787 -0.217722946513  0.102843567226
 -0.019469564321  0.001898866181 -0.449607497262
  0.011852721050 -0.005587579480 -0.649805058463
 -0.003862166754  0.001399425574 -0.082668984172
    7    1   10
  13.47319001
  94.59558890      26.71735310      8.935796000      2.972978130
  1.478689890     0.4818253610     0.1425757710
 -0.047834675193
 -0.250215431475
 -0.528869592675
 -0.398526331470
 -0.020134893174
 -0.025891655357
  0.006587232231
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYCl6.
A. Abdalla, Z.Barandiaran, L.Seijo, R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYCl6 with a=10.7396 A, x=0.2439.
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  365100.0000      53630.00000      12063.00000      3276.000000
  1036.400000      359.2000000      124.4000000      46.91000000
  17.98000000      6.987000000      1.446000000     0.5872000000
 0.2124000000
 -.1003101684     -.1273450561     -.2297227625     -.4148123528
 -.6519837456     -1.138914165     -1.272932887     -1.279445140
 -3.415419246     -2.795224666     -2.397730342     -3.621231258
 -.5549282110
M2
    0
COREREP
   1.000
PROJOP
    1
    9    3    2    2    2
  208.3381528      20.79521843      1.922778020
  1364.961500      206.0373000      44.78080200      59.37822900
  5.180495200      2.022433600      3.425198000     0.4591995100
 0.1496382500
 -0.065292470237  0.018782009075 -0.005509623725
 -0.363440619600  0.116632636299 -0.034559516327
 -0.487682604365  0.205846115555 -0.063175802255
 -0.153081127672  0.092407167661 -0.028830737461
 -0.358732226176 -0.653486883692  0.259505909241
 -0.167377876791 -0.405900031149  0.220264381377
  0.432776111008 -0.031503798397  0.104492816016
  0.020921350150 -0.014136931312 -0.760444721254
 -0.006695300820  0.001532133095 -0.436320429291
    6    2    6    6
  15.68596334     0.7326287391
  63.76258100      14.19345700      3.795566700      1.041159100
 0.9954514000E-01 0.3525002600
  0.100441672053  0.025918688189
  0.457173582762  0.126063215201
  0.578083738553  0.158867930615
  0.067802353352 -0.221708443719
 -0.000351738547 -0.269379001290
 -0.000577935968 -0.676818149834
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


*
********************************************************************************
*           E.1.2.b Cs2NaYCl6 Delta-a/a=-0.6% (a=10.6752 A, x=0.2439)          *
********************************************************************************
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0006a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.                     *
********************************************************************************
*     Cs2NaYCl6 with   Delta.a/a0 = - 0.6% (a=10.6752 A, x=0.2439)
*     P=1bar a0=10.7396 A, x=0.2439 (C.Reber, H.U.Gudel,et al. IC 18(1989)3249.)
*     Oh5-Fm3m
********************************************************************************
/Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  412200.0000      66070.00000      16111.00000      4829.000000
  1593.200000      499.0000000      202.9000000      59.38000000
  27.75000000      7.896000000      4.315000000      1.866000000
 0.7166000000     0.3904000000     0.2499000000
 0.4963260046     0.5916505208      1.032475407      1.673710621
  2.263125944      3.270330444      6.074095678      4.558874251
  11.43948412      1.735338218      11.59656679      2.751726806
  4.297552709      2.090416151     0.1283263357
M2
    0
COREREP
   1.000
PROJOP
    2
   11    5    2    2    2    2    2
  2663.571540      425.8016310      92.04998600      19.03992570
  2.384903837
  33313.72970      3974.353370      773.5431020      68.95959780
  23.82251990      14.68367750      7.100338070      4.198977640
  1.836810800     0.3628488660     0.1568368940
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001223335690
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008556327145
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029188090389
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144883799685
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104465335567
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.341998598884
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.374760169173
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301178959517
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.840191590608
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.906640691475
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.378391597048
   10    4    6    6    6    6
  381.9007070      77.53220420      14.19044920      1.152966648
  1835.939350      412.7449050      125.9339220      18.54755560
  8.381149310      4.592322460      2.150344150     0.4615536950
 0.2062279720     0.9242510220E-01
  0.056520125787  0.021686907394  0.009272738120  0.002895558318
  0.171899236514  0.111813193543  0.053187300783  0.018930738914
  0.737178558440  0.339659458519  0.151122413823  0.050176912813
  0.444446974330 -0.562858154294 -0.442982860886 -0.152517795047
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108832591996
  0.324536875925 -0.003463784316  0.271144558213  0.197243547616
 -0.106213989013 -0.023768939091  0.842773248291  0.361962931206
  0.032403023471  0.005853287609  0.149950755473 -0.507346583195
 -0.024513628795 -0.004775439839 -0.078570531972 -0.576101811308
  0.008754292582  0.001732365898  0.025020547459 -0.042310402219
    7    2   10   10
  56.10083890      6.874997900
  214.3000000      64.91000000      24.62000000      10.31500000
  4.144000000      1.725000000     0.6684000000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0006a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
* with orthogonality functions
  1.000    1
    7    1
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  -0.004632914361
  -0.034648994695
  -0.126689242969
  -0.151529817247
  -0.073176859368
   0.597692012354
   0.514762230322
    4    1
  38.80258600      8.675519400      2.410155500     0.6599204300
  0.042769735200
  0.230468558131
  0.510538695998
  0.448802676914
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886207209E-01 0.1082778181     0.2019126677     0.3809862587
 0.5842021637     0.9773858107     0.9985297543      1.551012244
  2.516038938      1.869572028     0.7432202449
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.54907104      5.293587088
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020757290 -0.004632914361
  0.133425665079 -0.034648994695
  0.445452781333 -0.126689242969
  0.470475619931 -0.151529817247
  0.051253273584 -0.073176859368
  0.045588368934  0.597692012354
 -0.013868273640  0.514762230322
    4    1    6
  2.734937479
  38.80258600      8.675519400      2.410155500     0.6599204300
  0.042769735200
  0.230468558131
  0.510538695998
  0.448802676914
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886207209E-01 0.1082778181     0.2019126677     0.3809862587
 0.5842021637     0.9773858107     0.9985297543      1.551012244
  2.516038938      1.869572028     0.7432202449
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.54907104      5.293587088
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020757290 -0.004632914361
  0.133425665079 -0.034648994695
  0.445452781333 -0.126689242969
  0.470475619931 -0.151529817247
  0.051253273584 -0.073176859368
  0.045588368934  0.597692012354
 -0.013868273640  0.514762230322
    4    1    6
  2.734937479
  38.80258600      8.675519400      2.410155500     0.6599204300
  0.042769735200
  0.230468558131
  0.510538695998
  0.448802676914
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  391760.0000      63830.00000      15627.00000      4551.800000
  1464.800000      497.6800000      182.5700000      82.10400000
  29.15900000      11.05820000      4.877000000      1.386200000
 0.7052500000
 0.9944669798E-01 0.1152111607     0.2060222321     0.3580812896
 0.5653910137     0.6494580877     0.9945579385      1.544538945
  1.040890377      3.277869701     0.9711833662      1.630499384
 0.5468498066
M2
    0
COREREP
   1.000
PROJOP
    2
   13    4    2    2    2    2
  1232.176354      171.8135683      29.78646177      4.548758806
  22517.10490      3391.918900      768.9299900      207.1223170
  309.5463010      35.21428790      14.98494400      27.52608110
  4.734677850      2.109400820      3.440439540     0.6786342260
 0.2947809880
  0.016560923553  0.005796371214  0.002409901557 -0.000904137415
  0.116515443173  0.040780742608  0.016955017458 -0.006361116955
  0.428179540855  0.149864079559  0.062307548189 -0.023376301570
  0.553166814223  0.193609987274  0.080495363849 -0.030199934920
 -0.001339408346  0.116123618447  0.057623980598 -0.022424865224
  0.007737808773 -0.670850197819 -0.332895747653  0.129549229287
  0.005134626632 -0.445160302222 -0.220901733524  0.085965800188
  0.036252343599  0.003159055542 -0.276211806774  0.131644911103
 -0.113099606879 -0.009855581859  0.861722130497 -0.410704142555
 -0.052487595959 -0.004573807220  0.399910523676 -0.190600778270
  0.145272458225 -0.003973802691 -0.001230226190 -0.339486594097
  0.006901150139  0.004159356520  0.004503629186  0.937683270500
 -0.001818303541 -0.001714988404  0.001129949832  0.363929221390
   10    3    6    6    6
  156.5843129      23.98587654      2.806544633
  981.4297120      230.9750870      72.08684850      24.82378740
  11.44808270      4.716449610      2.023746630      1.100792660
 0.4804636130     0.1967857670
 -0.026051337760 -0.012283123201 -0.004362350562
 -0.171614858129 -0.080915861788 -0.028737264076
 -0.491725887431 -0.231847197725 -0.082340520129
 -0.456213824277 -0.215103372480 -0.076393951470
 -0.014986739732  0.362453294051  0.171206330522
 -0.025261415843  0.610945645825  0.288582732967
 -0.009002396981  0.217722366468  0.102842071095
  0.019469779637 -0.001898442121 -0.449241351203
 -0.011852973796  0.005602333684 -0.650907437888
  0.003862326159 -0.001416295900 -0.081625115835
    7    1   10
  13.46217766
  94.59558890      26.71735310      8.935796000      2.972978130
  1.478689890     0.4818253610     0.1425757710
  0.047834345543
  0.250213707131
  0.528866548794
  0.398524804404
  0.020143303788
  0.025897100073
 -0.006590056794
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0006a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.6752 A, x=0.2439
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  365100.0000      53630.00000      12063.00000      3276.000000
  1036.400000      359.2000000      124.4000000      46.91000000
  17.98000000      6.987000000      1.446000000     0.5872000000
 0.2124000000
 -.1003202302     -.1273449448     -.2297616906     -.4147962509
 -.6521123136     -1.138847403     -1.273295150     -1.279257695
 -3.416303393     -2.795141943     -2.398647622     -3.632325985
 -.5418453801
M2
    0
COREREP
   1.000
PROJOP
    1
    9    3    2    2    2
  208.3312139      20.78922948      1.920447142
  1364.961500      206.0373000      44.78080200      59.37822900
  5.180495200      2.022433600      3.425198000     0.4591995100
 0.1496382500
 -0.065292435159  0.018781745321  0.005510977724
 -0.363440438305  0.116631060255  0.034573122882
 -0.487683518047  0.205845593447  0.063273940763
 -0.153079967500  0.092403477855  0.028775345933
 -0.358735313604 -0.653449563074 -0.260529240421
 -0.167379261510 -0.405888112577 -0.222573871432
  0.432779707755 -0.031534453087 -0.102039622200
  0.020921550165 -0.014173588463  0.762492059555
 -0.006695181364  0.001548332595  0.434827206018
    6    2    6    6
  15.67992324     0.7300242803
  63.76258100      14.19345700      3.795566700      1.041159100
 0.9954514000E-01 0.3525002600
  0.100439681354 -0.025932498954
  0.457163958155 -0.126163321279
  0.578083773698 -0.158835802312
  0.067818352848  0.220954470193
 -0.000358726011  0.265893033069
 -0.000570953943  0.679976238402
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.1.2.c Cs2NaYCl6 Delta-a/a=-1.8% (a=10.5463 A, x=0.2439)          *
********************************************************************************
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0018a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.                     *
********************************************************************************
*     Cs2NaYCl6 with   Delta.a/a0 = - 1.8% (a=10.5463 A, x=0.2439)
*     P=1bar a0=10.7396 A, x=0.2439 (C.Reber, H.U.Gudel,et al. IC 18(1989)3249.)
*     Oh5-Fm3m
********************************************************************************
/Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  412200.0000      66070.00000      16111.00000      4829.000000
  1593.200000      499.0000000      202.9000000      59.38000000
  27.75000000      7.896000000      4.315000000      1.866000000
 0.7166000000     0.3904000000     0.2499000000
 0.4963285170     0.5916532422      1.032480778      1.673717680
  2.263140741      3.270351042      6.074132631      4.558933241
  11.43958121      1.735408589      11.59699010      2.751911573
  4.292194995      2.113780741     0.1093949120
M2
    0
COREREP
   1.000
PROJOP
    2
   11    5    2    2    2    2    2
  2663.571540      425.8016310      92.04998600      19.03992570
  2.376049806
  33313.72970      3974.353370      773.5431020      68.95959780
  23.82251990      14.68367750      7.100338070      4.198977640
  1.836810800     0.3628488660     0.1568368940
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001223698587
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008558865343
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029196748912
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144927128017
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104496576526
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.342104544499
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.374876263791
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301285065024
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.840487590552
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.907558401619
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.377604472161
   10    4    6    6    6    6
  381.9007070      77.53220420      14.19044920      1.144102869
  1835.939350      412.7449050      125.9339220      18.54755560
  8.381149310      4.592322460      2.150344150     0.4615536950
 0.2062279720     0.9242510220E-01
  0.056520125787  0.021686907394  0.009272738120 -0.002895695828
  0.171899236514  0.111813193543  0.053187300783 -0.018931637930
  0.737178558440  0.339659458519  0.151122413823 -0.050179295701
  0.444446974330 -0.562858154294 -0.442982860886  0.152520291581
 -0.460759081787 -0.485193638558 -0.216995649630  0.108834373455
  0.324536875925 -0.003463784316  0.271144558213 -0.197224592505
 -0.106213989013 -0.023768939091  0.842773248291 -0.361928146558
  0.032403023471  0.005853287609  0.149950755473  0.505600979462
 -0.024513628795 -0.004775439839 -0.078570531972  0.581677886287
  0.008754292582  0.001732365898  0.025020547459  0.037023149744
    7    2   10   10
  56.10083890      6.874997900
  214.3000000      64.91000000      24.62000000      10.31500000
  4.144000000      1.725000000     0.6684000000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0018a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
* with orthogonality functions
  1.000    1
    7    1
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  -0.004633078573
  -0.034649747004
  -0.126696594726
  -0.151559969324
  -0.073158204229
   0.597765866759
   0.514695552510
    4    1
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769457063
 -0.230464832006
 -0.510538670725
 -0.448805813276
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886221221E-01 0.1082779756     0.2019131797     0.3809866997
 0.5842040046     0.9773866283     0.9985314197      1.550996907
  2.516119823      1.869519388     0.7432017624
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.53925368      5.283769779
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020755394 -0.004633078573
  0.133425666976 -0.034649747004
  0.445452621336 -0.126696594726
  0.470474757134 -0.151559969324
  0.051254035913 -0.073158204229
  0.045589255314  0.597765866759
 -0.013869084074  0.514695552510
    4    1    6
  2.725234955
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769457063
 -0.230464832006
 -0.510538670725
 -0.448805813276
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886221221E-01 0.1082779756     0.2019131797     0.3809866997
 0.5842040046     0.9773866283     0.9985314197      1.550996907
  2.516119823      1.869519388     0.7432017624
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.53925368      5.283769779
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020755394 -0.004633078573
  0.133425666976 -0.034649747004
  0.445452621336 -0.126696594726
  0.470474757134 -0.151559969324
  0.051254035913 -0.073158204229
  0.045589255314  0.597765866759
 -0.013869084074  0.514695552510
    4    1    6
  2.725234955
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769457063
 -0.230464832006
 -0.510538670725
 -0.448805813276
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  391760.0000      63830.00000      15627.00000      4551.800000
  1464.800000      497.6800000      182.5700000      82.10400000
  29.15900000      11.05820000      4.877000000      1.386200000
 0.7052500000
 0.9944595137E-01 0.1152180370     0.2060109553     0.3581114167
 0.5653456952     0.6495618316     0.9943726642      1.544853093
  1.040450605      3.278856447     0.9698374019      1.633869420
 0.5440664809
M2
    0
COREREP
   1.000
PROJOP
    2
   13    4    2    2    2    2
  1232.153594      171.7910012      29.76412857      4.525982819
  22517.10490      3391.918900      768.9299900      207.1223170
  309.5463010      35.21428790      14.98494400      27.52608110
  4.734677850      2.109400820      3.440439540     0.6786342260
 0.2947809880
  0.016560923437  0.005796371095  0.002409904944 -0.000904642453
  0.116515442356  0.040780741774  0.016955041283 -0.006364670183
  0.428179537853  0.149864076495  0.062307635744 -0.023389359232
  0.553166810346  0.193609983316  0.080495476962 -0.030216804164
 -0.001339410411  0.116123685136  0.057622420701 -0.022448668896
  0.007737820705 -0.670850583082 -0.332886736076  0.129686743927
  0.005134634550 -0.445160557873 -0.220895753655  0.086057051646
  0.036252351081  0.003159495979 -0.276220718068  0.131666114192
 -0.113099630221 -0.009856955930  0.861749931839 -0.410770291687
 -0.052487606791 -0.004574444903  0.399923425803 -0.190631476952
  0.145272459689 -0.003970783140 -0.001298955672 -0.340262161141
  0.006901237993  0.004155296707  0.004609706350  0.940210253785
 -0.001818387624 -0.001710798506  0.001024334847  0.361766305074
   10    3    6    6    6
  156.5616914      23.96350415      2.785290812
  981.4297120      230.9750870      72.08684850      24.82378740
  11.44808270      4.716449610      2.023746630      1.100792660
 0.4804636130     0.1967857670
 -0.026051334705 -0.012283077140  0.004362480806
 -0.171614838008 -0.080915558354  0.028738122068
 -0.491725829779 -0.231846328297  0.082342978523
 -0.456213770789 -0.215102565841  0.076396232320
 -0.014986846373  0.362451339745 -0.171200115450
 -0.025261595594  0.610942351677 -0.288572256939
 -0.009002461039  0.217721192534 -0.102838337759
  0.019470202514 -0.001897424733  0.448498208082
 -0.011853464568  0.005631938700  0.653125444032
  0.003862637153 -0.001450571284  0.079530042567
    7    1   10
  13.43977744
  94.59558890      26.71735310      8.935796000      2.972978130
  1.478689890     0.4818253610     0.1425757710
  0.047833684335
  0.250210248456
  0.528860448217
  0.398521681261
  0.020160216072
  0.025908069593
 -0.006595376626
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0018a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.5463 A, x=0.2439
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  365100.0000      53630.00000      12063.00000      3276.000000
  1036.400000      359.2000000      124.4000000      46.91000000
  17.98000000      6.987000000      1.446000000     0.5872000000
 0.2124000000
 -.1003416116     -.1273432711     -.2298462164     -.4147558356
 -.6523931925     -1.138686477     -1.274086973     -1.278803603
 -3.418246712     -2.794845401     -2.400884467     -3.654709722
 -.5150565183
M2
    0
COREREP
   1.000
PROJOP
    1
    9    3    2    2    2
  208.3167088      20.77671565      1.915437517
  1364.961500      206.0373000      44.78080200      59.37822900
  5.180495200      2.022433600      3.425198000     0.4591995100
 0.1496382500
 -0.065292362317  0.018781198956 -0.005514158965
 -0.363440060865  0.116627792528 -0.034603893718
 -0.487685395423  0.205844468978 -0.063485100707
 -0.153077581693  0.092395874021 -0.028659954911
 -0.358741700544 -0.653372310858  0.262709684286
 -0.167382113017 -0.405862929170  0.227472520581
  0.432787141203 -0.031598067890  0.096860238316
  0.020921940907 -0.014250598406 -0.766949594543
 -0.006694913412  0.001582945816 -0.431551652103
    6    2    6    6
  15.66729419     0.7244969090
  63.76258100      14.19345700      3.795566700      1.041159100
 0.9954514000E-01 0.3525002600
 -0.100435495424  0.025961675347
 -0.457143764806  0.126371970262
 -0.578083730759  0.158777917628
 -0.067852214768 -0.219421503670
  0.000373596197 -0.258694003232
  0.000556446694 -0.686459614962
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.1.2.d Cs2NaYCl6 Delta-a/a=-3.1% (a=10.4067 A, x=0.2439)          *
********************************************************************************
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0031a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.                     *
********************************************************************************
*     Cs2NaYCl6 with   Delta.a/a0 = - 3.1% (a=10.4067 A, x=0.2439)
*     P=1bar a0=10.7396 A, x=0.2439 (C.Reber, H.U.Gudel,et al. IC 18(1989)3249.)
*     Oh5-Fm3m
********************************************************************************
/Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  412200.0000      66070.00000      16111.00000      4829.000000
  1593.200000      499.0000000      202.9000000      59.38000000
  27.75000000      7.896000000      4.315000000      1.866000000
 0.7166000000     0.3904000000     0.2499000000
 0.4963313700     0.5916565620      1.032486556      1.673726669
  2.263156386      3.270377351      6.074172354      4.558999495
  11.43971319      1.735258953      11.59808287      2.751157693
  4.287849843      2.138116728     0.8891398837E-01
M2
    0
COREREP
   1.000
PROJOP
    2
   11    5    2    2    2    2    2
  2663.571540      425.8016310      92.04998600      19.03992570
  2.366178955
  33313.72970      3974.353370      773.5431020      68.95959780
  23.82251990      14.68367750      7.100338070      4.198977640
  1.836810800     0.3628488660     0.1568368940
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001224142438
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008561969750
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029207338938
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144980124112
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104534788216
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.342234179319
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.375018316908
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301415023992
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.840850133911
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.908684150860
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.376638744468
   10    4    6    6    6    6
  381.9007070      77.53220420      14.19044920      1.134207309
  1835.939350      412.7449050      125.9339220      18.54755560
  8.381149310      4.592322460      2.150344150     0.4615536950
 0.2062279720     0.9242510220E-01
  0.056520125787  0.021686907394  0.009272738120  0.002895881082
  0.171899236514  0.111813193543  0.053187300783  0.018932849097
  0.737178558440  0.339659458519  0.151122413823  0.050182505964
  0.444446974330 -0.562858154294 -0.442982860886 -0.152524826361
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108837609352
  0.324536875925 -0.003463784316  0.271144558213  0.197205967828
 -0.106213989013 -0.023768939091  0.842773248291  0.361893968289
  0.032403023471  0.005853287609  0.149950755473 -0.503662875509
 -0.024513628795 -0.004775439839 -0.078570531972 -0.587930647605
  0.008754292582  0.001732365898  0.025020547459 -0.031061445269
    7    2   10   10
  56.10083890      6.874997900
  214.3000000      64.91000000      24.62000000      10.31500000
  4.144000000      1.725000000     0.6684000000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0031a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
* with orthogonality functions
  1.000    1
    7    1
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  -0.004633276197
  -0.034650655842
  -0.126705416281
  -0.151596096952
  -0.073135885982
   0.597854365176
   0.514615648050
    4    1
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769211094
 -0.230460713796
 -0.510540342517
 -0.448807290269
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886241449E-01 0.1082782083     0.2019139078     0.3809873539
 0.5842065559     0.9773878406     0.9985344239      1.550980241
  2.516224762      1.869451403     0.7431728885
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.52831508      5.272843730
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020752854 -0.004633276197
  0.133425666113 -0.034650655842
  0.445452427579 -0.126705416281
  0.470473776991 -0.151596096952
  0.051254893618 -0.073135885982
  0.045590315381  0.597854365176
 -0.013870008042  0.514615648050
    4    1    6
  2.714431676
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769211094
 -0.230460713796
 -0.510540342517
 -0.448807290269
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886241449E-01 0.1082782083     0.2019139078     0.3809873539
 0.5842065559     0.9773878406     0.9985344239      1.550980241
  2.516224762      1.869451403     0.7431728885
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.52831508      5.272843730
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020752854 -0.004633276197
  0.133425666113 -0.034650655842
  0.445452427579 -0.126705416281
  0.470473776991 -0.151596096952
  0.051254893618 -0.073135885982
  0.045590315381  0.597854365176
 -0.013870008042  0.514615648050
    4    1    6
  2.714431676
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769211094
 -0.230460713796
 -0.510540342517
 -0.448807290269
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  391760.0000      63830.00000      15627.00000      4551.800000
  1464.800000      497.6800000      182.5700000      82.10400000
  29.15900000      11.05820000      4.877000000      1.386200000
 0.7052500000
 0.9944494405E-01 0.1152261444     0.2059972359     0.3581470065
 0.5652914558     0.6496817035     0.9941664473      1.545179420
  1.040048274      3.279757426     0.9685377412      1.637420511
 0.5411016910
M2
    0
COREREP
   1.000
PROJOP
    2
   13    4    2    2    2    2
  1232.128424      171.7660380      29.73941562      4.500645396
  22517.10490      3391.918900      768.9299900      207.1223170
  309.5463010      35.21428790      14.98494400      27.52608110
  4.734677850      2.109400820      3.440439540     0.6786342260
 0.2947809880
  0.016560923326  0.005796371030 -0.002409909432 -0.000905210241
  0.116515441577  0.040780741315 -0.016955072859 -0.006368664889
  0.428179534991  0.149864074807 -0.062307751780 -0.023404039274
  0.553166806648  0.193609981136 -0.080495626869 -0.030235769367
 -0.001339412820  0.116123758852 -0.057620660439 -0.022475198969
  0.007737834621 -0.670851008942  0.332876566981  0.129840009089
  0.005134643785 -0.445160840464  0.220889005685  0.086158754778
  0.036252355207  0.003159958609  0.276230970305  0.131691231428
 -0.113099643093 -0.009858399237 -0.861781916641 -0.410848652123
 -0.052487612765 -0.004575114717 -0.399938269404 -0.190667842692
  0.145272443828 -0.003967495351  0.001376928007 -0.341125471977
  0.006901337282  0.004150658669 -0.004729275632  0.943046441593
 -0.001818483408 -0.001706024281 -0.000904470063  0.359337635978
   10    3    6    6    6
  156.5366677      23.93874286      2.761735140
  981.4297120      230.9750870      72.08684850      24.82378740
  11.44808270      4.716449610      2.023746630      1.100792660
 0.4804636130     0.1967857670
  0.026051331489  0.012283027248  0.004362560866
  0.171614816817  0.080915229688  0.028738649467
  0.491725769062  0.231845386575  0.082344489673
  0.456213714456  0.215101692130  0.076397634337
  0.014986958632 -0.362449224269 -0.171190805221
  0.025261784816 -0.610938785864 -0.288556563760
  0.009002528472 -0.217719921787 -0.102832745189
 -0.019470641814  0.001896180209  0.447676781901
  0.011853964686 -0.005663943538  0.655535399108
 -0.003862955384  0.001488258884  0.077265798972
    7    1   10
  13.41498789
  94.59558890      26.71735310      8.935796000      2.972978130
  1.478689890     0.4818253610     0.1425757710
  0.047832977985
  0.250206553657
  0.528853898673
  0.398518302118
  0.020178289943
  0.025920029887
 -0.006600554804
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0031a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.4067 A, x=0.2439
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  365100.0000      53630.00000      12063.00000      3276.000000
  1036.400000      359.2000000      124.4000000      46.91000000
  17.98000000      6.987000000      1.446000000     0.5872000000
 0.2124000000
 -.1003667412     -.1273390462     -.2299483914     -.4146985988
 -.6527353564     -1.138467409     -1.275052176     -1.278182211
 -3.420632041     -2.794306939     -2.403970586     -3.679136506
 -.4851639967
M2
    0
COREREP
   1.000
PROJOP
    1
    9    3    2    2    2
  208.3000523      20.76235825      1.909474743
  1364.961500      206.0373000      44.78080200      59.37822900
  5.180495200      2.022433600      3.425198000     0.4591995100
 0.1496382500
 -0.065292279401  0.018780579077  0.005518380579
 -0.363439629498  0.116624079975  0.034642999321
 -0.487687494672  0.205843113182  0.063737299024
 -0.153074907969  0.092387318061  0.028528112289
 -0.358748936807 -0.653284572121 -0.265280370308
 -0.167385320249 -0.405833224528 -0.233212436623
  0.432795548308 -0.031670854869 -0.090829731227
  0.020922347972 -0.014339877484  0.772356534532
 -0.006694578025  0.001624017149  0.427539543085
    6    2    6    6
  15.65279072     0.7180270946
  63.76258100      14.19345700      3.795566700      1.041159100
 0.9954514000E-01 0.3525002600
  0.100430637900  0.025995685100
  0.457120399028  0.126610707032
  0.578083503549  0.158726177134
  0.067891860229 -0.217729166403
 -0.000391151338 -0.250560106797
 -0.000539912312 -0.693722053744
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.1.2.e Cs2NaYCl6 Delta-a/a=-3.6% (a=10.3530 A, x=0.2439)          *
********************************************************************************
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                     *
*             /Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0036a.                 *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                     *
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                      *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.                     *
********************************************************************************
*     Cs2NaYCl6 with   Delta.a/a0 = - 3.6% (a=10.3530 A, x=0.2439)
*     P=1bar a0=10.7396 A, x=0.2439 (C.Reber, H.U.Gudel,et al. IC 18(1989)3249.)
*     Oh5-Fm3m
********************************************************************************
/Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  412200.0000      66070.00000      16111.00000      4829.000000
  1593.200000      499.0000000      202.9000000      59.38000000
  27.75000000      7.896000000      4.315000000      1.866000000
 0.7166000000     0.3904000000     0.2499000000
 0.4963325416     0.5916578162      1.032489082      1.673729900
  2.263163332      3.270386835      6.074189701      4.559025899
  11.43976053      1.735275792      11.59832508      2.751118658
  4.285910763      2.147817589     0.8081647879E-01
M2
    0
COREREP
   1.000
PROJOP
    2
   11    5    2    2    2    2    2
  2663.571540      425.8016310      92.04998600      19.03992570
  2.362297505
  33313.72970      3974.353370      773.5431020      68.95959780
  23.82251990      14.68367750      7.100338070      4.198977640
  1.836810800     0.3628488660     0.1568368940
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001224328688
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008563272431
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029211782756
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.145002363193
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104550823225
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.342288594248
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.375077944486
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301469615077
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.841002425329
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.909157580492
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.376232556288
   10    4    6    6    6    6
  381.9007070      77.53220420      14.19044920      1.130311273
  1835.939350      412.7449050      125.9339220      18.54755560
  8.381149310      4.592322460      2.150344150     0.4615536950
 0.2062279720     0.9242510220E-01
  0.056520125787  0.021686907394  0.009272738120  0.002895964502
  0.171899236514  0.111813193543  0.053187300783  0.018933394481
  0.737178558440  0.339659458519  0.151122413823  0.050183951531
  0.444446974330 -0.562858154294 -0.442982860886 -0.152527196726
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108839300780
  0.324536875925 -0.003463784316  0.271144558213  0.197199520222
 -0.106213989013 -0.023768939091  0.842773248291  0.361882136246
  0.032403023471  0.005853287609  0.149950755473 -0.502906541584
 -0.024513628795 -0.004775439839 -0.078570531972 -0.590391130858
  0.008754292582  0.001732365898  0.025020547459 -0.028705107062
    7    2   10   10
  56.10083890      6.874997900
  214.3000000      64.91000000      24.62000000      10.31500000
  4.144000000      1.725000000     0.6684000000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.7s4p.1s1p.0e-AIMP-Cs2NaYCl6-0036a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
* with orthogonality functions
  1.000    1
    7    1
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  -0.004633358386
  -0.034651035533
  -0.126709073784
  -0.151611040627
  -0.073126674722
   0.597891053905
   0.514582516558
    4    1
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769131253
 -0.230459115043
 -0.510541441866
 -0.448807336783
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886250728E-01 0.1082783167     0.2019142387     0.3809876607
 0.5842076992     0.9773884141     0.9985359140      1.550973842
  2.516270215      1.869421939     0.7431592542
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.52401088      5.268547263
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020751735 -0.004633358386
  0.133425664959 -0.034651035533
  0.445452346885 -0.126709073784
  0.470473385026 -0.151611040627
  0.051255234437 -0.073126674722
  0.045590753537  0.597891053905
 -0.013870378645  0.514582516558
    4    1    6
  2.710182487
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769131253
 -0.230459115043
 -0.510541441866
 -0.448807336783
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  257500.0000      29190.00000      5466.000000      1339.900000
  402.7000000      140.3000000      50.70000000      14.95000000
  4.839000000      2.472000000      1.049300000
 0.6886250728E-01 0.1082783167     0.2019142387     0.3809876607
 0.5842076992     0.9773884141     0.9985359140      1.550973842
  2.516270215      1.869421939     0.7431592542
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.52401088      5.268547263
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020751735 -0.004633358386
  0.133425664959 -0.034651035533
  0.445452346885 -0.126709073784
  0.470473385026 -0.151611040627
  0.051255234437 -0.073126674722
  0.045590753537  0.597891053905
 -0.013870378645  0.514582516558
    4    1    6
  2.710182487
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042769131253
 -0.230459115043
 -0.510541441866
 -0.448807336783
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  391760.0000      63830.00000      15627.00000      4551.800000
  1464.800000      497.6800000      182.5700000      82.10400000
  29.15900000      11.05820000      4.877000000      1.386200000
 0.7052500000
 0.9944462276E-01 0.1152290209     0.2059924881     0.3581596248
 0.5652723909     0.6497251358     0.9940884056      1.545311439
  1.039863924      3.280166931     0.9679822316      1.638808313
 0.5399554726
M2
    0
COREREP
   1.000
PROJOP
    2
   13    4    2    2    2    2
  1232.118588      171.7562799      29.72975143      4.490695886
  22517.10490      3391.918900      768.9299900      207.1223170
  309.5463010      35.21428790      14.98494400      27.52608110
  4.734677850      2.109400820      3.440439540     0.6786342260
 0.2947809880
  0.016560923289  0.005796371031  0.002409911438 -0.000905433864
  0.116515441319  0.040780741325  0.016955086971 -0.006370238208
  0.428179534043  0.149864074844  0.062307803641 -0.023409821023
  0.553166805424  0.193609981184  0.080495693868 -0.030243238831
 -0.001339413799  0.116123787407  0.057619964385 -0.022485578777
  0.007737840280 -0.670851173903 -0.332872545853  0.129899973599
  0.005134647539 -0.445160949928 -0.220886337360  0.086198545807
  0.036252355327  0.003160128357 -0.276235093298  0.131701510108
 -0.113099643470 -0.009858928813  0.861794779501 -0.410880719420
 -0.052487612940 -0.004575360485  0.399944238838 -0.190682724577
  0.145272431432 -0.003966242037 -0.001407902109 -0.341462960543
  0.006901376548  0.004148806490  0.004776492970  0.944162363110
 -0.001818521564 -0.001704121089  0.000856850403  0.358381738963
   10    3    6    6    6
  156.5268862      23.92905852      2.752511681
  981.4297120      230.9750870      72.08684850      24.82378740
  11.44808270      4.716449610      2.023746630      1.100792660
 0.4804636130     0.1967857670
 -0.026051330299  0.012283008243  0.004362568989
 -0.171614808982  0.080915104494  0.028738702982
 -0.491725746614  0.231845027860  0.082344643008
 -0.456213693629  0.215101359321  0.076397776598
 -0.014987000148 -0.362448419996 -0.171186273428
 -0.025261854795 -0.610937430193 -0.288548925041
 -0.009002553410 -0.217719438668 -0.102830022983
  0.019470803064  0.001895702287  0.447355250914
 -0.011854145210 -0.005676223257  0.656463362417
  0.003863070581  0.001502887558  0.076398690957
    7    1   10
  13.40529344
  94.59558890      26.71735310      8.935796000      2.972978130
  1.478689890     0.4818253610     0.1425757710
 -0.047832711937
 -0.250205162001
 -0.528851418930
 -0.398517010006
 -0.020185095047
 -0.025924669461
  0.006602371710
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2NaYCl6-0036a.
L. Seijo and Z.Barandiaran, J.Chem.Phys. 118(2003)1921.
From a SCEI calculation in Cs2NaYCl6 with a=10.3530 A, x=0.2439
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  365100.0000      53630.00000      12063.00000      3276.000000
  1036.400000      359.2000000      124.4000000      46.91000000
  17.98000000      6.987000000      1.446000000     0.5872000000
 0.2124000000
 -.1003769998     -.1273366833     -.2299909026     -.4146724810
 -.6528784431     -1.138369518     -1.275455973     -1.277903741
 -3.421634441     -2.794033361     -2.405360795     -3.688575701
 -.4734109590
M2
    0
COREREP
   1.000
PROJOP
    1
    9    3    2    2    2
  208.2933659      20.75659947      1.907022354
  1364.961500      206.0373000      44.78080200      59.37822900
  5.180495200      2.022433600      3.425198000     0.4591995100
 0.1496382500
 -0.065292246328  0.018780332277  0.005520239824
 -0.363439456918  0.116622600320  0.034659789226
 -0.487688320621  0.205842549369  0.063841357820
 -0.153073853903  0.092383932709  0.028475373837
 -0.358751813611 -0.653249648555 -0.266331739401
 -0.167386589795 -0.405821125283 -0.235550304849
  0.432798886580 -0.031699925289 -0.088384560546
  0.020922499864 -0.014375979845  0.774611252478
 -0.006694435278  0.001640903450  0.425855524169
    6    2    6    6
  15.64696925     0.7153968345
  63.76258100      14.19345700      3.795566700      1.041159100
 0.9954514000E-01 0.3525002600
  0.100428673232  0.026009482225
  0.457110967259  0.126706286898
  0.578083351924  0.158709662282
  0.067908013571 -0.217069370277
 -0.000398339581 -0.247331745317
 -0.000533312899 -0.696585906060
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.1.3. Cs2NaYBr6                                                     *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.1.3.a. Cs2NaYBr6 (a=11.3047 A, x=0.2446)                         *
********************************************************************************
*             /Cs.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                         *
*             /Na.ECP.Abdalla.7s4p.1s1p.0e-AIMP-Cs2NaYBr6.                     *
*             /Na.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                         *
*             /Y.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                          *
*             /Br.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.                         *
********************************************************************************
/Cs.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.
A. Abdalla, Z.Barandiaran, L.Seijo, and R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446.
  1.000    0
    0    0
*
* External AIMP: Cs(CS2NAYBR6)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   412200.0000
   66070.00000
   16111.00000
   4829.000000
   1593.200000
   499.0000000
   202.9000000
   59.38000000
   27.75000000
   .7166000000
   7.896000000
   4.315000000
   1.866000000
   .3904000000
   .2499000000

   .496307922000
   .591624745000
  1.032445480000
  1.673633150000
  2.263052910000
  3.270092570000
  6.073932180000
  4.558168700000
 11.439143600000
  4.339024730000
  1.733584450000
 11.595519300000
  2.747893430000
  1.918591950000
   .266984834000
M2
    0
COREREP
   1.0
PROJOP
    2
   11    5
  2663.57154      425.801631      92.0499860      19.0399257      2.43480000
   33313.72970
   3974.353370
   773.5431020
   68.95959780
   23.82251990
   14.68367750
   7.100338070
   4.198977640
   1.836810800
   .3628488660
   .1568368940
   .051400731200   .017713712500   .007728950340   .003475158890   .001219823690
   .254359876000   .106434067000   .050184496800   .023581409400   .008531764500
   .736676609000   .358208730000   .168004100000   .077418281600   .029104298100
   .288025410000  -.825579235000  -.739489962000  -.390942721000  -.144464418000
  -.658799669000  -.345777227000  -.356661923000  -.274413319000  -.104162949000
   .786232366000   .112218164000   .926930016000   .875777668000   .340975135000
  -.543594819000  -.040730461000   .521270120000   .686329463000   .373638663000
   .304811675000   .016739812000   .050760226600  -.429460146000  -.300160892000
  -.067898881500  -.003297786700   .008617958740 -1.085791200000  -.837351513000
   .013543212500   .000210733999  -.000991882440  -.073917256400   .897933671000
  -.006034411060  -.000159447599   .000496693802   .023720667600   .385853849000
   10    4
  381.900707      77.5322042      14.1904492      1.20200000
   1835.939350
   412.7449050
   125.9339220
   18.54755560
   8.381149310
   4.592322460
   2.150344150
   .4615536950
   .2062279720
   .9242510200E-01
   .056520125800   .021686907400   .009272738120   .002894329380
   .171899237000   .111813194000   .053187300800   .018922702000
   .737178558000   .339659459000   .151122414000   .050155610100
   .444446974000  -.562858154000  -.442982861000  -.152485500000
  -.460759082000  -.485193639000  -.216995650000  -.108809547000
   .324536876000  -.003463784320   .271144558000   .197354214000
  -.106213989000  -.023768939100   .842773248000   .362166016000
   .032403023400   .005853287600   .149950755000  -.519247191000
  -.024513628700  -.004775439830  -.078570531800  -.538012107000
   .008754292540   .001732365890   .025020547400  -.078218125500
    7    2
  56.1008389      6.87499790
   214.3000000
   64.91000000
   24.62000000
   10.31500000
   4.144000000
   1.725000000
   .6684000000
   .056355186000   .025265276800
   .259335436000   .114380454000
   .487532354000   .219610461000
   .361650038000   .038915689900
   .064477717300  -.462584440000
  -.002844159930  -.526167083000
   .000709728006  -.150030084000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Abdalla.7s4p.1s1p.0e-AIMP-Cs2NaYBr6.
A. Abdalla, Z.Barandiaran, L.Seijo, and R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446.
* with orthogonality functions
  1.000    1
    7    1
   1562.631600
   235.8822000
   53.17220000
   14.15975900
   21.42552200
   1.934266800
   .6279934600
     .005087928050
     .035174554700
     .121689169000
     .139379626000
     .088131482300
    -.594289321000
    -.517047555000
    4    1
   38.80258600
   8.675519400
   2.410155500
   .6599204300
   .042831329400
   .230689760000
   .510689319000
   .448429247000
*
* External AIMP: Na(CS2NAYBR6)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   257500.0000
   29190.00000
   5466.000000
   1339.900000
   402.7000000
   140.3000000
   50.70000000
   14.95000000
   4.839000000
   2.472000000
   1.049300000

   .068766997600
   .108007922000
   .201821194000
   .379681194000
   .583941762000
   .975061993000
   .997599940000
  1.561865600000
  2.507566710000
  1.873349400000
   .742337283000
M2
    0
COREREP
   1.0
PROJOP
    1
    7    2
  80.5996000      5.33080000
   1562.631600
   235.8822000
   53.17220000
   14.15975900
   21.42552200
   1.934266800
   .6279934600
   .019051987400   .005087928050
   .131712785000   .035174554700
   .455670852000   .121689169000
   .521913607000   .139379626000
  -.002596404790   .088131482300
   .034263585100  -.594289321000
  -.008552196640  -.517047555000
    4    1
  2.77180000
   38.80258600
   8.675519400
   2.410155500
   .6599204300
   .042831329400
   .230689760000
   .510689319000
   .448429247000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.
A. Abdalla, Z.Barandiaran, L.Seijo, and R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446.
  1.000    0
    0    0
*
* External AIMP: Na(CS2NAYBR6)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   257500.0000
   29190.00000
   5466.000000
   1339.900000
   402.7000000
   140.3000000
   50.70000000
   14.95000000
   4.839000000
   2.472000000
   1.049300000

   .068766997600
   .108007922000
   .201821194000
   .379681194000
   .583941762000
   .975061993000
   .997599940000
  1.561865600000
  2.507566710000
  1.873349400000
   .742337283000
M2
    0
COREREP
   1.0
PROJOP
    1
    7    2
  80.5996000      5.33080000
   1562.631600
   235.8822000
   53.17220000
   14.15975900
   21.42552200
   1.934266800
   .6279934600
   .019051987400   .005087928050
   .131712785000   .035174554700
   .455670852000   .121689169000
   .521913607000   .139379626000
  -.002596404790   .088131482300
   .034263585100  -.594289321000
  -.008552196640  -.517047555000
    4    1
  2.77180000
   38.80258600
   8.675519400
   2.410155500
   .6599204300
   .042831329400
   .230689760000
   .510689319000
   .448429247000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.
A. Abdalla, Z.Barandiaran, L.Seijo, and R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446.
  3.000    0
    0    0
*
* External AIMP: Y(CS2NAYBR6)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   391760.0000
   63830.00000
   15627.00000
   4551.800000
   1464.800000
   497.6800000
   182.5700000
   82.10400000
   29.15900000
   11.05820000
   4.877000000
   1.386200000
   .7052500000

   .099449668333
   .115181035333
   .206070515333
   .357949546667
   .565585796667
   .649013396667
   .995366080000
  1.543141110000
  1.042849296667
  3.273507980000
   .977199186667
  1.614553510000
   .560132876667
M2
    0
COREREP
   1.0
PROJOP
    2
   13    4
  1232.28100      171.917400      29.8900000      4.66020000
   22517.10490
   3391.918900
   768.9299900
   207.1223170
   309.5463010
   35.21428790
   14.98494400
   27.52608110
   4.734677850
   2.109400820
   3.440439540
   .6786342260
   .2947809880
   .016560923400  -.005796362970   .002409832520  -.000900231015
   .116515441000  -.040780684100   .016954531500  -.006333633150
   .428179531000  -.149863865000   .062305762500  -.023275302100
   .553166802000  -.193609709000   .080493056900  -.030069453300
  -.001339389660  -.116123184000   .057635160100  -.022244334100
   .007737700850   .670847687000  -.332960332000   .128506295000
   .005134555010   .445158636000  -.220944590000   .085273733700
   .036252533400  -.003158962610  -.276133035000   .131456056000
  -.113100199000   .009855291940   .861476379000  -.410114954000
  -.052487870700   .004573672670   .399796475000  -.190327346000
   .145273437000   .003985531830  -.000708108451  -.333548019000
   .006900527400  -.004193162000   .003708631870   .917781558000
  -.001817603010   .001751804810   .002011436870   .380928739000
   10    3
  156.688600      24.0890000      2.89920000
   981.4297120
   230.9750870
   72.08684850
   24.82378740
   11.44808270
   4.716449610
   2.023746630
   1.100792660
   .4804636130
   .1967857670
  -.026051347600   .012283513800  -.004365325600
  -.171614925000   .080918435900  -.028756862700
  -.491726078000   .231854573000  -.082396675700
  -.456214002000   .215110215000  -.076446051600
  -.014986348800  -.362469155000   .171394611000
  -.025260757000  -.610972381000   .288900096000
  -.009002162170  -.217731894000   .102955169000
   .019467238900   .001931531450  -.453867511000
  -.011849623700  -.005453124810  -.640047049000
   .003860163900   .001244771500  -.090872535700
    7    1
  13.5654000
   94.59558890
   26.71735310
   8.935796000
   2.972978130
   1.478689890
   .4818253610
   .1425757710
  -.047838172600
  -.250233725000
  -.528905608000
  -.398548907000
  -.020028284300
  -.025837200700
   .006556526810
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Br.ECP.Abdalla.0s.0s.0e-AIMP-Cs2NaYBr6.
A. Abdalla, Z.Barandiaran, L.Seijo, and R. Lindh, JCP 108(1998)2005.
From a SCEI calculation in Cs2NaYBr6 with a=11.3047 A, x=0.2446.
 -1.000    0
    0    0
*
* External AIMP: Br(CS2NAYBR6)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   16
   430625.1200
   79614.44990
   21396.92540
   6688.358340
   2292.801950
   845.9048130
   364.1175340
   157.5734370
   71.88373040
   31.29165770
   11.73295900
   6.186648440
   3.283843750
   1.048375000
   .4561000000
   .2390000000

  -.246516127000
  -.253945315000
  -.445911068000
  -.715834459000
 -1.206774690000
 -1.552973350000
 -1.358750310000
 -2.404839730000
 -4.864014530000
 -1.905209480000
 -5.410272600000
 -6.438576590000
 -2.453831240000
 -2.698405460000
 -3.794933730000
  -.249211321000
M2
    0
COREREP
   1.0
PROJOP
    2
    9    4
  997.594510      134.330110      20.4040000      1.87860000
   8934.747710
   1227.843300
   261.0091240
   25.08448110
   9.675807810
   5.450490620
   2.272826240
   .3906786120
   .1475413850
   .055411250700   .017323643700   .006943508080  -.001903288490
   .287394342000   .110580112000   .044822562900  -.013195896500
   .711687989000   .342704101000   .145575233000  -.042852542900
   .223923493000  -.796802231000  -.593705121000   .185368430000
  -.301211162000  -.303614659000  -.326800586000   .131744278000
   .228347648000   .010633033900   .546475683000  -.242615834000
  -.061768634100  -.005676175170   .809540390000  -.503832467000
   .013508956300   .000652207553   .052355309500   .701197849000
  -.005939876050  -.000281080412  -.017430546900   .493901990000
    9    3
  118.145920      15.1078690      .721533333
   588.0172400
   135.4790460
   41.42742360
   6.040086280
   2.728309220
   .5785604340
   .2350971270
   .9001089500E-01
   .4300000000E-01
   .063087287200   .019119893100  -.004994591880
   .195553259000   .111645092000  -.028236302800
   .742355613000   .276838284000  -.068499577500
   .310754671000  -.424595968000   .151172602000
  -.154381396000  -.588070465000   .167385944000
   .058069021100  -.116626919000  -.297756286000
  -.046314900300   .061483066000  -.701517797000
   .027664978400  -.032802608300  -.150063199000
  -.011157845800   .012839947100   .076555079700
    6    1
  6.31510900
   96.24691000
   29.06600500
   10.97346000
   4.425689100
   1.804591000
   .6835000000
   .026631030900
   .134401869000
   .326604459000
   .429958068000
   .302954729000
   .074571884700
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.1.4. Cs2NaYF6                                                      *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.1.4.a. Cs2NaYF6 (a=9.075 A, x=0.24)                              *
********************************************************************************
*     Cs2NaYF6
*     P=1bar: a0=9.075 A, x=0.24 (A. Vedrine et al Rev. Chim. Min. 7(1970)593)
*     Oh5-Fm3m
********************************************************************************
/Cs.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.
F. Ruiperez, L. Seijo, Z. Barandiaran, unpublished
From a SCEI calculation in Cs2NaYF6 (a=9.075, x=0.24)
   1.000    0
    0    0
*
* External AIMP: Cs(CS2NAYF6)
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  412200.0000      66070.00000      16111.00000      4829.000000
  1593.200000      499.0000000      202.9000000      59.38000000
  27.75000000      7.896000000      4.315000000      1.866000000
 0.7166000000     0.3904000000     0.2049000000
 0.4963429760     0.5916722637      1.032506890      1.673772747
  2.263208745      3.270524603      6.074280365      4.559418900
  11.44000171      1.735841122      11.60019403      2.750044447
  4.274549309      2.225812672     0.1182922341E-01
M2
    0
COREREP
   1.000
PROJOP
    2
   11    5    2    2    2    2    2
  2663.571540      425.8016310      92.04998600      19.03992570
  2.265229139
  33313.72970      3974.353370      773.5431020      68.95959780
  23.82251990      14.68367750      7.100338070      4.198977640
  1.836810800     0.3628488660     0.1568368940
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001225416569
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008570881350
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029237738967
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.145132308069
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104644517173
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.342609652638
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.375429758490
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.301800531989
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.841925576159
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.912136080962
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.373677018679
   10    4    6    6    6    6
  381.9007070      77.53220420      14.19044920      1.031378405
  1835.939350      412.7449050      125.9339220      18.54755560
  8.381149310      4.592322460      2.150344150     0.4615536950
 0.2062279720     0.9242510220E-01
  0.056520125787  0.021686907394  0.009272738120  0.002898548180
  0.171899236514  0.111813193543  0.053187300783  0.018950286191
  0.737178558440  0.339659458519  0.151122413823  0.050228723893
  0.444446974330 -0.562858154294 -0.442982860886 -0.152652145799
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108928461075
  0.324536875925 -0.003463784316  0.271144558213  0.197306753872
 -0.106213989013 -0.023768939091  0.842773248291  0.362078921422
  0.032403023471  0.005853287609  0.149950755473 -0.498378762908
 -0.024513628795 -0.004775439839 -0.078570531972 -0.608090988865
  0.008754292582  0.001732365898  0.025020547459 -0.010644216277
    7    2   10   10
  56.10083890      6.874997900
  214.3000000      64.91000000      24.62000000      10.31500000
  4.144000000      1.725000000     0.6684000000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Ruiperez.7s4p.1s1p.0e-AIMP-Cs2NaYF6.
F.Ruiperez, L. Seijo and Z. Barandiaran, unpublished.
From a SCEI calculation in Cs2NaYF6 with a=9.075 A, x=0.24.
* with orthogonality functions
  1.000    1
    7    1
   1562.631600
   235.8822000
   53.17220000
   14.15975900
   21.42552200
   1.934266800
   .6279934600
    -.004632111687
    -.034644085223
    -.126659444569
    -.151441287601
    -.073212734185
     .597322765600
     .515102670695
    4    1
   38.80258600
   8.675519400
   2.410155500
      .6599204300
     -.042778481715
     -.230486266747
     -.510716343157
     -.448579648815
*
* External AIMP: Na(CS2NAYF6)
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  397800.0000      64386.00000      15245.00000      4181.300000
  1313.700000      443.7800000      162.0500000      64.72000000
  23.84200000      8.964500000      3.419300000      1.279500000
 0.5132977943E-01 0.5962442788E-01 0.1098749749     0.1907607236
 0.3163545945     0.5560288848     0.8097827956     0.9854752620
 0.8777649725      1.808527634      3.011113632      1.223362318
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.42898086      5.176030002
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020736186 -0.004632111687
  0.133425392277 -0.034644085223
  0.445452877430 -0.126659444569
  0.470481790059 -0.151441287601
  0.051246921801 -0.073212734185
  0.045585687447  0.597322765600
 -0.013859935326  0.515102670695
    4    1    6
  2.614766452
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042778481715
 -0.230486266747
 -0.510716343157
 -0.448579648815
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.
F. Ruiperez, L. Seijo, Z. Barandiaran, unpublished
From a SCEI calculation in Cs2NaYF6 (a=9.075, x=0.24)
   1.000    0
    0    0
*
* External AIMP: Na(CS2NAYF6)
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  397800.0000      64386.00000      15245.00000      4181.300000
  1313.700000      443.7800000      162.0500000      64.72000000
  23.84200000      8.964500000      3.419300000      1.279500000
 0.5132977943E-01 0.5962442788E-01 0.1098749749     0.1907607236
 0.3163545945     0.5560288848     0.8097827956     0.9854752620
 0.8777649725      1.808527634      3.011113632      1.223362318
M2
    0
COREREP
   1.000
PROJOP
    1
    7    2    2    2
  80.42898086      5.176030002
  1562.631600      235.8822000      53.17220000      14.15975900
  21.42552200      1.934266800     0.6279934600
  0.019020736186 -0.004632111687
  0.133425392277 -0.034644085223
  0.445452877430 -0.126659444569
  0.470481790059 -0.151441287601
  0.051246921801 -0.073212734185
  0.045585687447  0.597322765600
 -0.013859935326  0.515102670695
    4    1    6
  2.614766452
  38.80258600      8.675519400      2.410155500     0.6599204300
 -0.042778481715
 -0.230486266747
 -0.510716343157
 -0.448579648815
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Y.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.
F. Ruiperez, L. Seijo, Z. Barandiaran, unpublished
From a SCEI calculation in Cs2NaYF6 (a=9.075, x=0.24)
   3.000    0
    0    0
*
* External AIMP: Y(CS2NAYF6)
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  394160.0000      64010.00000      15607.00000      4543.800000
  1468.800000      499.6800000      182.1700000      81.86400000
  29.36900000      11.11220000      4.809000000      1.374200000
 0.7311500000
 0.9918780018E-01 0.1154021472     0.2066853299     0.3575886513
 0.5626723022     0.6512773400      1.002225089      1.539605795
  1.021521820      3.295108371     0.9881214791      1.612864675
 0.5477392002
M2
    0
COREREP
   1.000
PROJOP
    2
   13    4    2    2    2    2
  1231.809275      171.4490362      29.42545853      4.194079038
  22517.10490      3391.918900      768.9299900      207.1223170
  309.5463010      35.21428790      14.98494400      27.52608110
  4.734677850      2.109400820      3.440439540     0.6786342260
 0.2947809880
  0.016560920428  0.005796355574 -0.002409865540 -0.000906856143
  0.116515421189  0.040780632574 -0.016954764058 -0.006380244740
  0.428179460068  0.149863675199 -0.062306616978 -0.023446593766
  0.553166709855  0.193609464880 -0.080494160814 -0.030290745681
 -0.001339409015  0.116124039439 -0.057616906795 -0.022561292815
  0.007737812643 -0.670852629904  0.332854882045  0.130337376239
  0.005134629200 -0.445161916096  0.220874616075  0.086488795839
  0.036252909734  0.003166641539  0.276234221551  0.131705478291
 -0.113101373100 -0.009879248558 -0.861792059836 -0.410893099307
 -0.052488415632 -0.004584790531 -0.399942976687 -0.190688469871
  0.145274639193 -0.003941856918  0.001506859326 -0.343862133443
  0.006901541568  0.004148977852 -0.004929808090  0.950796555206
 -0.001818528008 -0.001705253153 -0.000822797224  0.352691975942
   10    3    6    6    6
  156.2192915      23.62391785      2.450053776
  981.4297120      230.9750870      72.08684850      24.82378740
  11.44808270      4.716449610      2.023746630      1.100792660
 0.4804636130     0.1967857670
  0.026051295182  0.012282818229 -0.004371075652
  0.171614577649  0.080913852764 -0.028794741171
  0.491725083776  0.231841441293 -0.082505208523
  0.456213078661  0.215098031773 -0.076546746196
  0.014988133553 -0.362438341009  0.171464488316
  0.025263765246 -0.610920441210  0.289017879738
  0.009003234237 -0.217713384313  0.102997144113
 -0.019472600071  0.001860750657 -0.443884131686
  0.011854280094 -0.005725624949 -0.672616843039
 -0.003862117036  0.001566841810 -0.059096646864
    7    1   10
  13.09973768
  94.59558890      26.71735310      8.935796000      2.972978130
  1.478689890     0.4818253610     0.1425757710
  0.047828800826
  0.250184703614
  0.528821046346
  0.398522240446
  0.020234233843
  0.026024277063
 -0.006737135911
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Ruiperez.0s.0s.0e-AIMP-Cs2NaYF6.
F. Ruiperez, L. Seijo, Z. Barandiaran, unpublished
From a SCEI calculation in Cs2NaYF6 (a=9.075, x=0.24)
  -1.000    0
    0    0
*
* External AIMP: F(CS2NAYF6)
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  218800.0000      21530.00000      3635.000000      818.7000000
  231.7000000      71.24000000      23.10000000      7.426000000
  2.449000000     0.8448000000     0.2838000000
 -.5925231704E-01 -.1002710755     -.2047754083     -.3840450333
 -.6739545264     -1.077214217     -.9447481629     -1.346003889
 -2.969112515     -2.069677658     -.1709451978
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  51.70140646      2.710788865
  205.9000000      37.19000000      9.880000000      1.713000000
 0.6486000000     0.2108000000
  0.120784112251 -0.028007200956
  0.458965427747 -0.126215475677
  0.521975679445 -0.217224575707
  0.063830610152  0.265892021906
 -0.024834013182  0.633798170546
  0.007038439839  0.233939492371
    4    1    6
 0.8926346932
  7.968000000      1.778000000     0.4582000000     0.1109000000
 -0.158287712116
 -0.436046330025
 -0.550879524558
 -0.118400600270
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
*    E.2. Perovskites                                                          *
********************************************************************************
********************************************************************************
*                                                                              *
********************************************************************************
*         E.2.1. KMgF3                                                         *
********************************************************************************
*           E.2.1.a. KMgF3 (a=3.973 A)                                         *
*             /K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.                         *
*             /Mg.ECP.Lopez-Moraza.7s4p.1s1p.0e-AIMP-KMgF3.                    *
*             /Mg.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.                        *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.                         *
********************************************************************************
*         E.2.2. KZnF3                                                         *
********************************************************************************
*           E.2.2.a. KZnF3 (a=4.054 A)                                         *
*             /K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.                         *
*             /Zn.ECP.Lopez-Moraza.11s8p5d.1s1p1d.0e-AIMP-KZnF3.               *
*             /Zn.ECP.Lopez-Moraza.11s8p.1s1p.0e-AIMP-KZnF3.                   *
*             /Zn.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.                        *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.                         *
********************************************************************************
*         E.2.3. KCdF3                                                         *
********************************************************************************
*           E.2.3.a. KCdF3 (a=4.302 A)                                         *
*             /K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.                         *
*             /Cd.ECP.Lopez-Moraza.11s7p6d.1s1p1d.0e-AIMP-KCdF3.               *
*             /Cd.ECP.Lopez-Moraza.11s7p.1s1p.0e-AIMP-KCdF3.                   *
*             /Cd.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.                        *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.                         *
********************************************************************************
*         E.2.4. CsCaF3                                                        *
********************************************************************************
*           E.2.4.a. CsCaF3 (a=4.526 A)                                        *
*            /Cs.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.                        *
*            /Ca.ECP.Lopez-Moraza.10s7p.1s1p.0e-AIMP-CsCaF3.                   *
*            /Ca.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.                        *
*            /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.                         *
********************************************************************************
*         E.2.5. CsCaBr3                                                       *
********************************************************************************
*           E.2.5.a. CsCaBr3 (a=5.690 A)                                       *
*             /Cs.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.                      *
*             /Ca.ECP.Sanchez-Sanz.10s7p.1s1p.0e-AIMP-CsCaBr3.                 *
*             /Ca.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.                      *
*             /Br.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.                      *
********************************************************************************
*         E.2.6. CaFeO3                                                        *
********************************************************************************
*           E.2.6.a. CaFeO3                                                    *
*             /Fe.ECP.Sadoc.0s.0s.0e-Fe(CaFeO3).                               *
*             /Ca.ECP.Sadoc.0s.0s.0e-Ca(CaFeO3).                               *
*             /O.ECP.Sadoc.0s.0s.0e-O(CaFeO3).                                 *
*             /O.ECP.Sadoc.11s6p.1s1p.0e-O(CaFeO3).                            *
*             /Fe.ECP.Sadoc.22s16p.1s1p.0e-Fe(CaFeO3).                         *
********************************************************************************
*         E.2.7. LaMnO3                                                        *
********************************************************************************
*           E.2.7.a. LaMnO3                                                    *
*             /La.ECP.deGraaf.0s.0s.0e-La(LaMnO3).                             *
*             /Mn.ECP.deGraaf.0s.0s.0e-Mn(LaMnO3).                             *
*             /O.ECP.deGraaf.0s.0s.0e-O1(LaMnO3).                              *
*             /O.ECP.deGraaf.0s.0s.0e-O2(LaMnO3).                              *
*             /Mn.ECP.deGraaf.22s16p.1s1p.0e-Mn(LaMnO3).                       *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-O1(LaMnO3).                         *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-O2(LaMnO3).                         *
********************************************************************************
*         E.2.8. CaMnO3                                                        *
********************************************************************************
*           E.2.8.a. CaMnO3                                                    *
*             /Ca.ECP.deGraaf.0s.0s.0e-Ca(CaMnO3).                             *
*             /Mn.ECP.deGraaf.0s.0s.0e-Mn(CaMnO3).                             *
*             /O.ECP.Graaf.0s.0s.0e-O(CaMnO3).                                 *
*             /Mn.ECP.deGraaf.22s16p.1s1p.0e-Mn(CaMnO3).                       *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-O(CaMnO3).                          *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*    E.2. Perovskites                                                          *
********************************************************************************
*                                                                              *
********************************************************************************
*         E.2.1. KMgF3                                                         *
********************************************************************************
*           E.2.1.a. KMgF3 (a=3.973 A)                                         *
*             /K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.                         *
*             /Mg.ECP.Lopez-Moraza.7s4p.1s1p.0e-AIMP-KMgF3.                    *
*             /Mg.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.                        *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.                         *
********************************************************************************
/K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KMgF3 with a=3.973A.
  1.000    0
    0    0
*
* External AIMP: K(KMGF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   327671.8300
   45224.01200
   9894.183000
   2672.186000
   849.0143300
   291.4850000
   103.0362190
   39.75063000
   16.92693600
   7.621041600
   1.938900000
   .9096900000
   .4200600000

   .124772132000
   .164584625000
   .301070717000
   .527310513000
   .870356206000
  1.312591520000
  1.240827910000
  1.946658070000
  3.580368450000
  1.531508260000
  2.888952820000
  3.037194740000
   .473804039000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  266.444007      28.6597944      3.19880526
   4966.512400
   749.9544400
   169.9457400
   45.60050400
   68.51191700
   7.150838000
   2.847980000
   4.610091000
   .6902950000
   .2693370000
   .017803378800  -.005124990960   .001684947020
   .126624785000  -.038575669500   .012783835400
   .426646215000  -.146877050000   .049029321400
   .445026313000  -.189930456000   .064212305700
   .083403420600  -.081274403700   .030719638200
   .174914400000   .648805827000  -.272166043000
   .080153206100   .467720469000  -.223641907000
  -.197513117000  -.009800907730  -.159614895000
  -.010018662600   .016715063500   .771574823000
   .003459520210  -.001288034540   .432147067000
    7    2
  22.7189212      1.60427400
   180.0180700
   41.67905100
   12.52374500
   4.068336000
   1.552189000
   .5791820000
   .2169950000
   .031580848400  -.009801404240
   .192023035000  -.061648489200
   .506189951000  -.173294789000
   .436548672000  -.145557367000
   .023248656600   .297287468000
   .016024107400   .600267916000
  -.005314409300   .272803502000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mg.ECP.Lopez-Moraza.7s4p.1s1p.0e-AIMP-KMgF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KMgF3 with a=3.973A.
* with orthogonality-functions
* MG-KMGF3-(7/4)                (7/4)
  2.000000         1

    7    1
   1894.178400
   285.5132700
   64.27509900
   17.10119200
   25.82549500
   2.398173000
   .8195200000
  -.004706623030
  -.035346799200
  -.130856673000
  -.159346254000
  -.074676942600
   .607379639000
   .504396360000
    4    1
   50.71731100
   11.43098500
   3.236970000
   .9286060000
   .040412996900
   .223615485000
   .512378139000
   .444070343000
*
* External AIMP: MG(KMGF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   366051.1700
   55343.57550
   12530.50800
   3390.497590
   1051.676930
   363.7848150
   128.9689970
   47.87493830
   15.13096380
   5.852792000
   3.403400000
   1.669640000

   .030320655450
   .037150170150
   .069277062500
   .119354354500
   .201283847000
   .338320599000
   .514782620000
   .491602689000
   .800746870000
  1.153071635000
   .768093930000
   .475995567000
M2
    0
COREREP
   1.0
PROJOP
    1
    7    2
  97.7312263      7.29532939
   1894.178400
   285.5132700
   64.27509900
   17.10119200
   25.82549500
   2.398173000
   .8195200000
   .018650506900  -.004706623030
   .131508649000  -.035346799200
   .442660609000  -.130856673000
   .471873499000  -.159346254000
   .053057617100  -.074676942600
   .048378298200   .607379639000
  -.015180828600   .504396360000
    4    1
  4.34265945
   50.71731100
   11.43098500
   3.236970000
   .9286060000
   .040412996900
   .223615485000
   .512378139000
   .444070343000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mg.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KMgF3 with a=3.973A.
  2.000    0
    0    0
*
* External AIMP: MG(KMGF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   366051.1700
   55343.57550
   12530.50800
   3390.497590
   1051.676930
   363.7848150
   128.9689970
   47.87493830
   15.13096380
   5.852792000
   3.403400000
   1.669640000

   .030320655450
   .037150170150
   .069277062500
   .119354354500
   .201283847000
   .338320599000
   .514782620000
   .491602689000
   .800746870000
  1.153071635000
   .768093930000
   .475995567000
M2
    0
COREREP
   1.0
PROJOP
    1
    7    2
  97.7312263      7.29532939
   1894.178400
   285.5132700
   64.27509900
   17.10119200
   25.82549500
   2.398173000
   .8195200000
   .018650506900  -.004706623030
   .131508649000  -.035346799200
   .442660609000  -.130856673000
   .471873499000  -.159346254000
   .053057617100  -.074676942600
   .048378298200   .607379639000
  -.015180828600   .504396360000
    4    1
  4.34265945
   50.71731100
   11.43098500
   3.236970000
   .9286060000
   .040412996900
   .223615485000
   .512378139000
   .444070343000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KMgF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KMgF3 with a=3.973A.
 -1.000    0
    0    0
*
* External AIMP: F(KMGF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   274951.1700
   32663.57550
   6177.508000
   1480.976930
   429.5975900
   139.5848150
   49.40493830
   17.07096380
   6.156792000
   2.800997000
   1.343400000
   .4961400000

  -.051440955100
  -.075279429100
  -.153850154000
  -.265346550000
  -.481393360000
  -.773030411000
 -1.035341820000
  -.825664412000
 -1.345042760000
 -1.807136340000
 -2.141554860000
 -1.044918950000
M2
    0
COREREP
   1.0
PROJOP
    1
    7    2
  52.1673422      2.83305169
   1040.662500
   156.6843300
   35.11987900
   9.293251000
   13.98919800
   1.162287000
   .3231770000
   .019039184500  -.004250575860
   .133773706000  -.031828086900
   .447596819000  -.115745154000
   .474810312000  -.138666711000
   .047802160000  -.067731336600
   .040587776400   .592064150000
  -.011507606500   .526518213000
    5    1
  1.06941365
   19.10617300
   4.146317000
   1.072087000
   .2398500000
   .7400000000E-01
   .052939578500
   .259761660000
   .517610751000
   .479822726000
  -.057725840100
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.2.2. KZnF3                                                         *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.2.2.a. KZnF3 (a=4.054 A)                                         *
*             /K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.                         *
*             /Zn.ECP.Lopez-Moraza.11s8p5d.1s1p1d.0e-AIMP-KZnF3.               *
*             /Zn.ECP.Lopez-Moraza.11s8p.1s1p.0e-AIMP-KZnF3.                   *
*             /Zn.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.                        *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.                         *
********************************************************************************
/K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KZnF3 with a=4.054A.
  1.000    0
    0    0
*
* External AIMP: K(KZNF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   330971.8300
   46284.01200
   10200.18300
   2758.186000
   873.5143300
   297.7850000
   106.3362190
   40.34063000
   16.98693600
   7.531041600
   1.934900000
   .9157900000
   .4324600000

   .123886233000
   .161156003000
   .296629185000
   .516247755000
   .867367131000
  1.300875010000
  1.238330420000
  1.952826200000
  3.622802760000
  1.529074460000
  2.872562080000
  2.994082940000
   .524159820000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  266.467622      28.6822533      3.21779340
   4966.512400
   749.9544400
   169.9457400
   45.60050400
   68.51191700
   7.150838000
   2.847980000
   4.610091000
   .6902950000
   .2693370000
   .017803387600  -.005125057020   .001684851580
   .126624862000  -.038576227900   .012783925500
   .426646438000  -.146878785000   .049021724700
   .445025503000  -.189929259000   .064155443600
   .083404359400  -.081278877600   .030760687600
   .174911670000   .648823855000  -.271635802000
   .080151545200   .467700422000  -.222276752000
  -.197509681000  -.009788794990  -.161083968000
  -.010018069600   .016700477200   .770667152000
   .003459225650  -.001289343950   .432746552000
    7    2
  22.7414650      1.62409484
   180.0180700
   41.67905100
   12.52374500
   4.068336000
   1.552189000
   .5791820000
   .2169950000
   .031581341700  -.009792683810
   .192026719000  -.061617931600
   .506198165000  -.173092453000
   .436544652000  -.145811907000
   .023238831400   .298354922000
   .016015576600   .596745901000
  -.005308506910   .276209551000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Zn.ECP.Lopez-Moraza.11s8p5d.1s1p1d.0e-AIMP-KZnF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KZnF3 with a=4.054A.
* with orthogonality-functions
* ZN-KZNF3-(11/8/5)             (A1/8/5)
  2.000000         2

   11    1
   34583.90000
   5182.189400
   1174.335500
   330.1877300
   101.8401600
   173.6428500
   20.24587200
   8.337516000
   14.89622500
   2.433304000
   .9570340000
   .000519341509
   .003536921230
   .017238742900
   .040807309600
   .037345249400
   .058615774300
  -.433470306000
  -.180338170000
  -.108613350000
   .786443088000
   .432871236000
    8    1
   1048.969300
   248.2397400
   78.99782300
   28.61507300
   10.69129400
   5.635244000
   2.169898000
   .8050280000
  -.003496370670
  -.026162455400
  -.107131209000
  -.215807350000
  -.121608720000
   .347162127000
   .602263017000
   .245658548000
    5    1
   56.07887300
   15.76607500
   5.320850000
   1.777922000
   .5206620000
   .029835065800
   .160419256000
   .381267161000
   .480057535000
   .289329706000
*
* External AIMP: ZN(KZNF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   429451.1700
   74963.57550
   19433.50800
   5848.197590
   1951.796930
   718.2448150
   279.4689970
   104.0899380
   46.47196380
   18.68179200
   6.413400000
   3.117880000
   2.004410000
   .8292300000

   .099427063500
   .107371309000
   .187606207000
   .319598078500
   .528855040000
   .715377290000
   .758061615000
  1.343180495000
  2.076155340000
  1.116522330000
  3.087679615000
  1.991087355000
  1.191454925000
   .477623325000
M2
    0
COREREP
   1.0
PROJOP
    2
   11    3
  706.300888      88.5540982      11.1398743
   34583.90000
   5182.189400
   1174.335500
   330.1877300
   101.8401600
   173.6428500
   20.24587200
   8.337516000
   14.89622500
   2.433304000
   .9570340000
  -.005104414410  -.002269381020   .000519341509
  -.038509043000  -.016791740700   .003536921230
  -.174421565000  -.077105882400   .017238742900
  -.462153231000  -.200193429000   .040807309600
  -.434339999000  -.192367669000   .037345249400
  -.022467882600  -.125282604000   .058615774300
   .471334628000   .827397477000  -.433470306000
  -.069461831900   .419756440000  -.180338170000
  -.497453921000  -.118669403000  -.108613350000
   .011092325200   .006830488240   .786443088000
   .008758680230  -.002018988450   .432871236000
    8    2
  77.7324008      7.57375406
   1048.969300
   248.2397400
   78.99782300
   28.61507300
   10.69129400
   5.635244000
   2.169898000
   .8050280000
   .009248887900  -.003496370670
   .068631406900  -.026162455400
   .261671644000  -.107131209000
   .507475908000  -.215807350000
   .326597122000  -.121608720000
   .001176683380   .347162127000
   .018566676000   .602263017000
  -.003986554490   .245658548000
    5    1
  1.45536453
   56.07887300
   15.76607500
   5.320850000
   1.777922000
   .5206620000
   .029835065800
   .160419256000
   .381267161000
   .480057535000
   .289329706000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Zn.ECP.Lopez-Moraza.11s8p.1s1p.0e-AIMP-KZnF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KZnF3 with a=4.054A.
* with orthogonality-functions
* ZN-KZNF3-(11/8)               (A1/8)
  2.000000         1

   11    1
   34583.90000
   5182.189400
   1174.335500
   330.1877300
   101.8401600
   173.6428500
   20.24587200
   8.337516000
   14.89622500
   2.433304000
   .9570340000
   .000519341509
   .003536921230
   .017238742900
   .040807309600
   .037345249400
   .058615774300
  -.433470306000
  -.180338170000
  -.108613350000
   .786443088000
   .432871236000
    8    1
   1048.969300
   248.2397400
   78.99782300
   28.61507300
   10.69129400
   5.635244000
   2.169898000
   .8050280000
  -.003496370670
  -.026162455400
  -.107131209000
  -.215807350000
  -.121608720000
   .347162127000
   .602263017000
   .245658548000
*
* External AIMP: ZN(KZNF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   429451.1700
   74963.57550
   19433.50800
   5848.197590
   1951.796930
   718.2448150
   279.4689970
   104.0899380
   46.47196380
   18.68179200
   6.413400000
   3.117880000
   2.004410000
   .8292300000

   .099427063500
   .107371309000
   .187606207000
   .319598078500
   .528855040000
   .715377290000
   .758061615000
  1.343180495000
  2.076155340000
  1.116522330000
  3.087679615000
  1.991087355000
  1.191454925000
   .477623325000
M2
    0
COREREP
   1.0
PROJOP
    2
   11    3
  706.300888      88.5540982      11.1398743
   34583.90000
   5182.189400
   1174.335500
   330.1877300
   101.8401600
   173.6428500
   20.24587200
   8.337516000
   14.89622500
   2.433304000
   .9570340000
  -.005104414410  -.002269381020   .000519341509
  -.038509043000  -.016791740700   .003536921230
  -.174421565000  -.077105882400   .017238742900
  -.462153231000  -.200193429000   .040807309600
  -.434339999000  -.192367669000   .037345249400
  -.022467882600  -.125282604000   .058615774300
   .471334628000   .827397477000  -.433470306000
  -.069461831900   .419756440000  -.180338170000
  -.497453921000  -.118669403000  -.108613350000
   .011092325200   .006830488240   .786443088000
   .008758680230  -.002018988450   .432871236000
    8    2
  77.7324008      7.57375406
   1048.969300
   248.2397400
   78.99782300
   28.61507300
   10.69129400
   5.635244000
   2.169898000
   .8050280000
   .009248887900  -.003496370670
   .068631406900  -.026162455400
   .261671644000  -.107131209000
   .507475908000  -.215807350000
   .326597122000  -.121608720000
   .001176683380   .347162127000
   .018566676000   .602263017000
  -.003986554490   .245658548000
    5    1
  1.45536453
   56.07887300
   15.76607500
   5.320850000
   1.777922000
   .5206620000
   .029835065800
   .160419256000
   .381267161000
   .480057535000
   .289329706000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Zn.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KZnF3 with a=4.054A.
  2.000    0
    0    0
*
* External AIMP: ZN(KZNF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   429451.1700
   74963.57550
   19433.50800
   5848.197590
   1951.796930
   718.2448150
   279.4689970
   104.0899380
   46.47196380
   18.68179200
   6.413400000
   3.117880000
   2.004410000
   .8292300000

   .099427063500
   .107371309000
   .187606207000
   .319598078500
   .528855040000
   .715377290000
   .758061615000
  1.343180495000
  2.076155340000
  1.116522330000
  3.087679615000
  1.991087355000
  1.191454925000
   .477623325000
M2
    0
COREREP
   1.0
PROJOP
    2
   11    3
  706.300888      88.5540982      11.1398743
   34583.90000
   5182.189400
   1174.335500
   330.1877300
   101.8401600
   173.6428500
   20.24587200
   8.337516000
   14.89622500
   2.433304000
   .9570340000
  -.005104414410  -.002269381020   .000519341509
  -.038509043000  -.016791740700   .003536921230
  -.174421565000  -.077105882400   .017238742900
  -.462153231000  -.200193429000   .040807309600
  -.434339999000  -.192367669000   .037345249400
  -.022467882600  -.125282604000   .058615774300
   .471334628000   .827397477000  -.433470306000
  -.069461831900   .419756440000  -.180338170000
  -.497453921000  -.118669403000  -.108613350000
   .011092325200   .006830488240   .786443088000
   .008758680230  -.002018988450   .432871236000
    8    2
  77.7324008      7.57375406
   1048.969300
   248.2397400
   78.99782300
   28.61507300
   10.69129400
   5.635244000
   2.169898000
   .8050280000
   .009248887900  -.003496370670
   .068631406900  -.026162455400
   .261671644000  -.107131209000
   .507475908000  -.215807350000
   .326597122000  -.121608720000
   .001176683380   .347162127000
   .018566676000   .602263017000
  -.003986554490   .245658548000
    5    1
  1.45536453
   56.07887300
   15.76607500
   5.320850000
   1.777922000
   .5206620000
   .029835065800
   .160419256000
   .381267161000
   .480057535000
   .289329706000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KZnF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KZnF3 with a=4.054A.
 -1.000    0
    0    0
*
* External AIMP: F(KZNF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   275951.1700
   32873.57550
   6232.508000
   1499.976930
   428.7975900
   144.7848150
   53.51493830
   19.35096380
   6.085792000
   2.734997000
   1.415400000
   .5032400000

  -.051092550300
  -.075669808400
  -.150405461000
  -.269622394000
  -.472870976000
  -.730286042000
  -.977053606000
  -.865442342000
 -1.533645630000
 -1.547266700000
 -2.207422810000
 -1.119221680000
M2
    0
COREREP
   1.0
PROJOP
    1
    7    2
  52.1515332      2.81669260
   1040.662500
   156.6843300
   35.11987900
   9.293251000
   13.98919800
   1.162287000
   .3231770000
   .019039174000  -.004250443480
   .133773702000  -.031827997300
   .447596097000  -.115736617000
   .474807380000  -.138620699000
   .047804653500  -.067767911000
   .040592882700   .592009164000
  -.011513720500   .526565728000
    5    1
  1.04884417
   19.10617300
   4.146317000
   1.072087000
   .2398500000
   .7400000000E-01
   .052795153900
   .259084079000
   .516124194000
   .479689163000
  -.052321102100
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.2.3. KCdF3                                                         *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.2.3.a. KCdF3 (a=4.302 A)                                         *
*             /K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.                         *
*             /Cd.ECP.Lopez-Moraza.11s7p6d.1s1p1d.0e-AIMP-KCdF3.               *
*             /Cd.ECP.Lopez-Moraza.11s7p.1s1p.0e-AIMP-KCdF3.                   *
*             /Cd.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.                        *
*             /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.                         *
********************************************************************************
/K.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KCdF3 with a=4.302A.
  1.000    0
    0    0
*
* External AIMP: K(KCDF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   329471.8300
   45884.01200
   10090.18300
   2726.186000
   864.2143300
   295.6850000
   104.6362190
   40.07063000
   16.94693600
   7.618041600
   1.944900000
   .9077900000
   .4184600000

   .124174907000
   .162544576000
   .297559302000
   .521807182000
   .865322860000
  1.309948930000
  1.240254360000
  1.951126960000
  3.595554740000
  1.525944090000
  2.884364580000
  3.023164710000
   .498232787000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  266.525856      28.7381948      3.26712218
   4966.512400
   749.9544400
   169.9457400
   45.60050400
   68.51191700
   7.150838000
   2.847980000
   4.610091000
   .6902950000
   .2693370000
   .017803404500  -.005125188050   .001684520550
   .126625014000  -.038577316200   .012783116200
   .426646863000  -.146882341000   .049001968700
   .445023901000  -.189928148000   .064031357100
   .083406201800  -.081286722000   .030844090000
   .174906676000   .648868112000  -.270499386000
   .080148813600   .467681307000  -.219398533000
  -.197503674000  -.009787791770  -.164144900000
  -.010017200400   .016657723400   .768560950000
   .003458828840  -.001282381740   .434185017000
    7    2
  22.7976036      1.67487644
   180.0180700
   41.67905100
   12.52374500
   4.068336000
   1.552189000
   .5791820000
   .2169950000
   .031582309400  -.009775922780
   .192034011000  -.061558865400
   .506214053000  -.172704345000
   .436537734000  -.146295009000
   .023217128800   .300393042000
   .016002660700   .590003683000
  -.005300125210   .282718963000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cd.ECP.Lopez-Moraza.11s7p6d.1s1p1d.0e-AIMP-KCdF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KCdF3 with a=4.302A. QR-Cd.
* with orthogonality-functions
* CD-KCDF3-(11/7/6)             (A1/7/6)
  2.000000         2

   11    1
   21853.98590
   2756.327570
   551.7080770
   50.66690200
   18.72571300
   10.23501800
   4.774123000
   2.307910000
   .9284960000
   .1208520000
   .4370400000E-01
  -.003540828380
  -.023152078000
  -.076403602000
   .387947934000
   .305187123000
 -1.016820860000
  -.623282728000
   .627773903000
   .822639849000
  -.014554665700
  -.003795345540
    7    1
   1291.791200
   293.4490180
   89.79891500
   13.76174900
   8.169598000
   1.806744000
   .6712320000
   .007660774390
   .049495883700
   .127405943000
  -.271294451000
  -.245154513000
   .720871735000
   .411559276000
    6    1
   157.0421920
   44.83258300
   15.39507900
   2.276869000
   .8601320000
   .2898450000
  -.018613327400
  -.098713325000
  -.189319390000
   .420762687000
   .554744722000
   .182775340000
*
* External AIMP: CDQR(KCDF3)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   516301.2480
   102071.8350
   29125.32680
   9328.493290
   3458.701120
   1301.013720
   447.8145410
   173.0688630
   79.60650000
   26.77624630
   18.37080110
   2.857835740
   7.064209030
   1.230700000
   .4896000000

   .173533542500
   .169915270000
   .288114187500
   .462812228000
   .689391355000
   .978076740000
  1.277273375000
  2.829680045000
  1.198878585000
  2.768228635000
  4.714390545000
  4.549998860000
   .007339571400
  2.634139700000
   .258227365500
M2
    0
COREREP
   1.0
PROJOP
    2
   11    4
  1977.99100      301.309800      60.0372200      9.22333747
   21853.98590
   2756.327570
   551.7080770
   50.66690200
   18.72571300
   10.23501800
   4.774123000
   2.307910000
   .9284960000
   .1208520000
   .4370400000E-01
   .051617605900   .017254024100   .007341014210  -.003540828380
   .264346086000   .107191852000   .048721795500  -.023152078000
   .730122229000   .354986921000   .162581625000  -.076403602000
   .262018397000  -.815432006000  -.694203514000   .387947934000
  -.417263166000  -.304985816000  -.320389097000   .305187123000
   .423280501000   .042725473400   .860515626000 -1.016820860000
  -.245812589000  -.016789611600   .541168359000  -.623282728000
   .113446427000   .006642562470   .034547288700   .627773903000
  -.028319824500  -.001745761080   .003732778880   .822639849000
   .005065107370   .000303647441  -.000754765512  -.014554665700
  -.002361354750  -.000141144317   .000352313316  -.003795345540
    7    3
  270.201395      49.5423330      6.05505471
   1291.791200
   293.4490180
   89.79891500
   13.76174900
   8.169598000
   1.806744000
   .6712320000
   .056941599600   .018957587800   .007660774390
   .185063085000   .121288028000   .049495883700
   .727393624000   .306349089000   .127405943000
   .449699937000  -.285878580000  -.271294451000
  -.268313768000  -.684509613000  -.245154513000
   .050488908200  -.124249961000   .720871735000
  -.020589228100   .033828815000   .411559276000
    6    2
  33.0963980      1.26413523
   157.0421920
   44.83258300
   15.39507900
   2.276869000
   .8601320000
   .2898450000
   .081946285100  -.018613327400
   .186218676000  -.098713325000
   .769124249000  -.189319390000
   .290349855000   .420762687000
  -.125396975000   .554744722000
   .039754037100   .182775340000
*
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
CDQR(KCDF3)
End of Spectral Representation Operator

/Cd.ECP.Lopez-Moraza.11s7p.1s1p.0e-AIMP-KCdF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KCdF3 with a=4.302A.
* with orthogonality-functions
* CD-KCDF3-(11/7)               (A1/7)
  2.000000         1

   11    1
   21853.98590
   2756.327570
   551.7080770
   50.66690200
   18.72571300
   10.23501800
   4.774123000
   2.307910000
   .9284960000
   .1208520000
   .4370400000E-01
  -.003540828380
  -.023152078000
  -.076403602000
   .387947934000
   .305187123000
 -1.016820860000
  -.623282728000
   .627773903000
   .822639849000
  -.014554665700
  -.003795345540
    7    1
   1291.791200
   293.4490180
   89.79891500
   13.76174900
   8.169598000
   1.806744000
   .6712320000
   .007660774390
   .049495883700
   .127405943000
  -.271294451000
  -.245154513000
   .720871735000
   .411559276000
*
* External AIMP: CDQR(KCDF3)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   516301.2480
   102071.8350
   29125.32680
   9328.493290
   3458.701120
   1301.013720
   447.8145410
   173.0688630
   79.60650000
   26.77624630
   18.37080110
   2.857835740
   7.064209030
   1.230700000
   .4896000000

   .173533542500
   .169915270000
   .288114187500
   .462812228000
   .689391355000
   .978076740000
  1.277273375000
  2.829680045000
  1.198878585000
  2.768228635000
  4.714390545000
  4.549998860000
   .007339571400
  2.634139700000
   .258227365500
M2
    0
COREREP
   1.0
PROJOP
    2
   11    4
  1977.99100      301.309800      60.0372200      9.22333747
   21853.98590
   2756.327570
   551.7080770
   50.66690200
   18.72571300
   10.23501800
   4.774123000
   2.307910000
   .9284960000
   .1208520000
   .4370400000E-01
   .051617605900   .017254024100   .007341014210  -.003540828380
   .264346086000   .107191852000   .048721795500  -.023152078000
   .730122229000   .354986921000   .162581625000  -.076403602000
   .262018397000  -.815432006000  -.694203514000   .387947934000
  -.417263166000  -.304985816000  -.320389097000   .305187123000
   .423280501000   .042725473400   .860515626000 -1.016820860000
  -.245812589000  -.016789611600   .541168359000  -.623282728000
   .113446427000   .006642562470   .034547288700   .627773903000
  -.028319824500  -.001745761080   .003732778880   .822639849000
   .005065107370   .000303647441  -.000754765512  -.014554665700
  -.002361354750  -.000141144317   .000352313316  -.003795345540
    7    3
  270.201395      49.5423330      6.05505471
   1291.791200
   293.4490180
   89.79891500
   13.76174900
   8.169598000
   1.806744000
   .6712320000
   .056941599600   .018957587800   .007660774390
   .185063085000   .121288028000   .049495883700
   .727393624000   .306349089000   .127405943000
   .449699937000  -.285878580000  -.271294451000
  -.268313768000  -.684509613000  -.245154513000
   .050488908200  -.124249961000   .720871735000
  -.020589228100   .033828815000   .411559276000
    6    2
  33.0963980      1.26413523
   157.0421920
   44.83258300
   15.39507900
   2.276869000
   .8601320000
   .2898450000
   .081946285100  -.018613327400
   .186218676000  -.098713325000
   .769124249000  -.189319390000
   .290349855000   .420762687000
  -.125396975000   .554744722000
   .039754037100   .182775340000
*
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
CDQR(KCDF3)
End of Spectral Representation Operator

/Cd.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KCdF3 with a=4.302A.
  2.000    0
    0    0
*
* External AIMP: CDQR(KCDF3)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   516301.2480
   102071.8350
   29125.32680
   9328.493290
   3458.701120
   1301.013720
   447.8145410
   173.0688630
   79.60650000
   26.77624630
   18.37080110
   2.857835740
   7.064209030
   1.230700000
   .4896000000

   .173533542500
   .169915270000
   .288114187500
   .462812228000
   .689391355000
   .978076740000
  1.277273375000
  2.829680045000
  1.198878585000
  2.768228635000
  4.714390545000
  4.549998860000
   .007339571400
  2.634139700000
   .258227365500
M2
    0
COREREP
   1.0
PROJOP
    2
   11    4
  1977.99100      301.309800      60.0372200      9.22333747
   21853.98590
   2756.327570
   551.7080770
   50.66690200
   18.72571300
   10.23501800
   4.774123000
   2.307910000
   .9284960000
   .1208520000
   .4370400000E-01
   .051617605900   .017254024100   .007341014210  -.003540828380
   .264346086000   .107191852000   .048721795500  -.023152078000
   .730122229000   .354986921000   .162581625000  -.076403602000
   .262018397000  -.815432006000  -.694203514000   .387947934000
  -.417263166000  -.304985816000  -.320389097000   .305187123000
   .423280501000   .042725473400   .860515626000 -1.016820860000
  -.245812589000  -.016789611600   .541168359000  -.623282728000
   .113446427000   .006642562470   .034547288700   .627773903000
  -.028319824500  -.001745761080   .003732778880   .822639849000
   .005065107370   .000303647441  -.000754765512  -.014554665700
  -.002361354750  -.000141144317   .000352313316  -.003795345540
    7    3
  270.201395      49.5423330      6.05505471
   1291.791200
   293.4490180
   89.79891500
   13.76174900
   8.169598000
   1.806744000
   .6712320000
   .056941599600   .018957587800   .007660774390
   .185063085000   .121288028000   .049495883700
   .727393624000   .306349089000   .127405943000
   .449699937000  -.285878580000  -.271294451000
  -.268313768000  -.684509613000  -.245154513000
   .050488908200  -.124249961000   .720871735000
  -.020589228100   .033828815000   .411559276000
    6    2
  33.0963980      1.26413523
   157.0421920
   44.83258300
   15.39507900
   2.276869000
   .8601320000
   .2898450000
   .081946285100  -.018613327400
   .186218676000  -.098713325000
   .769124249000  -.189319390000
   .290349855000   .420762687000
  -.125396975000   .554744722000
   .039754037100   .182775340000
*
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
CDQR(KCDF3)
End of Spectral Representation Operator

/F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-KCdF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on KCdF3 with a=4.302A.
 -1.000    0
    0    0
*
* External AIMP: F(KCDF3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   278251.1700
   33403.57550
   6375.508000
   1544.976930
   445.7975900
   151.6848150
   55.77493830
   20.14096380
   6.291792000
   2.835997000
   1.412400000
   .4891400000

  -.050747293800
  -.074684184000
  -.147931058000
  -.263638325000
  -.458063656000
  -.712880827000
  -.978808867000
  -.871782894000
 -1.475575360000
 -1.579292830000
 -2.273357130000
 -1.113237570000
M2
    0
COREREP
   1.0
PROJOP
    1
    7    2
  52.1311368      2.78300639
   1040.662500
   156.6843300
   35.11987900
   9.293251000
   13.98919800
   1.162287000
   .3231770000
   .019039350900  -.004254862390
   .133775509000  -.031864606800
   .447597779000  -.115845186000
   .474773796000  -.138614789000
   .047841071000  -.068003422500
   .040581982500   .593659869000
  -.011531014400   .524990134000
    5    1
  1.00865652
   19.10617300
   4.146317000
   1.072087000
   .2398500000
   .7400000000E-01
   .052618954100
   .258236133000
   .514505477000
   .473626402000
  -.034295176300
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.2.4. CsCaF3                                                        *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.2.4.a. CsCaF3 (a=4.526 A)                                        *
*            /Cs.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.                        *
*            /Ca.ECP.Lopez-Moraza.10s7p.1s1p.0e-AIMP-CsCaF3.                   *
*            /Ca.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.                        *
*            /F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.                         *
********************************************************************************
/Cs.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on CsCaF3 with a=4.526A. QR-Cs
  1.000    0
    0    0
*
* External AIMP: CSQR(CSCAF)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   412200.0000
   66070.00000
   16111.00000
   4829.000000
   1593.200000
   499.0000000
   202.9000000
   59.38000000
   27.75000000
   .7166000000
   7.896000000
   4.315000000
   1.866000000
   .3904000000
   .2499000000

   .496447219000
   .591456561000
  1.032530330000
  1.674174900000
  2.262872790000
  3.270295760000
  6.074701880000
  4.559035650000
 11.440023000000
  4.290495370000
  1.736648090000
 11.598700200000
  2.750512620000
  2.158963930000
   .063141643000
M2
    0
COREREP
   1.0
PROJOP
    2
   11    5
  2663.57154      425.801631      92.0499860      19.0399257      2.30488313
   33313.72970
   3974.353370
   773.5431020
   68.95959800
   23.82252000
   14.68367700
   7.100338000
   4.198978000
   1.836811000
   .3628490000
   .1568370000
   .051400731200   .017713712500   .007728950380   .003475158890   .001220330110
   .254359876000   .106434067000   .050184496600   .023581409400   .008535884950
   .736676609000   .358208730000   .168004100000   .077418281600   .029113208800
   .288025410000  -.825579232000  -.739489961000  -.390942718000  -.144417101000
  -.658799653000  -.345777230000  -.356661891000  -.274413312000  -.105545230000
   .786232407000   .112218171000   .926930018000   .875777728000   .344302832000
  -.543594989000  -.040730478100   .521270069000   .686329324000   .367122126000
   .304811809000   .016739822900   .050760239600  -.429459911000  -.291460270000
  -.067898907500  -.003297788500   .008617960800 -1.085791330000  -.844864275000
   .013543222300   .000210734504  -.000991882933  -.073917318100   .908808822000
  -.006034416160  -.000159447899   .000496694119   .023720688700   .377184602000
   10    4
  381.900707      77.5322042      14.1904492      1.06573647
   1835.939350
   412.7449050
   125.9339220
   18.54755600
   8.381149000
   4.592322000
   2.150344000
   .4615540000
   .2062280000
   .9242500000E-01
   .056520125900   .021686907800   .009272737970  -.002908245600
   .171899236000   .111813192000   .053187301200  -.019020320500
   .737178559000   .339659462000   .151122413000  -.050384998600
   .444446938000  -.562858147000  -.442982829000   .152810004000
  -.460759008000  -.485193687000  -.216995759000   .111759265000
   .324536850000  -.003463737390   .271144789000  -.203143369000
  -.106214012000  -.023768951100   .842773073000  -.358664955000
   .032403013300   .005853288530   .149950657000   .502329316000
  -.024513584900  -.004775433730  -.078570320700   .594557766000
   .008754269300   .001732362160   .025020455400   .023162361000
    7    2
  56.1008389      6.87499790
   214.3000000
   64.91000000
   24.62000000
   10.31500000
   4.144000000
   1.725000000
   .6684000000
   .056355186000   .025265276800
   .259335436000   .114380454000
   .487532354000   .219610461000
   .361650038000   .038915689900
   .064477717300  -.462584440000
  -.002844159930  -.526167083000
   .000709728006  -.150030084000
*
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
CSQR(CSCAF)/OK
End of Spectral Representation Operator

/Ca.ECP.Lopez-Moraza.10s7p.1s1p.0e-AIMP-CsCaF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on CsCaF3 with a=4.526A.
* with orthogonality-functions
* CA-CSCAF3-(10/7)              (A0/7)
  2.000000         1

   10    1
   5608.586000
   845.1952200
   190.9857700
   51.09832300
   76.40198800
   8.051275000
   32.41457200
   5.294224000
   .8276950000
   .3412390000
   .001785892970
   .013166320700
   .056191689200
   .162234583000
  -.009236820030
  -.086549601000
  -.077120530000
  -.544857493000
   .729223384000
   .448879665000
    7    1
   207.9018000
   48.16632700
   14.51329700
   4.744746000
   1.851743000
   .7115060000
   .2836070000
  -.010081721400
  -.064369152800
  -.185326164000
  -.158134029000
   .308626166000
   .617892717000
   .236866030000
*
* External AIMP: CA(CSCAF)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   338351.1700
   48123.57550
   10679.50800
   2873.497590
   902.2769320
   303.4848150
   99.03899700
   34.31493830
   14.65096380
   3.962792000
   1.608400000
   .7384000000

   .065074394500
   .083641952500
   .154665279000
   .272351728000
   .457941231000
   .690752250000
   .735016230000
  1.367217635000
  1.761798845000
   .676026015000
  2.062595315000
   .672919125000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  297.947187      33.1721202      4.06311632
   5608.586000
   845.1952200
   190.9857700
   51.09832300
   76.40198800
   8.051275000
   32.41457200
   5.294224000
   .8276950000
   .3412390000
   .017374569200  -.005125680330   .001785892970
   .125182098000  -.037736114300   .013166320700
   .416551560000  -.156965974000   .056191689200
   .318720461000  -.408887505000   .162234583000
   .150684894000   .015121231500  -.009236820030
   .070165721600   .195497652000  -.086549601000
   .089533998400   .179397541000  -.077120530000
  -.040939906000   .785111642000  -.544857493000
   .004776455000   .137097052000   .729223384000
  -.002262694310  -.051352994900   .448879665000
    7    2
  26.8241601      2.27059379
   207.9018000
   48.16632700
   14.51329700
   4.744746000
   1.851743000
   .7115060000
   .2836070000
   .030281988900  -.010081721400
   .186853293000  -.064369152800
   .502585288000  -.185326164000
   .442543608000  -.158134029000
   .023295979800   .308626166000
   .018797879100   .617892717000
  -.006490516870   .236866030000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on CsCaF3 with a=4.526A.
  2.000    0
    0    0
*
* External AIMP: CA(CSCAF)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   338351.1700
   48123.57550
   10679.50800
   2873.497590
   902.2769320
   303.4848150
   99.03899700
   34.31493830
   14.65096380
   3.962792000
   1.608400000
   .7384000000

   .065074394500
   .083641952500
   .154665279000
   .272351728000
   .457941231000
   .690752250000
   .735016230000
  1.367217635000
  1.761798845000
   .676026015000
  2.062595315000
   .672919125000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  297.947187      33.1721202      4.06311632
   5608.586000
   845.1952200
   190.9857700
   51.09832300
   76.40198800
   8.051275000
   32.41457200
   5.294224000
   .8276950000
   .3412390000
   .017374569200  -.005125680330   .001785892970
   .125182098000  -.037736114300   .013166320700
   .416551560000  -.156965974000   .056191689200
   .318720461000  -.408887505000   .162234583000
   .150684894000   .015121231500  -.009236820030
   .070165721600   .195497652000  -.086549601000
   .089533998400   .179397541000  -.077120530000
  -.040939906000   .785111642000  -.544857493000
   .004776455000   .137097052000   .729223384000
  -.002262694310  -.051352994900   .448879665000
    7    2
  26.8241601      2.27059379
   207.9018000
   48.16632700
   14.51329700
   4.744746000
   1.851743000
   .7115060000
   .2836070000
   .030281988900  -.010081721400
   .186853293000  -.064369152800
   .502585288000  -.185326164000
   .442543608000  -.158134029000
   .023295979800   .308626166000
   .018797879100   .617892717000
  -.006490516870   .236866030000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Lopez-Moraza.0s.0s.0e-AIMP-CsCaF3.
S.Lopez-Moraza, J. L. Pascual, and Z.Barandiaran, J.Chem.Phys. 103(1995)2117.
From a SCEI calculation on CsCaF3 with a=4.526A.
 -1.000    0
    0    0
*
* External AIMP: F(CSCAF)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   275451.1700
   32773.57550
   6218.508000
   1501.976930
   431.4975900
   145.9848150
   53.70493830
   19.26096380
   6.000792000
   2.649997000
   1.390400000
   .4892400000

  -.051072206100
  -.075676299300
  -.150118320000
  -.268038470000
  -.468688417000
  -.727568240000
  -.981520178000
  -.868537707000
 -1.564140140000
 -1.575198220000
 -2.138568260000
 -1.130873540000
M2
    0
COREREP
   1.0
PROJOP
    1
    7    2
  52.1016824      2.74752923
   1040.662500
   156.6843300
   35.11987900
   9.293251000
   13.98919800
   1.162287000
   .3231770000
   .019039452200  -.004262305450
   .133776392000  -.031911704900
   .447599062000  -.116103572000
   .474755756000  -.139312996000
   .047861607700  -.067743961800
   .040564814200   .596535649000
  -.011521656100   .522319059000
    5    1
  .969020472
   19.10617300
   4.146317000
   1.072087000
   .2398500000
   .7400000000E-01
   .052416137400
   .257655963000
   .511468513000
   .477634062000
  -.033852388500
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.5. CsCaBr3                                                      *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.2.5.a. CsCaBr3 (a=5.690 A)                                      *
*             /Cs.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.                      *
*             /Ca.ECP.Sanchez-Sanz.10s7p.1s1p.0e-AIMP-CsCaBr3.                 *
*             /Ca.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.                      *
*             /Br.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.                      *
********************************************************************************
*   Structure reference pending
*   Pm3m, a=5.69A
********************************************************************************
/Cs.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran, J.Chem.Phys., 131,024505(2009)
SCEI calculation on CsCaBr3 Pm3m a=5.69A
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  451610.0000      78113.00000      20336.00000      6206.400000
  2025.300000      653.0600000      239.7900000      93.14900000
  35.92700000      21.77230000      4.762200000      2.388000000
 0.7946600000     0.4162500000     0.2332300000
 0.4653744080     0.5189289914     0.8771547423      1.501139260
  2.174522551      2.725452804      6.145525402      2.949226328
  9.207588103      5.262756161      11.40190188      3.795522841
  4.186782429      2.595894947     0.1922291541
M2
    0
COREREP
   1.000
PROJOP
    2
   11    5    2    2    2    2    2
  2663.571540      425.8016310      92.04998600      19.03992570
  2.441728423
  33313.72970      3974.353370      773.5431020      68.95959780
  23.82251990      14.68367750      7.100338070      4.198977640
  1.836810800     0.3628488660     0.1568368940
  0.051400731232  0.017713712496  0.007728950342  0.003475158893  0.001221934920
  0.254359876061  0.106434067340  0.050184496802  0.023581409399  0.008546529798
  0.736676609491  0.358208729607  0.168004099684  0.077418281567  0.029154668823
  0.288025409682 -0.825579235015 -0.739489961625 -0.390942720883 -0.144716547248
 -0.658799668731 -0.345777226927 -0.356661923265 -0.274413318564 -0.104344741809
  0.786232365519  0.112218163553  0.926930016382  0.875777668192  0.341590531739
 -0.543594818800 -0.040730461010  0.521270119720  0.686329463273  0.374313011458
  0.304811674843  0.016739812040  0.050760226595 -0.429460146331 -0.300773023255
 -0.067898881494 -0.003297786695  0.008617958744 -1.085791202739 -0.839059160130
  0.013543212453  0.000210733999 -0.000991882440 -0.073917256406  0.903165839959
 -0.006034411061 -0.000159447599  0.000496693802  0.023720667601  0.381371058598
   10    4    6    6    6    6
  381.9007070      77.53220420      14.19044920      1.209342848
  1835.939350      412.7449050      125.9339220      18.54755560
  8.381149310      4.592322460      2.150344150     0.4615536950
 0.2062279720     0.9242510220E-01
  0.056520125787  0.021686907394  0.009272738120  0.002895149155
  0.171899236514  0.111813193543  0.053187300783  0.018928063862
  0.737178558440  0.339659458519  0.151122413823  0.050169822448
  0.444446974330 -0.562858154294 -0.442982860886 -0.152516438804
 -0.460759081787 -0.485193638558 -0.216995649630 -0.108831624217
  0.324536875925 -0.003463784316  0.271144558213  0.197335776037
 -0.106213989013 -0.023768939091  0.842773248291  0.362132180188
  0.032403023471  0.005853287609  0.149950755473 -0.514638382701
 -0.024513628795 -0.004775439839 -0.078570531972 -0.553205213039
  0.008754292582  0.001732365898  0.025020547459 -0.063788687702
    7    2   10   10
  56.10083890      6.874997900
  214.3000000      64.91000000      24.62000000      10.31500000
  4.144000000      1.725000000     0.6684000000
  0.056355186022  0.025265276789
  0.259335436101  0.114380453948
  0.487532354190  0.219610460900
  0.361650038141  0.038915689882
  0.064477717325 -0.462584439790
 -0.002844159931 -0.526167082761
  0.000709728006 -0.150030083932
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.ECP.Sanchez-Sanz.10s7p.1s1p.0e-AIMP-CsCaBr3.
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran, J.Chem.Phys., 131,024505(2009)
SCEI calculation on CsCaBr3 Pm3m a=5.69A
   2.000    1
    10   1
 5608.586000      845.1952200      190.9857700      51.09832300
  76.40198800      8.051275000      32.41457200      5.294224000
 0.8276950000     0.3412390000
 0.001783470309
 0.013153044943
 0.056080771188
 0.160973431185
-0.008755649612
-0.088721445265
-0.076109580278
-0.541376901881
 0.724108938160
 0.453258040657
    7    1
  207.9018000      48.16632700      14.51329700      4.744746000
  1.851743000     0.7115060000     0.2836070000
 -0.010044216440
 -0.064241566951
 -0.184417378383
 -0.159329812725
  0.313537148145
  0.601990945182
  0.252064110668
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  320521.1700      43615.57550      9383.508000      2461.197590
  766.6869320      262.3348150      82.58399700      29.04093830
  12.94796380      2.981192000      1.391500000     0.6639500000
 0.6754616971E-01 0.8986780803E-01 0.1685389262     0.3015766599
 0.4922291399     0.7015459325     0.8052618722      1.544159787
  1.508792307      1.001805695      1.840990614     0.4776850880
M2
    0
COREREP
   1.000
PROJOP
    1
   10    3    2    2    2
  298.2869996      33.50536802      4.384204839
  5608.586000      845.1952200      190.9857700      51.09832300
  76.40198800      8.051275000      32.41457200      5.294224000
 0.8276950000     0.3412390000
  0.017374614382 -0.005125974868  0.001783470309
  0.125182443054 -0.037738287275  0.013153044943
  0.416553163873 -0.156976187503  0.056080771188
  0.318725897111 -0.408928879109  0.160973431185
  0.150684681403  0.015125925867 -0.008755649612
  0.070162064678  0.195589420512 -0.088721445265
  0.089527328934  0.179428282809 -0.076109580278
 -0.040938149145  0.785086167271 -0.541376901881
  0.004777285945  0.136952528356  0.724108938160
 -0.002262921266 -0.051285913787  0.453258040657
    7    2    6    6
  27.15801898      2.593279319
  207.9018000      48.16632700      14.51329700      4.744746000
  1.851743000     0.7115060000     0.2836070000
  0.030284433081 -0.010044216440
  0.186870702697 -0.064241566951
  0.502628005078 -0.184417378383
  0.442515138267 -0.159329812725
  0.023274523361  0.313537148145
  0.018705624877  0.601990945182
 -0.006410867087  0.252064110668
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran, J.Chem.Phys., 131,024505(2009)
SCEI calculation on CsCaBr3 Pm3m a=5.69A
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  320521.1700      43615.57550      9383.508000      2461.197590
  766.6869320      262.3348150      82.58399700      29.04093830
  12.94796380      2.981192000      1.391500000     0.6639500000
 0.6754616971E-01 0.8986780803E-01 0.1685389262     0.3015766599
 0.4922291399     0.7015459325     0.8052618722      1.544159787
  1.508792307      1.001805695      1.840990614     0.4776850880
M2
    0
COREREP
   1.000
PROJOP
    1
   10    3    2    2    2
  298.2869996      33.50536802      4.384204839
  5608.586000      845.1952200      190.9857700      51.09832300
  76.40198800      8.051275000      32.41457200      5.294224000
 0.8276950000     0.3412390000
  0.017374614382 -0.005125974868  0.001783470309
  0.125182443054 -0.037738287275  0.013153044943
  0.416553163873 -0.156976187503  0.056080771188
  0.318725897111 -0.408928879109  0.160973431185
  0.150684681403  0.015125925867 -0.008755649612
  0.070162064678  0.195589420512 -0.088721445265
  0.089527328934  0.179428282809 -0.076109580278
 -0.040938149145  0.785086167271 -0.541376901881
  0.004777285945  0.136952528356  0.724108938160
 -0.002262921266 -0.051285913787  0.453258040657
    7    2    6    6
  27.15801898      2.593279319
  207.9018000      48.16632700      14.51329700      4.744746000
  1.851743000     0.7115060000     0.2836070000
  0.030284433081 -0.010044216440
  0.186870702697 -0.064241566951
  0.502628005078 -0.184417378383
  0.442515138267 -0.159329812725
  0.023274523361  0.313537148145
  0.018705624877  0.601990945182
 -0.006410867087  0.252064110668
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Br.ECP.Sanchez-Sanz.0s.0s.0e-AIMP-CsCaBr3.
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran, J.Chem.Phys., 131,024505(2009)
SCEI calculation on CsCaBr3 Pm3m a=5.69A
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   16
  485195.1200      97696.44990      28062.92540      9198.258340
  3207.401950      1277.824813      529.0775340      185.8634370
  76.17073040      33.67765770      11.66095900      5.750448440
  2.590443750     0.9156750000     0.4221900000     0.2007800000
 -.2273991535     -.2163726378     -.3674393349     -.5958811575
 -.9692449066     -1.278255602     -1.648504348     -2.447568515
 -5.023998359     -2.087232568     -5.829741718     -6.986034482
 -1.861257101     -2.850369080     -3.161661780     -.4490392564
M2
    0
COREREP
   1.000
PROJOP
    2
    9    4    2    2    2    2
  997.5945100      134.3301100      20.40400000      1.838812839
  8934.747710      1227.843300      261.0091240      25.08448110
  9.675807810      5.450490620      2.272826240     0.3906786120
 0.1475413850
  0.055411250703  0.017323643715  0.006943508078 -0.001903664520
  0.287394342374  0.110580112004  0.044822562889 -0.013198500677
  0.711687988821  0.342704100935  0.145575233374 -0.042861000622
  0.223923492556 -0.796802231473 -0.593705121134  0.185400309066
 -0.301211162341 -0.303614658677 -0.326800585707  0.131766935377
  0.228347648037  0.010633033899  0.546475683468 -0.242643130017
 -0.061768634098 -0.005676175167  0.809540390005 -0.503889151052
  0.013508956280  0.000652207553  0.052355309451  0.701208144751
 -0.005939876055 -0.000281080412 -0.017430546870  0.493892732881
    8    3    6    6    6
  118.1459200      15.10786900     0.6993968570
  588.0172400      135.4790460      41.42742360      6.040086280
  2.728309220     0.5785604340     0.2350971270     0.9001089520E-01
  0.063113809040  0.019089373708 -0.004362017781
  0.195460232460  0.111752143574 -0.027172904012
  0.742544265496  0.276621199608 -0.065919836118
  0.309845603373 -0.423549838824  0.145410486019
 -0.152720424014 -0.589981827210  0.161005837582
  0.053585306832 -0.111467259157 -0.300555169294
 -0.036476858479  0.050161888139 -0.627804158199
  0.012398995611 -0.015235201284 -0.197149021799
    6    1   10
  6.315109000
  96.24691000      29.06600500      10.97346000      4.425689100
  1.804591000     0.6835000000
  0.026631030892
  0.134401869453
  0.326604458671
  0.429958068251
  0.302954728768
  0.074571884697
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.6. CaFeO3                                                        *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.2.6.a. CaFeO3                                                    *
*             /Fe.ECP.Sadoc.0s.0s.0e-Fe(CaFeO3).                               *
*             /Ca.ECP.Sadoc.0s.0s.0e-Ca(CaFeO3).                               *
*             /O.ECP.Sadoc.0s.0s.0e-O(CaFeO3).                                 *
*             /O.ECP.Sadoc.11s6p.1s1p.0e-O(CaFeO3).                            *
*             /Fe.ECP.Sadoc.22s16p.1s1p.0e-Fe(CaFeO3).                         *
********************************************************************************
*   HT phase of CaFeO3; Woodward et al. PRB 62, 844 (2000)
********************************************************************************
/Fe.ECP.Sadoc.0s.0s.0e-Fe(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the HT phase of CaFeO3; Woodward et al. PRB 62, 844 (2000)
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  374540.0000      57264.00000      13468.50000      3744.700000
  1185.900000      414.2900000      140.8570000      52.17800000
  23.88500000      5.683000000      2.499930000     0.8644300000
 0.4335980078E-01 0.5230783376E-01 0.9521361536E-01 0.1685840075
 0.2788945230     0.3695126253     0.4338955803     0.8565601217
 0.7760064769     0.9347245647      1.288960816     0.2019800351
M2
    0
COREREP
   1.000
PROJOP
    2
   22    3    2    2    2
  524.3152937      65.57777960      9.587748988
  61132.62000      9179.342000      2090.857000      589.2479000
  188.7543000      64.44629000      1259.980000      299.8761000
  96.84917000      36.31020000      14.72996000      6.066075000
  50.43485000      16.83929000      7.192086000      3.053420000
  1.273643000     0.5040910000      1.950316000     0.7367210000
 0.1141770000     0.4114800000E-01
 -0.001753999892 -0.000535513757  0.000203759018
 -0.013437603017 -0.004102634957  0.001561022215
 -0.066273707721 -0.020234027577  0.007698897629
 -0.229895040118 -0.070189261194  0.026706494024
 -0.476416486857 -0.145454731063  0.055344447853
 -0.347796316613 -0.106185703251  0.040402873618
 -0.000082403696 -0.002536131501  0.001113477915
 -0.001089714445 -0.033538048220  0.014724739626
 -0.004278093024 -0.131666502935  0.057807626743
  0.001061273456  0.032662722355 -0.014340431471
  0.020981399032  0.645742722706 -0.283510638273
  0.015219656869  0.468414077158 -0.205655239032
  0.010889447212  0.001716872873  0.004773260479
 -0.041455880758 -0.010671457089 -0.082895049641
 -0.012555517276  0.019139938537 -0.287463694475
 -0.004031729592 -0.079968225355  0.303606464377
  0.002526307369 -0.076826210294  0.735634674708
  0.000913267330 -0.009746973421  0.161013004628
 -0.000111478031  0.131025762326  0.102326127696
 -0.002145103937  0.032073530896  0.047921025147
 -0.000048511669 -0.000179391843 -0.024781025078
  0.000015812665  0.000008680595  0.003775354429
   16    2    6    6
  56.53156667      6.664043020
  1259.980000      299.8761000      96.84917000      36.31020000
  14.72996000      6.066075000      50.43485000      16.83929000
  7.192086000      3.053420000      1.273643000     0.5040910000
  1.950316000     0.7367210000     0.1141770000     0.4114800000E-01
  0.004014248696 -0.001555327145
  0.031338958393 -0.012142330078
  0.136363889273 -0.052834409287
  0.347531356968 -0.134651585928
  0.460214286275 -0.178310769004
  0.203607303636 -0.078887978859
  0.000344105404 -0.007744607197
 -0.000676307450 -0.033389233587
  0.005426983306  0.073243602658
 -0.019885199545  0.435706093014
 -0.021162051074  0.488361838672
 -0.002933445910  0.109798962991
  0.038334743732  0.052750024200
  0.009094353726  0.045505874739
  0.000033794289 -0.015873816568
 -0.000021944136  0.002630015887
    4    1    4
  1.214415712
  23.14994000      6.122368000      1.846601000     0.5043610000
 -0.071006751102
 -0.310436729279
 -0.561353930261
 -0.363110506770
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ca.ECP.Sadoc.0s.0s.0e-Ca(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the HT phase of CaFeO3; Woodward et al. PRB 62, 844 (2000)
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  330341.1700      45341.57550      9825.508000      2607.347590
  801.1269320      273.9638150      92.71899700      32.52323830
  14.25576380      3.194332000      1.603070000     0.6566210000
 0.6777444713E-01 0.8955773530E-01 0.1664460214     0.2970548324
 0.5011401621     0.6873648934     0.7604778323      1.502593814
  1.677405101     0.8971997831      2.052461435     0.3005239430
M2
    0
COREREP
   1.000
PROJOP
    1
   22    3    2    2    2
  298.2505639      33.18924326      4.016882770
  35264.86000      5295.503000      1206.020000      339.6839000
  108.6264000      36.92103000      706.3096000      167.8187000
  53.82558000      20.01638000      7.970279000      3.212059000
  14.19518000      4.880828000      2.160390000     0.9878990000
 0.4495170000     0.1873870000      1.032271000     0.3811710000
 0.6513100000E-01 0.2601000000E-01
  0.001808769690  0.000528560094 -0.000180309406
  0.013848712729  0.004046881671 -0.001380525770
  0.068183306439  0.019924579165 -0.006796935819
  0.235004214984  0.068673115608 -0.023426680955
  0.480806490788  0.140501648999 -0.047929779734
  0.342087270469  0.099965009881 -0.034101385562
 -0.000051570454  0.002514793842 -0.001030428161
 -0.000682802811  0.033296358172 -0.013643068694
 -0.002582954640  0.125955812552 -0.051609962691
  0.000909342033 -0.044343370502  0.018169544151
  0.012906136804 -0.629357915453  0.257877249789
  0.009452726035 -0.460954973835  0.188874721379
 -0.003838145436  0.001170037006  0.011772347453
  0.008063280281 -0.010926188542  0.222583436864
 -0.028307161615  0.013730746398  0.041038878487
 -0.002930686141 -0.013167404488 -0.370924645410
 -0.078400053548 -0.036854289162 -0.647652527116
 -0.008619101681 -0.005851230581 -0.095781926420
  0.029979073431 -0.003711375928 -0.212792292309
  0.072221657937  0.038001918489  0.056388733001
  0.001647819235  0.001100397161  0.026390959233
 -0.000429652188 -0.000364682080 -0.006994087715
   16    2    6    6
  26.80902217      2.211403872
  706.3096000      167.8187000      53.82558000      20.01638000
  7.970279000      3.212059000      14.19518000      4.880828000
  2.160390000     0.9878990000     0.4495170000     0.1873870000
  1.032271000     0.3811710000     0.6513100000E-01 0.2601000000E-01
 -0.004010683222  0.001866415296
 -0.030931303361  0.014394220268
 -0.133405692724  0.062081797966
 -0.335986809932  0.156355136182
 -0.462012227820  0.215002442546
 -0.225209264714  0.104803594108
  0.000552394321  0.018232811765
 -0.001514250952  0.016930187275
  0.000503040335 -0.299523620302
 -0.232513372282 -1.461204844509
  0.068642400786  0.212332148624
  0.005282769949 -0.090953181324
  0.208119879452  0.782113414541
 -0.056519431455 -0.366711521646
 -0.000904240011  0.038910854859
  0.000248235530 -0.011964657271
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Sadoc.0s.0s.0e-O(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the HT phase of CaFeO3; Woodward et al. PRB 62, 844 (2000)
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  249710.0000      26795.00000      4723.600000      1082.800000
  302.9000000      96.67000000      33.99900000      11.04400000
  3.466800000      1.302200000     0.5152200000     0.6819700000E-01
 -.2391287004E-01 -.3820356439E-01 -.7802710437E-01 -.1414874166
 -.2520985498     -.4134361559     -.4949495606     -.4627783927
 -.9231103535     -1.281818414     -.8851623212     -.5015296351E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.47094206      2.070696924
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507933544 -0.000106962886
  0.003927951997 -0.000829834128
  0.020235470101 -0.004304442567
  0.079160131721 -0.017344879306
  0.230610813220 -0.054251291688
  0.432817978738 -0.125619728202
  0.349970706443 -0.161796026388
  0.043982855978  0.143832800138
 -0.008931637819  0.466885825100
  0.003813518356  0.559983866488
 -0.000707786139 -0.047948643888
    6    1    6
 0.6158052801
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
  0.013420664536
  0.085581841682
  0.251912401330
  0.426900454342
  0.519017054010
 -0.091415436354
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Sadoc.11s6p.1s1p.0e-O(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the HT phase of CaFeO3; Woodward et al. PRB 62, 844 (2000)
  -2.000    1
   11    1
      15330.00000
      2299.000000
      522.4000000
      147.3000000
      47.55000000
      16.76000000
      6.207000000
      1.752000000
      0.688200000
      0.238400000
      0.737600000E-01
 -0.000106962886
 -0.000829834128
 -0.004304442567
 -0.017344879306
 -0.054251291688
 -0.125619728202
 -0.161796026388
  0.143832800138
  0.466885825100
  0.559983866488
 -0.047948643888
    6    1
      34.46000000
      7.749000000
      2.280000000
      0.715600000
      0.214000000
      0.597400000E-01
  0.013420664536
  0.085581841682
  0.251912401330
  0.426900454342
  0.519017054010
 -0.091415436354
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  249710.0000      26795.00000      4723.600000      1082.800000
  302.9000000      96.67000000      33.99900000      11.04400000
  3.466800000      1.302200000     0.5152200000     0.6819700000E-01
 -.2391287004E-01 -.3820356439E-01 -.7802710437E-01 -.1414874166
 -.2520985498     -.4134361559     -.4949495606     -.4627783927
 -.9231103535     -1.281818414     -.8851623212     -.5015296351E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.47094206      2.070696924
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507933544 -0.000106962886
  0.003927951997 -0.000829834128
  0.020235470101 -0.004304442567
  0.079160131721 -0.017344879306
  0.230610813220 -0.054251291688
  0.432817978738 -0.125619728202
  0.349970706443 -0.161796026388
  0.043982855978  0.143832800138
 -0.008931637819  0.466885825100
  0.003813518356  0.559983866488
 -0.000707786139 -0.047948643888
    6    1    6
 0.6158052801
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
  0.013420664536
  0.085581841682
  0.251912401330
  0.426900454342
  0.519017054010
 -0.091415436354
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Fe.ECP.Sadoc.22s16p.1s1p.0e-Fe(CaFeO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the HT phase of CaFeO3; Woodward et al. PRB 62, 844 (2000)
   4.000    1
   22    1
      61132.62000
      9179.342000
      2090.857000
      589.2479000
      188.7543000
      64.44629000
      1259.980000
      299.8761000
      96.84917000
      36.31020000
      14.72996000
      6.066075000
      50.43485000
      16.83929000
      7.192086000
      3.053420000
      1.273643000
      0.504091000
      1.950316000
      0.736721000
      0.114177000
      0.411480000E-01
  0.000203759018
  0.001561022215
  0.007698897629
  0.026706494024
  0.055344447853
  0.040402873618
  0.001113477915
  0.014724739626
  0.057807626743
 -0.014340431471
 -0.283510638273
 -0.205655239032
  0.004773260479
 -0.082895049641
 -0.287463694475
  0.303606464377
  0.735634674708
  0.161013004628
  0.102326127696
  0.047921025147
 -0.024781025078
  0.003775354429
   16    1
      1259.980000
      299.8761000
      96.84917000
      36.31020000
      14.72996000
      6.066075000
      50.43485000
      16.83929000
      7.192086000
      3.053420000
      1.273643000
      0.504091000
      1.950316000
      0.736721000
      0.114177000
      0.411480000E-01
 -0.001555327145
 -0.012142330078
 -0.052834409287
 -0.134651585928
 -0.178310769004
 -0.078887978859
 -0.007744607197
 -0.033389233587
  0.073243602658
  0.435706093014
  0.488361838672
  0.109798962991
  0.052750024200
  0.045505874739
 -0.015873816568
  0.002630015887
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  374540.0000      57264.00000      13468.50000      3744.700000
  1185.900000      414.2900000      140.8570000      52.17800000
  23.88500000      5.683000000      2.499930000     0.8644300000
 0.4335980078E-01 0.5230783376E-01 0.9521361536E-01 0.1685840075
 0.2788945230     0.3695126253     0.4338955803     0.8565601217
 0.7760064769     0.9347245647      1.288960816     0.2019800351
M2
    0
COREREP
   1.000
PROJOP
    2
   22    3    2    2    2
  524.3152937      65.57777960      9.587748988
  61132.62000      9179.342000      2090.857000      589.2479000
  188.7543000      64.44629000      1259.980000      299.8761000
  96.84917000      36.31020000      14.72996000      6.066075000
  50.43485000      16.83929000      7.192086000      3.053420000
  1.273643000     0.5040910000      1.950316000     0.7367210000
 0.1141770000     0.4114800000E-01
 -0.001753999892 -0.000535513757  0.000203759018
 -0.013437603017 -0.004102634957  0.001561022215
 -0.066273707721 -0.020234027577  0.007698897629
 -0.229895040118 -0.070189261194  0.026706494024
 -0.476416486857 -0.145454731063  0.055344447853
 -0.347796316613 -0.106185703251  0.040402873618
 -0.000082403696 -0.002536131501  0.001113477915
 -0.001089714445 -0.033538048220  0.014724739626
 -0.004278093024 -0.131666502935  0.057807626743
  0.001061273456  0.032662722355 -0.014340431471
  0.020981399032  0.645742722706 -0.283510638273
  0.015219656869  0.468414077158 -0.205655239032
  0.010889447212  0.001716872873  0.004773260479
 -0.041455880758 -0.010671457089 -0.082895049641
 -0.012555517276  0.019139938537 -0.287463694475
 -0.004031729592 -0.079968225355  0.303606464377
  0.002526307369 -0.076826210294  0.735634674708
  0.000913267330 -0.009746973421  0.161013004628
 -0.000111478031  0.131025762326  0.102326127696
 -0.002145103937  0.032073530896  0.047921025147
 -0.000048511669 -0.000179391843 -0.024781025078
  0.000015812665  0.000008680595  0.003775354429
   16    2    6    6
  56.53156667      6.664043020
  1259.980000      299.8761000      96.84917000      36.31020000
  14.72996000      6.066075000      50.43485000      16.83929000
  7.192086000      3.053420000      1.273643000     0.5040910000
  1.950316000     0.7367210000     0.1141770000     0.4114800000E-01
  0.004014248696 -0.001555327145
  0.031338958393 -0.012142330078
  0.136363889273 -0.052834409287
  0.347531356968 -0.134651585928
  0.460214286275 -0.178310769004
  0.203607303636 -0.078887978859
  0.000344105404 -0.007744607197
 -0.000676307450 -0.033389233587
  0.005426983306  0.073243602658
 -0.019885199545  0.435706093014
 -0.021162051074  0.488361838672
 -0.002933445910  0.109798962991
  0.038334743732  0.052750024200
  0.009094353726  0.045505874739
  0.000033794289 -0.015873816568
 -0.000021944136  0.002630015887
    4    1    4
  1.214415712
  23.14994000      6.122368000      1.846601000     0.5043610000
 -0.071006751102
 -0.310436729279
 -0.561353930261
 -0.363110506770
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.2.7. LaMnO3                                                        *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.2.7.a. LaMnO3                                                    *
*             /La.ECP.deGraaf.0s.0s.0e-La(LaMnO3).                             *
*             /Mn.ECP.deGraaf.0s.0s.0e-Mn(LaMnO3).                             *
*             /O.ECP.deGraaf.0s.0s.0e-O1(LaMnO3).                              *
*             /O.ECP.deGraaf.0s.0s.0e-O2(LaMnO3).                              *
*             /Mn.ECP.deGraaf.22s16p.1s1p.0e-Mn(LaMnO3).                       *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-O1(LaMnO3).                         *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-O2(LaMnO3).                         *
********************************************************************************
*   Structure reported in PRB 57, 3189 (1998)
********************************************************************************
/La.ECP.deGraaf.0s.0s.0e-La(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in PRB 57, 3189 (1998)
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  564660.0000      114953.0000      33431.00000      11037.54000
  4045.670000      1606.040000      598.3670000      248.0150000
  105.6672000      41.28850000      25.67208000      5.454900000
  2.950090000     0.9224300000     0.4577150000
 0.1404710627     0.1330876457     0.2249911217     0.3593600844
 0.5231032691     0.6289255314     0.9233766559      1.941080321
 0.8556277983      2.867100326      2.006478336      3.868693487
  1.156776848      1.899278513     0.4716490004
M2
    0
COREREP
   1.000
PROJOP
    2
   15    5    2    2    2    2    2
  2881.669500      466.7522900      103.1902400      22.28483800
  3.642759500
  121600.0000      17260.00000      4201.000000      1325.000000
  485.7000000      177.5000000      85.25000000      41.05000000
  16.06000000      8.254000000      3.482000000      1.747000000
 0.3123000000     0.6139000000     0.1450000000
  0.013978134013  0.005101717516  0.002298766892  0.001090331900  0.000441185140
  0.062456141058  0.023419680075  0.010859749963  0.005059329301  0.002060311998
  0.196625140182  0.078624597252  0.035880201876  0.017089535004  0.006917577094
  0.400592290371  0.188355430603  0.090890629686  0.042588561010  0.017386461984
  0.402737980373  0.254176930814  0.123989449572  0.060798693014  0.024638382978
  0.106008750098 -0.083033305266 -0.048831456831 -0.029186099007 -0.011685453989
 -0.023910763022 -0.596653211910 -0.533911618157 -0.279793360064 -0.117889239893
  0.002619860702 -0.429085141373 -0.414911428568 -0.260941130059 -0.111262089899
 -0.001102835501 -0.053492914171  0.720933557512  0.688344130157  0.325097129706
  0.007127388907  0.016152997052  0.594308627949  0.730061350166  0.376579579659
 -0.003397318203 -0.006693378821  0.059753085794 -0.779556510178 -0.566298799487
 -0.000717511051  0.002156576907 -0.007183681175 -0.713516410163 -0.754848029316
  0.000824159451  0.001195286904 -0.001327521795  0.009576247902  0.697787329368
 -0.000149589530 -0.001271140904  0.002603383091 -0.047882921011  0.639969969420
 -0.000022498533 -0.000200952301  0.000386196239 -0.001973273800  0.092833891916
   10    4    6    6    6    6
  418.3231900      87.30099800      16.89491800      1.655956951
  2016.483550      452.0637680      137.7791000      20.53733130
  10.71480700      4.697095770      2.559928280     0.5182039050
 0.2009226900     0.3800000000E-01
  0.055226062693  0.021357090065  0.009725985030 -0.003497723482
  0.172406827150  0.112773489183  0.053598306206 -0.021825689102
  0.730212075192  0.339927057570  0.158135225349 -0.058396200013
  0.499663928672 -0.499784236675 -0.452731417829  0.174404423647
 -0.432011313966 -0.478799299228 -0.146158592490  0.096880204908
  0.262488527315 -0.093812533475  0.120179435553 -0.195805905000
 -0.117434530020  0.004060009300  0.922837753261 -0.413341151345
  0.021339617008 -0.000602149981  0.123097136849  0.783631863954
 -0.010798317481 -0.000053426992 -0.041234601294  0.366487337438
  0.001996446919  0.000012101462  0.007171449955 -0.028527197840
    8    2   10   10
  64.29973100      8.813133800
  334.6000000      103.2000000      40.50000000      17.56000000
  7.986000000      3.679000000      1.677000000     0.7092000000
  0.029148935059  0.013250518057
  0.154582740311  0.072457252313
  0.378585310763  0.176789980765
  0.448617750904  0.183247940793
  0.195839080395 -0.142998240619
  0.018735311038 -0.514790802227
  0.000460486001 -0.412404831784
 -0.000309389851 -0.090423018391
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Mn.ECP.deGraaf.0s.0s.0e-Mn(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in PRB 57, 3189 (1998)
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  370650.0000      56137.00000      13075.30000      3606.800000
  1134.870000      394.0300000      133.2240000      48.50300000
  21.87070000      5.165600000      2.243590000     0.7778400000
 0.5545090941E-01 0.6749062710E-01 0.1234118314     0.2190471104
 0.3646091844     0.4889397183     0.5694611705      1.131058318
  1.054957363      1.180090087      1.703090517     0.3757264977
M2
    0
COREREP
   1.000
PROJOP
    2
   22    3    2    2    2
  481.5462845      58.78618014      7.911942289
  56347.14000      8460.943000      1927.325000      543.2343000
  173.9905000      59.36005000      1165.412000      277.3276000
  89.47278000      33.48256000      13.54037000      5.557972000
  45.83532000      15.18777000      6.500710000      2.751583000
  1.145404000     0.4536870000      1.757999000     0.6670220000
 0.1051290000     0.3841800000E-01
 -0.001759544967 -0.000534269155 -0.000199611434
 -0.013478618199 -0.004092654688 -0.001529080729
 -0.066451531127 -0.020177377707 -0.007538588466
 -0.230279024738 -0.069922043652 -0.026123984960
 -0.476644421018 -0.144728561583 -0.054072887013
 -0.347198909616 -0.105423658719 -0.039387951653
 -0.000080944056 -0.002485931773 -0.001070370355
 -0.001078138573 -0.033111497680 -0.014256853675
 -0.004251515613 -0.130571387425 -0.056220264713
  0.001001463416  0.030756671165  0.013242933453
  0.020924856061  0.642638469695  0.276701546895
  0.015399136140  0.472934067249  0.203631737218
  0.010875309483  0.001958749978 -0.004272915252
 -0.042659717374 -0.011795827605  0.081238571905
 -0.010253990063  0.020137913450  0.280835985478
 -0.008690652124 -0.087719035929 -0.302928790680
 -0.003474433144 -0.092833040234 -0.730244527745
 -0.000226883775 -0.013808742937 -0.176663471656
  0.007425553299  0.147600279536 -0.085375559804
  0.000969292064  0.042200495017 -0.045812605334
  0.000005887198  0.000402112222  0.017447817418
 -0.000000930561 -0.000146344146 -0.001493228850
   16    2    6    6
  50.19441831      5.197402114
  1165.412000      277.3276000      89.47278000      33.48256000
  13.54037000      5.557972000      45.83532000      15.18777000
  6.500710000      2.751583000      1.145404000     0.4536870000
  1.757999000     0.6670220000     0.1051290000     0.3841800000E-01
 -0.003964051811  0.001494868895
 -0.030927601360  0.011662993190
 -0.134738413285  0.050810703949
 -0.344585328801  0.129945296963
 -0.461376214757  0.173987875360
 -0.208361786432  0.078574541487
 -0.000348792994  0.007497634684
  0.000952343057  0.032021490280
 -0.005711148297 -0.068921255024
  0.021924725388 -0.429606440816
  0.025680427341 -0.512971469887
  0.003844063137 -0.150368370364
 -0.043353823565 -0.028859439125
 -0.011700490134 -0.016999965172
 -0.000122432878  0.017629261622
  0.000054246366 -0.002477542341
    4    1    4
 0.2473988502
  20.94355000      5.510486000      1.665038000     0.4617330000
 -0.064326662691
 -0.284341200272
 -0.520474258455
 -0.440347732593
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.deGraaf.0s.0s.0e-O1(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in PRB 57, 3189 (1998)
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  250460.0000      26942.00000      4757.000000      1091.000000
  305.1900000      97.47000000      34.33400000      11.20400000
  3.523800000      1.334400000     0.5290900000     0.7011000000E-01
 -.2385887216E-01 -.3805128670E-01 -.7768119999E-01 -.1409016421
 -.2509542224     -.4114315928     -.4941673548     -.4594218042
 -.9072517608     -1.262140530     -.9264589543     -.7680779919E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.34887178      1.948511747
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507935163 -0.000107243443
  0.003927946217 -0.000831546472
  0.020235575554 -0.004316873271
  0.079159727368 -0.017375563369
  0.230612404227 -0.054431055705
  0.432816199499 -0.125755845387
  0.349981699751 -0.162686528572
  0.043955121117  0.146493886595
 -0.008935745085  0.460490649247
  0.003939960832  0.581953337861
 -0.000891589971 -0.074247724368
    6    1    6
 0.4958586203
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
 -0.013414728109
 -0.085241755488
 -0.252294940123
 -0.421790484634
 -0.531274851363
  0.107242188861
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.deGraaf.0s.0s.0e-O2(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in PRB 57, 3189 (1998)
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  251260.0000      27101.00000      4794.900000      1101.700000
  308.9000000      98.99000000      35.00300000      11.48000000
  3.595800000      1.358100000     0.5394800000     0.7282000000E-01
 -.2383823693E-01 -.3794361942E-01 -.7738166497E-01 -.1401605084
 -.2489854855     -.4076201744     -.4938506336     -.4597513334
 -.8942494762     -1.284931342     -.9225867381     -.8700787516E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.31583262      1.938430662
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507919855 -0.000107206905
  0.003927815377 -0.000832360428
  0.020234985042 -0.004312691739
  0.079156838305 -0.017404397872
  0.230605136682 -0.054322271142
  0.432787013894 -0.126153196040
  0.349983532497 -0.161556910231
  0.044005774973  0.141842593830
 -0.008910338149  0.467280199714
  0.003929393974  0.582304998121
 -0.000891742912 -0.080529854113
    6    1    6
 0.4835258699
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
  0.013395420664
  0.085952429995
  0.250336859208
  0.432961472674
  0.520602904422
 -0.109676838395
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mn.ECP.deGraaf.22s16p.1s1p.0e-Mn(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in PRB 57, 3189 (1998)
   3.000    1
   22    1
      56347.14000
      8460.943000
      1927.325000
      543.2343000
      173.9905000
      59.36005000
      1165.412000
      277.3276000
      89.47278000
      33.48256000
      13.54037000
      5.557972000
      45.83532000
      15.18777000
      6.500710000
      2.751583000
      1.145404000
      0.453687000
      1.757999000
      0.667022000
      0.105129000
      0.384180000E-01
 -0.000199611434
 -0.001529080729
 -0.007538588466
 -0.026123984960
 -0.054072887013
 -0.039387951653
 -0.001070370355
 -0.014256853675
 -0.056220264713
  0.013242933453
  0.276701546895
  0.203631737218
 -0.004272915252
  0.081238571905
  0.280835985478
 -0.302928790680
 -0.730244527745
 -0.176663471656
 -0.085375559804
 -0.045812605334
  0.017447817418
 -0.001493228850
   16    1
      1165.412000
      277.3276000
      89.47278000
      33.48256000
      13.54037000
      5.557972000
      45.83532000
      15.18777000
      6.500710000
      2.751583000
      1.145404000
      0.453687000
      1.757999000
      0.667022000
      0.105129000
      0.384180000E-01
  0.001494868895
  0.011662993190
  0.050810703949
  0.129945296963
  0.173987875360
  0.078574541487
  0.007497634684
  0.032021490280
 -0.068921255024
 -0.429606440816
 -0.512971469887
 -0.150368370364
 -0.028859439125
 -0.016999965172
  0.017629261622
 -0.002477542341
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  370650.0000      56137.00000      13075.30000      3606.800000
  1134.870000      394.0300000      133.2240000      48.50300000
  21.87070000      5.165600000      2.243590000     0.7778400000
 0.5545090941E-01 0.6749062710E-01 0.1234118314     0.2190471104
 0.3646091844     0.4889397183     0.5694611705      1.131058318
  1.054957363      1.180090087      1.703090517     0.3757264977
M2
    0
COREREP
   1.000
PROJOP
    2
   22    3    2    2    2
  481.5462845      58.78618014      7.911942289
  56347.14000      8460.943000      1927.325000      543.2343000
  173.9905000      59.36005000      1165.412000      277.3276000
  89.47278000      33.48256000      13.54037000      5.557972000
  45.83532000      15.18777000      6.500710000      2.751583000
  1.145404000     0.4536870000      1.757999000     0.6670220000
 0.1051290000     0.3841800000E-01
 -0.001759544967 -0.000534269155 -0.000199611434
 -0.013478618199 -0.004092654688 -0.001529080729
 -0.066451531127 -0.020177377707 -0.007538588466
 -0.230279024738 -0.069922043652 -0.026123984960
 -0.476644421018 -0.144728561583 -0.054072887013
 -0.347198909616 -0.105423658719 -0.039387951653
 -0.000080944056 -0.002485931773 -0.001070370355
 -0.001078138573 -0.033111497680 -0.014256853675
 -0.004251515613 -0.130571387425 -0.056220264713
  0.001001463416  0.030756671165  0.013242933453
  0.020924856061  0.642638469695  0.276701546895
  0.015399136140  0.472934067249  0.203631737218
  0.010875309483  0.001958749978 -0.004272915252
 -0.042659717374 -0.011795827605  0.081238571905
 -0.010253990063  0.020137913450  0.280835985478
 -0.008690652124 -0.087719035929 -0.302928790680
 -0.003474433144 -0.092833040234 -0.730244527745
 -0.000226883775 -0.013808742937 -0.176663471656
  0.007425553299  0.147600279536 -0.085375559804
  0.000969292064  0.042200495017 -0.045812605334
  0.000005887198  0.000402112222  0.017447817418
 -0.000000930561 -0.000146344146 -0.001493228850
   16    2    6    6
  50.19441831      5.197402114
  1165.412000      277.3276000      89.47278000      33.48256000
  13.54037000      5.557972000      45.83532000      15.18777000
  6.500710000      2.751583000      1.145404000     0.4536870000
  1.757999000     0.6670220000     0.1051290000     0.3841800000E-01
 -0.003964051811  0.001494868895
 -0.030927601360  0.011662993190
 -0.134738413285  0.050810703949
 -0.344585328801  0.129945296963
 -0.461376214757  0.173987875360
 -0.208361786432  0.078574541487
 -0.000348792994  0.007497634684
  0.000952343057  0.032021490280
 -0.005711148297 -0.068921255024
  0.021924725388 -0.429606440816
  0.025680427341 -0.512971469887
  0.003844063137 -0.150368370364
 -0.043353823565 -0.028859439125
 -0.011700490134 -0.016999965172
 -0.000122432878  0.017629261622
  0.000054246366 -0.002477542341
    4    1    4
 0.2473988502
  20.94355000      5.510486000      1.665038000     0.4617330000
 -0.064326662691
 -0.284341200272
 -0.520474258455
 -0.440347732593
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.deGraaf.11s6p.1s1p.0e-O1(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in PRB 57, 3189 (1998)
  -2.000    1
   11    1
      15330.00000
      2299.000000
      522.4000000
      147.3000000
      47.55000000
      16.76000000
      6.207000000
      1.752000000
      0.688200000
      0.238400000
      0.737600000E-01
 -0.000107243443
 -0.000831546472
 -0.004316873271
 -0.017375563369
 -0.054431055705
 -0.125755845387
 -0.162686528572
  0.146493886595
  0.460490649247
  0.581953337861
 -0.074247724368
    6    1
      34.46000000
      7.749000000
      2.280000000
      0.715600000
      0.214000000
      0.597400000E-01
 -0.013414728109
 -0.085241755488
 -0.252294940123
 -0.421790484634
 -0.531274851363
  0.107242188861
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  250460.0000      26942.00000      4757.000000      1091.000000
  305.1900000      97.47000000      34.33400000      11.20400000
  3.523800000      1.334400000     0.5290900000     0.7011000000E-01
 -.2385887216E-01 -.3805128670E-01 -.7768119999E-01 -.1409016421
 -.2509542224     -.4114315928     -.4941673548     -.4594218042
 -.9072517608     -1.262140530     -.9264589543     -.7680779919E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.34887178      1.948511747
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507935163 -0.000107243443
  0.003927946217 -0.000831546472
  0.020235575554 -0.004316873271
  0.079159727368 -0.017375563369
  0.230612404227 -0.054431055705
  0.432816199499 -0.125755845387
  0.349981699751 -0.162686528572
  0.043955121117  0.146493886595
 -0.008935745085  0.460490649247
  0.003939960832  0.581953337861
 -0.000891589971 -0.074247724368
    6    1    6
 0.4958586203
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
 -0.013414728109
 -0.085241755488
 -0.252294940123
 -0.421790484634
 -0.531274851363
  0.107242188861
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.deGraaf.11s6p.1s1p.0e-O2(LaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in PRB 57, 3189 (1998)
  -2.000    1
   11    1
      15330.00000
      2299.000000
      522.4000000
      147.3000000
      47.55000000
      16.76000000
      6.207000000
      1.752000000
      0.688200000
      0.238400000
      0.737600000E-01
 -0.000107206905
 -0.000832360428
 -0.004312691739
 -0.017404397872
 -0.054322271142
 -0.126153196040
 -0.161556910231
  0.141842593830
  0.467280199714
  0.582304998121
 -0.080529854113
    6    1
      34.46000000
      7.749000000
      2.280000000
      0.715600000
      0.214000000
      0.597400000E-01
  0.013395420664
  0.085952429995
  0.250336859208
  0.432961472674
  0.520602904422
 -0.109676838395
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  251260.0000      27101.00000      4794.900000      1101.700000
  308.9000000      98.99000000      35.00300000      11.48000000
  3.595800000      1.358100000     0.5394800000     0.7282000000E-01
 -.2383823693E-01 -.3794361942E-01 -.7738166497E-01 -.1401605084
 -.2489854855     -.4076201744     -.4938506336     -.4597513334
 -.8942494762     -1.284931342     -.9225867381     -.8700787516E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.31583262      1.938430662
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507919855 -0.000107206905
  0.003927815377 -0.000832360428
  0.020234985042 -0.004312691739
  0.079156838305 -0.017404397872
  0.230605136682 -0.054322271142
  0.432787013894 -0.126153196040
  0.349983532497 -0.161556910231
  0.044005774973  0.141842593830
 -0.008910338149  0.467280199714
  0.003929393974  0.582304998121
 -0.000891742912 -0.080529854113
    6    1    6
 0.4835258699
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
  0.013395420664
  0.085952429995
  0.250336859208
  0.432961472674
  0.520602904422
 -0.109676838395
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.2.8. CaMnO3                                                        *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.2.8.a. CaMnO3                                                    *
*             /Ca.ECP.deGraaf.0s.0s.0e-Ca(CaMnO3).                             *
*             /Mn.ECP.deGraaf.0s.0s.0e-Mn(CaMnO3).                             *
*             /O.ECP.Graaf.0s.0s.0e-O(CaMnO3).                                 *
*             /Mn.ECP.deGraaf.22s16p.1s1p.0e-Mn(CaMnO3).                       *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-O(CaMnO3).                          *
********************************************************************************
*   Structure reported in J. Solid State Chem. 45, 71 (1982)
********************************************************************************
/Ca.ECP.deGraaf.0s.0s.0e-Ca(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in J. Solid State Chem. 45, 71 (1982)
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  333461.1700      46083.57550      10024.90800      2673.347590
  824.9369320      283.5438150      97.21399700      33.92313830
  14.70626380      4.343382000      1.811390000     0.9235780000
 0.6668203594E-01 0.8769351056E-01 0.1627201239     0.2890654791
 0.4879274680     0.6719497304     0.7293964031      1.413207137
  1.725762755     0.5243504781      2.063810154     0.7774347246
M2
    0
COREREP
   1.000
PROJOP
    1
   22    3    2    2    2
  298.1959288      33.13488720      3.964191498
  35264.86000      5295.503000      1206.020000      339.6839000
  108.6264000      36.92103000      706.3096000      167.8187000
  53.82558000      20.01638000      7.970279000      3.212059000
  14.19518000      4.880828000      2.160390000     0.9878990000
 0.4495170000     0.1873870000      1.032271000     0.3811710000
 0.6513100000E-01 0.2601000000E-01
  0.001808769314  0.000528558786 -0.000180271085
  0.013848709846  0.004046871652 -0.001380232369
  0.068183292242  0.019924529839 -0.006795491279
  0.235004166054  0.068672945597 -0.023421702127
  0.480806390679  0.140501301165 -0.047919593310
  0.342087199243  0.099964762402 -0.034094138061
 -0.000051569822  0.002514764623 -0.001030748496
 -0.000682794445  0.033295971315 -0.013647309983
 -0.002582922992  0.125954349124 -0.051626006941
  0.000909330891 -0.044342855295  0.018175192609
  0.012905978668 -0.629350603206  0.257957417392
  0.009452610213 -0.460949618192  0.188933437818
 -0.003837800610  0.001174011546  0.011847262397
  0.008063638639 -0.010950233325  0.221696375691
 -0.028307900504  0.013797808829  0.043908275995
 -0.002933145169 -0.012904030190 -0.360125432463
 -0.078414282730 -0.035340216869 -0.584621859696
 -0.008624245550 -0.005352211575 -0.080926649763
  0.029983245474 -0.004152622435 -0.230747804598
  0.072238070076  0.036258693845 -0.013825515430
  0.001650446217  0.000878831630  0.023206959820
 -0.000430113125 -0.000311568950 -0.006289468733
   16    2    6    6
  26.75467403      2.158453854
  706.3096000      167.8187000      53.82558000      20.01638000
  7.970279000      3.212059000      14.19518000      4.880828000
  2.160390000     0.9878990000     0.4495170000     0.1873870000
  1.032271000     0.3811710000     0.6513100000E-01 0.2601000000E-01
 -0.004010664499  0.001598700050
 -0.030931158965  0.012329539254
 -0.133405069950  0.053176896750
 -0.335985241454  0.133927837233
 -0.462010071021  0.184162879666
 -0.225208213376  0.089770755447
  0.000552246981  0.015518604893
 -0.001516208203  0.015060439361
  0.000497856230 -0.260479421069
 -0.232968519315 -1.483561036218
  0.069176951551  0.079762555252
  0.005434183042  0.054306844357
  0.208517651422  0.883311957204
 -0.057110184998 -0.445092492266
 -0.000944770523  0.029421259436
  0.000258334290 -0.008851190105
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Mn.ECP.deGraaf.0s.0s.0e-Mn(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in J. Solid State Chem. 45, 71 (1982)
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  369310.0000      55770.00000      12980.70000      3577.200000
  1125.300000      391.5800000      132.5150000      48.40000000
  21.97640000      5.077900000      2.281370000     0.8041700000
 0.4139500709E-01 0.5047695980E-01 0.9226233156E-01 0.1641090225
 0.2724113934     0.3632990573     0.4223512719     0.8413119042
 0.7716567739     0.8709291074      1.182892128     0.1769050432
M2
    0
COREREP
   1.000
PROJOP
    2
   22    3    2    2    2
  482.4099605      59.70895669      8.661376728
  56347.14000      8460.943000      1927.325000      543.2343000
  173.9905000      59.36005000      1165.412000      277.3276000
  89.47278000      33.48256000      13.54037000      5.557972000
  45.83532000      15.18777000      6.500710000      2.751583000
  1.145404000     0.4536870000      1.757999000     0.6670220000
 0.1051290000     0.3841800000E-01
 -0.001759500306 -0.000534333116  0.000202489176
 -0.013478276087 -0.004093144648  0.001551125059
 -0.066449844469 -0.020179793283  0.007647270187
 -0.230273179847 -0.069930414511  0.026500607144
 -0.476632322935 -0.144745888055  0.054852440700
 -0.347190097090 -0.105436279725  0.039955796734
 -0.000080603994 -0.002485368618  0.001085059869
 -0.001073609089 -0.033103996708  0.014452511425
 -0.004233654112 -0.130541808202  0.056991818575
  0.000997256060  0.030749703648 -0.013424676398
  0.020836946391  0.642492888437 -0.280498934694
  0.015334441168  0.472826930282 -0.206426331911
  0.010827496513  0.001832560702  0.004567467297
 -0.042606602292 -0.011651997498 -0.083790092351
 -0.010167582407  0.020976777815 -0.285689044589
 -0.008677785104 -0.089739620903  0.296299449371
 -0.003443484306 -0.096797468176  0.692573578976
 -0.000221895422 -0.014608676573  0.143275741311
  0.007405503589  0.151234836810  0.142420567401
  0.000945375459  0.044678972091  0.076568901160
  0.000013920337 -0.000045114004 -0.031597140182
 -0.000003318047 -0.000013588779  0.005984352191
   16    2    6    6
  51.11063189      5.913778789
  1165.412000      277.3276000      89.47278000      33.48256000
  13.54037000      5.557972000      45.83532000      15.18777000
  6.500710000      2.751583000      1.145404000     0.4536870000
  1.757999000     0.6670220000     0.1051290000     0.3841800000E-01
  0.003963790773  0.001525551149
  0.030925564736  0.011902376671
  0.134729540582  0.051853596028
  0.344562637400  0.132612430272
  0.461345832522  0.177558984654
  0.208348065533  0.080187287633
  0.000341218594  0.007617792676
 -0.000666744466  0.033403778239
  0.005772098737 -0.072564004517
 -0.022557236142 -0.434041223636
 -0.026578272836 -0.476474921066
 -0.004242854880 -0.101988630512
  0.043977928547 -0.064089762339
  0.012370070349 -0.055154708797
  0.000090110578  0.021389299967
 -0.000039957923 -0.004416442083
    4    1    3
 0.7616616908
  20.94355000      5.510486000      1.665038000     0.4617330000
 -0.068425291230
 -0.301962966753
 -0.554256517137
 -0.379277771510
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Graaf.0s.0s.0e-O(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in J. Solid State Chem. 45, 71 (1982)
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  249060.0000      26668.00000      4693.600000      1074.600000
  300.4800000      96.01000000      33.86000000      11.03100000
  3.479800000      1.311800000     0.5283600000     0.6999700000E-01
 -.2401077984E-01 -.3841922914E-01 -.7852950038E-01 -.1424684994
 -.2537080512     -.4147004171     -.4946695969     -.4648436431
 -.9144961096     -1.317495318     -.8506062865     -.6052568822E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.41174540      2.069437696
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507891625  0.000106981872
  0.003927603398  0.000832611097
  0.020233831014  0.004298707395
  0.079152538380  0.017431268831
  0.230590295685  0.054044081655
  0.432741977934  0.126700567598
  0.349965855818  0.159200731804
  0.044151539179 -0.132015340710
 -0.008895496832 -0.487433724340
  0.003750898124 -0.554097656358
 -0.000636541442  0.058312520907
    6    1    6
 0.6060339420
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
  0.013327371156
  0.086543037271
  0.247037044811
  0.448747824542
  0.499320626205
 -0.096303150521
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mn.ECP.deGraaf.22s16p.1s1p.0e-Mn(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in J. Solid State Chem. 45, 71 (1982)
   4.000    0
   22    1
      56347.14000
      8460.943000
      1927.325000
      543.2343000
      173.9905000
      59.36005000
      1165.412000
      277.3276000
      89.47278000
      33.48256000
      13.54037000
      5.557972000
      45.83532000
      15.18777000
      6.500710000
      2.751583000
      1.145404000
      0.453687000
      1.757999000
      0.667022000
      0.105129000
      0.384180000E-01
  0.000202489176
  0.001551125059
  0.007647270187
  0.026500607144
  0.054852440700
  0.039955796734
  0.001085059869
  0.014452511425
  0.056991818575
 -0.013424676398
 -0.280498934694
 -0.206426331911
  0.004567467297
 -0.083790092351
 -0.285689044589
  0.296299449371
  0.692573578976
  0.143275741311
  0.142420567401
  0.076568901160
 -0.031597140182
  0.005984352191
   16    1
      1165.412000
      277.3276000
      89.47278000
      33.48256000
      13.54037000
      5.557972000
      45.83532000
      15.18777000
      6.500710000
      2.751583000
      1.145404000
      0.453687000
      1.757999000
      0.667022000
      0.105129000
      0.384180000E-01
  0.001525551149
  0.011902376671
  0.051853596028
  0.132612430272
  0.177558984654
  0.080187287633
  0.007617792676
  0.033403778239
 -0.072564004517
 -0.434041223636
 -0.476474921066
 -0.101988630512
 -0.064089762339
 -0.055154708797
  0.021389299967
 -0.004416442083
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  369310.0000      55770.00000      12980.70000      3577.200000
  1125.300000      391.5800000      132.5150000      48.40000000
  21.97640000      5.077900000      2.281370000     0.8041700000
 0.4139500709E-01 0.5047695980E-01 0.9226233156E-01 0.1641090225
 0.2724113934     0.3632990573     0.4223512719     0.8413119042
 0.7716567739     0.8709291074      1.182892128     0.1769050432
M2
    0
COREREP
   1.000
PROJOP
    2
   22    3    2    2    2
  482.4099605      59.70895669      8.661376728
  56347.14000      8460.943000      1927.325000      543.2343000
  173.9905000      59.36005000      1165.412000      277.3276000
  89.47278000      33.48256000      13.54037000      5.557972000
  45.83532000      15.18777000      6.500710000      2.751583000
  1.145404000     0.4536870000      1.757999000     0.6670220000
 0.1051290000     0.3841800000E-01
 -0.001759500306 -0.000534333116  0.000202489176
 -0.013478276087 -0.004093144648  0.001551125059
 -0.066449844469 -0.020179793283  0.007647270187
 -0.230273179847 -0.069930414511  0.026500607144
 -0.476632322935 -0.144745888055  0.054852440700
 -0.347190097090 -0.105436279725  0.039955796734
 -0.000080603994 -0.002485368618  0.001085059869
 -0.001073609089 -0.033103996708  0.014452511425
 -0.004233654112 -0.130541808202  0.056991818575
  0.000997256060  0.030749703648 -0.013424676398
  0.020836946391  0.642492888437 -0.280498934694
  0.015334441168  0.472826930282 -0.206426331911
  0.010827496513  0.001832560702  0.004567467297
 -0.042606602292 -0.011651997498 -0.083790092351
 -0.010167582407  0.020976777815 -0.285689044589
 -0.008677785104 -0.089739620903  0.296299449371
 -0.003443484306 -0.096797468176  0.692573578976
 -0.000221895422 -0.014608676573  0.143275741311
  0.007405503589  0.151234836810  0.142420567401
  0.000945375459  0.044678972091  0.076568901160
  0.000013920337 -0.000045114004 -0.031597140182
 -0.000003318047 -0.000013588779  0.005984352191
   16    2    6    6
  51.11063189      5.913778789
  1165.412000      277.3276000      89.47278000      33.48256000
  13.54037000      5.557972000      45.83532000      15.18777000
  6.500710000      2.751583000      1.145404000     0.4536870000
  1.757999000     0.6670220000     0.1051290000     0.3841800000E-01
  0.003963790773  0.001525551149
  0.030925564736  0.011902376671
  0.134729540582  0.051853596028
  0.344562637400  0.132612430272
  0.461345832522  0.177558984654
  0.208348065533  0.080187287633
  0.000341218594  0.007617792676
 -0.000666744466  0.033403778239
  0.005772098737 -0.072564004517
 -0.022557236142 -0.434041223636
 -0.026578272836 -0.476474921066
 -0.004242854880 -0.101988630512
  0.043977928547 -0.064089762339
  0.012370070349 -0.055154708797
  0.000090110578  0.021389299967
 -0.000039957923 -0.004416442083
    4    1    3
 0.7616616908
  20.94355000      5.510486000      1.665038000     0.4617330000
 -0.068425291230
 -0.301962966753
 -0.554256517137
 -0.379277771510
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.deGraaf.11s6p.1s1p.0e-O(CaMnO3).
A. Sadoc, R. Broer, C. de Graaf, J. Chem. Phys. 126, 134709 (2007)
From a SCEI calculation on the structure reported in J. Solid State Chem. 45, 71 (1982)
  -2.000    1
   11    1
      15330.00000
      2299.000000
      522.4000000
      147.3000000
      47.55000000
      16.76000000
      6.207000000
      1.752000000
      0.688200000
      0.238400000
      0.737600000E-01
  0.000106981872
  0.000832611097
  0.004298707395
  0.017431268831
  0.054044081655
  0.126700567598
  0.159200731804
 -0.132015340710
 -0.487433724340
 -0.554097656358
  0.058312520907
    6    1
      34.46000000
      7.749000000
      2.280000000
      0.715600000
      0.214000000
      0.597400000E-01
  0.013327371156
  0.086543037271
  0.247037044811
  0.448747824542
  0.499320626205
 -0.096303150521
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  249060.0000      26668.00000      4693.600000      1074.600000
  300.4800000      96.01000000      33.86000000      11.03100000
  3.479800000      1.311800000     0.5283600000     0.6999700000E-01
 -.2401077984E-01 -.3841922914E-01 -.7852950038E-01 -.1424684994
 -.2537080512     -.4147004171     -.4946695969     -.4648436431
 -.9144961096     -1.317495318     -.8506062865     -.6052568822E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.41174540      2.069437696
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507891625  0.000106981872
  0.003927603398  0.000832611097
  0.020233831014  0.004298707395
  0.079152538380  0.017431268831
  0.230590295685  0.054044081655
  0.432741977934  0.126700567598
  0.349965855818  0.159200731804
  0.044151539179 -0.132015340710
 -0.008895496832 -0.487433724340
  0.003750898124 -0.554097656358
 -0.000636541442  0.058312520907
    6    1    6
 0.6060339420
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
  0.013327371156
  0.086543037271
  0.247037044811
  0.448747824542
  0.499320626205
 -0.096303150521
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
*    E.3. Rocksalt structure oxides and halides                                *
********************************************************************************
********************************************************************************
*                                                                              *
********************************************************************************
*         E.3.1. MgO                                                           *
********************************************************************************
*           E.3.1.a. MgO (a=4.2112 A)                                          *
*             /Mg.ECP.Pascual.10s4p.1s1p.0e-AIMP-MgO.                          *
*             /Mg.ECP.Pascual.0s.0s.0e-AIMP-MgO.                               *
*             /Mg.ECP.Pascual.0s.0s.0e-AIMP-MgO-065.                           *
*             /O.ECP.Pascual.8s6p.1s1p.0e-AIMP-MgO.                            *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-MgO.                                *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-MgO-065.                            *
********************************************************************************
*         E.3.2. CaO                                                           *
********************************************************************************
*           E.3.2.a. CaO (a=4.8105 A)                                          *
*             /Ca.ECP.Pascual.13s7p.1s1p.0e-AIMP-CaO.                          *
*             /Ca.ECP.Pascual.0s.0s.0e-AIMP-CaO.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-CaO.                                *
********************************************************************************
*         E.3.3. SrO                                                           *
********************************************************************************
*           E.3.3.a. SrO (a=5.1602 A)                                          *
*             /Sr.ECP.Pascual.16s10p.1s1p.0e-AIMP-SrO.                         *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrO.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-SrO.                                *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrO-QR.                            *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-SrO-QR.                             *
********************************************************************************
*         E.3.4. NiO                                                           *
********************************************************************************
*           E.3.4.a. NiO (a=4.164 A)                                           *
*             /Ni.ECP.Seijo.14s11p6d.1s1p1d.0e-AIMP-NiO.                       *
*             /Ni.ECP.Seijo.0s.0s.0e-AIMP-NiO.                                 *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-NiO.                                  *
********************************************************************************
*         E.3.5. LiF                                                           *
********************************************************************************
*           E.3.5.a. LiF (a=4.028 A)                                           *
*             /Li.ECP.Seijo.4s.1s.0e-AIMP-LiF.                                 *
*             /Li.ECP.Seijo.0s.0s.0e-AIMP-LiF.                                 *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-LiF.                                  *
********************************************************************************
*         E.3.6. NaF                                                           *
********************************************************************************
*           E.3.6.a. NaF (a=4.634 A)                                           *
*             /Na.ECP.Seijo.6s3p.1s1p.0e-AIMP-NaF.                             *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-NaF.                                 *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-NaF.                                  *
********************************************************************************
*         E.3.7. KF                                                            *
********************************************************************************
*           E.3.7.a. KF (a=5.348 A)                                            *
*             /K.ECP.Seijo.10s7p.1s1p.0e-AIMP-KF.                              *
*             /K.ECP.Seijo.0s.0s.0e-AIMP-KF.                                   *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-KF.                                   *
********************************************************************************
*         E.3.8. NaCl                                                          *
********************************************************************************
*           E.3.8.a. NaCl (a=5.64056 A)                                        *
*             /Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-NaCl.                      *
*             /Na.ECP.Barandiaran.0s.0s.0e-AIMP-NaCl.                          *
*             /Cl.ECP.Barandiaran.0s.0s.0e-AIMP-NaCl.                          *
********************************************************************************
*         E.3.9. KCl                                                           *
********************************************************************************
*           E.3.9.a. KCl (a=6.2933 A)                                          *
*             /K.ECP.Pascual.10s7p.1s1p.0e-AIMP-KCl.                           *
*             /K.ECP.Pascual.0s.0s.0e-AIMP-KCl.                                *
*             /Cl.ECP.Pascual.0s.0s.0e-AIMP-KCl.                               *
********************************************************************************
*         E.3.10. MnO                                                          *
********************************************************************************
*           E.3.10.a. MnO (a=4.267 A)                                          *
*             /Mn.ECP.Pascual.0s.0s.0e-AIMP-MnO.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-MnO.                                *
********************************************************************************
*         E.3.11. CoO                                                          *
********************************************************************************
*           E.3.11.a. CoO (a=4.4.03145 A)                                      *
*             /Co.ECP.deGraaf.0s.0s.0e-AIMP-Co(CoO).                           *
*             /Co.ECP.deGraaf.22s16p.1s1p.0e-AIMP-Co(CoO).                     *
*             /O.ECP.deGraaf.0s.0s.0e-AIMP-O(CoO).                             *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-AIMP-O(CoO).                        *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*    E.3. Rocksalt structure oxides and halides                                *
********************************************************************************
*                                                                              *
********************************************************************************
*         E.3.1. MgO                                                           *
********************************************************************************
*           E.3.1.a. MgO (a=4.2112 A)                                          *
*             /Mg.ECP.Pascual.10s4p.1s1p.0e-AIMP-MgO.                          *
*             /Mg.ECP.Pascual.0s.0s.0e-AIMP-MgO.                               *
*             /Mg.ECP.Pascual.0s.0s.0e-AIMP-MgO-065.                           *
*             /O.ECP.Pascual.8s6p.1s1p.0e-AIMP-MgO.                            *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-MgO.                                *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-MgO-065.                            *
********************************************************************************
/Mg.ECP.Pascual.10s4p.1s1p.0e-AIMP-MgO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
M.A.Nygren, L.G.M.Pettersson, Z.Barandiaran, L.Seijo, J.Chem.Phys.100(1994)2010.
* with orthogonality-functions
* MG-MGO-(10/4)                 (A0/4)
  2.000000         1

   10    1
   1878.638200
   284.1134600
   64.18707000
   17.11882000
   25.86957000
   2.405580000
   .8294600000
   .9091800000
   .1014600000
   .3698000000E-01
  -.005220389990
  -.036044063600
  -.125330739000
  -.145401203000
  -.091012608300
   .596123896000
   .508857706000
   .003535396150
   .005778377630
  -.006809260440
    4    1
   49.11481000
   11.09001000
   3.139020000
   .8969100000
   .042311631200
   .230671413000
   .518471734000
   .431267241000
*
* External AIMP: MG(MGO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   344151.1700
   49413.57550
   10760.50800
   2849.497590
   872.4769320
   303.8848150
   109.5689970
   39.55493830
   12.91096380
   4.685792000
   1.833400000
   1.084900000

   .031575047700
   .040468796350
   .076223426000
   .132364756500
   .223980631500
   .363503941000
   .531840945000
   .484401123000
   .910411490000
  1.563187350000
   .623163230000
   .018879258300
M2
    0
COREREP
   1.0
PROJOP
    1
   10    2
  97.6581142      7.20532529
   1878.638200
   284.1134600
   64.18707000
   17.11882000
   25.86957000
   2.405580000
   .8294600000
   .9091800000
   .1014600000
   .3698000000E-01
   .018908808000  -.005220389990
   .130555433000  -.036044063600
   .453961273000  -.125330739000
   .526658627000  -.145401203000
  -.006366326590  -.091012608300
   .041698831400   .596123896000
   .035594566600   .508857706000
  -.049692457100   .003535396150
   .001421884340   .005778377630
  -.000765323055  -.006809260440
    4    1
  4.24781545
   49.11481000
   11.09001000
   3.139020000
   .8969100000
   .042311631200
   .230671413000
   .518471734000
   .431267241000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mg.ECP.Pascual.0s.0s.0e-AIMP-MgO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
M.A.Nygren, L.G.M.Pettersson, Z.Barandiaran, L.Seijo, J.Chem.Phys.100(1994)2010.
  2.000    0
    0    0
*
* External AIMP: MG(MGO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   344151.1700
   49413.57550
   10760.50800
   2849.497590
   872.4769320
   303.8848150
   109.5689970
   39.55493830
   12.91096380
   4.685792000
   1.833400000
   1.084900000

   .031575047700
   .040468796350
   .076223426000
   .132364756500
   .223980631500
   .363503941000
   .531840945000
   .484401123000
   .910411490000
  1.563187350000
   .623163230000
   .018879258300
M2
    0
COREREP
   1.0
PROJOP
    1
   10    2
  97.6581142      7.20532529
   1878.638200
   284.1134600
   64.18707000
   17.11882000
   25.86957000
   2.405580000
   .8294600000
   .9091800000
   .1014600000
   .3698000000E-01
   .018908808000  -.005220389990
   .130555433000  -.036044063600
   .453961273000  -.125330739000
   .526658627000  -.145401203000
  -.006366326590  -.091012608300
   .041698831400   .596123896000
   .035594566600   .508857706000
  -.049692457100   .003535396150
   .001421884340   .005778377630
  -.000765323055  -.006809260440
    4    1
  4.24781545
   49.11481000
   11.09001000
   3.139020000
   .8969100000
   .042311631200
   .230671413000
   .518471734000
   .431267241000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Mg.ECP.Pascual.0s.0s.0e-AIMP-MgO-065.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
M.A.Nygren, L.G.M.Pettersson, Z.Barandiaran, L.Seijo, J.Chem.Phys.100(1994)2010.
  2.000    0
    0    0
*
* External AIMP: MG(MGO)0.65
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   344151.1700
   49413.57550
   10760.50800
   2849.497590
   872.4769320
   303.8848150
   109.5689970
   39.55493830
   12.91096380
   4.685792000
   1.833400000
   1.084900000

   .031575047700
   .040468796350
   .076223426000
   .132364756500
   .223980631500
   .363503941000
   .531840945000
   .484401123000
   .910411490000
  1.563187350000
   .623163230000
   .018879258300
M2
    0
COREREP
   1.0
PROJOP
    1
   10    2
  63.4777742      4.68346144
   1878.638200
   284.1134600
   64.18707000
   17.11882000
   25.86957000
   2.405580000
   .8294600000
   .9091800000
   .1014600000
   .3698000000E-01
   .018908808000  -.005220389990
   .130555433000  -.036044063600
   .453961273000  -.125330739000
   .526658627000  -.145401203000
  -.006366326590  -.091012608300
   .041698831400   .596123896000
   .035594566600   .508857706000
  -.049692457100   .003535396150
   .001421884340   .005778377630
  -.000765323055  -.006809260440
    4    1
  2.76108004
   49.11481000
   11.09001000
   3.139020000
   .8969100000
   .042311631200
   .230671413000
   .518471734000
   .431267241000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Pascual.8s6p.1s1p.0e-AIMP-MgO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
M.A.Nygren, L.G.M.Pettersson, Z.Barandiaran, and L.Seijo,JCP 100(1994)2010
* with orthogonality-functions
* O-MGO-(8/6)                   (8/6)
 -2.000000         1

    8    1
   2048.047800
   309.0989100
   70.41409800
   19.70116900
   6.031447000
   10.22971600
   .9340920000
   .2862470000
  -.001415897820
  -.010488741000
  -.045447911700
  -.111154683000
  -.092968722700
  -.076441871700
   .456406313000
   .646949516000
    6    1
   34.97117600
   7.845092000
   2.303316000
   .7219820000
   .2155270000
   .5900000000E-01
   .012957434600
   .081763613200
   .256447185000
   .402444089000
   .546474632000
  -.095506230300
*
* External AIMP: O(MGO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   313071.8300
   41494.01200
   8477.183000
   2111.186000
   623.1143300
   211.0850000
   82.33621900
   33.33063000
   11.59193600
   3.551241600
   1.240000000
   .4260000000

  -.020363416250
  -.027113564200
  -.055159605000
  -.091442923500
  -.168910012500
  -.240961361500
  -.391563494000
  -.412984849500
  -.485633673000
  -.877403505000
 -1.515899210000
  -.712564385000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  40.5689268      2.12207128
   2048.047800
   309.0989100
   70.41409800
   19.70116900
   6.031447000
   10.22971600
   .9340920000
   .2862470000
   .006180236860  -.001415897820
   .045782190500  -.010488741000
   .198375092000  -.045447911700
   .485177860000  -.111154683000
   .405798159000  -.092968722700
  -.002033410510  -.076441871700
   .017967843900   .456406313000
  -.002742634110   .646949516000
    6    1
  .682504637
   34.97117600
   7.845092000
   2.303316000
   .7219820000
   .2155270000
   .5900000000E-01
   .012957434600
   .081763613200
   .256447185000
   .402444089000
   .546474632000
  -.095506230300
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Pascual.0s.0s.0e-AIMP-MgO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
M.A.Nygren, L.G.M.Pettersson, Z.Barandiaran, and L.Seijo,JCP 100(1994)2010
 -2.000    0
    0    0
*
* External AIMP: O(MGO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   313071.8300
   41494.01200
   8477.183000
   2111.186000
   623.1143300
   211.0850000
   82.33621900
   33.33063000
   11.59193600
   3.551241600
   1.240000000
   .4260000000

  -.020363416250
  -.027113564200
  -.055159605000
  -.091442923500
  -.168910012500
  -.240961361500
  -.391563494000
  -.412984849500
  -.485633673000
  -.877403505000
 -1.515899210000
  -.712564385000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  40.5689268      2.12207128
   2048.047800
   309.0989100
   70.41409800
   19.70116900
   6.031447000
   10.22971600
   .9340920000
   .2862470000
   .006180236860  -.001415897820
   .045782190500  -.010488741000
   .198375092000  -.045447911700
   .485177860000  -.111154683000
   .405798159000  -.092968722700
  -.002033410510  -.076441871700
   .017967843900   .456406313000
  -.002742634110   .646949516000
    6    1
  .682504637
   34.97117600
   7.845092000
   2.303316000
   .7219820000
   .2155270000
   .5900000000E-01
   .012957434600
   .081763613200
   .256447185000
   .402444089000
   .546474632000
  -.095506230300
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Pascual.0s.0s.0e-AIMP-MgO-065.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
M.A.Nygren, L.G.M.Pettersson, Z.Barandiaran, and L.Seijo,JCP 100(1994)2010
 -2.000    0
    0    0
*
* External AIMP: O(MGO)0.65
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   313071.8300
   41494.01200
   8477.183000
   2111.186000
   623.1143300
   211.0850000
   82.33621900
   33.33063000
   11.59193600
   3.551241600
   1.240000000
   .4260000000

  -.020363416250
  -.027113564200
  -.055159605000
  -.091442923500
  -.168910012500
  -.240961361500
  -.391563494000
  -.412984849500
  -.485633673000
  -.877403505000
 -1.515899210000
  -.712564385000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  26.3698020      1.37934600
   2048.047800
   309.0989100
   70.41409800
   19.70116900
   6.031447000
   10.22971600
   .9340920000
   .2862470000
   .006180236860  -.001415897820
   .045782190500  -.010488741000
   .198375092000  -.045447911700
   .485177860000  -.111154683000
   .405798159000  -.092968722700
  -.002033410510  -.076441871700
   .017967843900   .456406313000
  -.002742634110   .646949516000
    6    1
  .444362800
   34.97117600
   7.845092000
   2.303316000
   .7219820000
   .2155270000
   .5900000000E-01
   .012957434600
   .081763613200
   .256447185000
   .402444089000
   .546474632000
  -.095506230300
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.2. CaO                                                           *
********************************************************************************
*           E.3.2.a. CaO (a=4.8105 A)                                          *
*             /Ca.ECP.Pascual.13s7p.1s1p.0e-AIMP-CaO.                          *
*             /Ca.ECP.Pascual.0s.0s.0e-AIMP-CaO.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-CaO.                                *
********************************************************************************
/Ca.ECP.Pascual.13s7p.1s1p.0e-AIMP-CaO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
From a SCEI calculation on CaO.
* with orthogonality-functions
* CA-CAO-(13/7)                 (A3/7)
  2.000000         1

   13    1
   5603.506700
   844.7099200
   190.9831300
   51.12694200
   76.45090400
   8.052192800
   3.248802400
   5.303831800
   .8302780000
   .3424939400
   .4131538400
   .6262624000E-01
   .2511185000E-01
     .001929149180
     .013487850400
     .048413568100
     .059533077800
     .042579839800
    -.257073099000
    -.189693521000
    -.232826120000
     .763747247000
     .432365190000
     .012474449600
     .000090550048
    -.006666565400
    7    1
   207.6378600
   48.08815400
   14.48652000
   4.735302900
   1.842930900
   .6991148700
   .2641501700
    -.010860704500
    -.067450300200
    -.179353451000
    -.162650817000
     .321088974000
     .611855287000
     .240748901000
*
* External AIMP: CA(CAO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   326151.1700
   45013.57550
   9855.508000
   2649.497590
   845.4769320
   292.8848150
   96.61899700
   34.80493830
   15.23096380
   4.595792000
   1.658400000
   .7179000000

   .066717394500
   .087597259500
   .161847241000
   .282855664000
   .462121406000
   .677932710000
   .731415850000
  1.274464665000
  1.779450850000
   .618228960000
  2.151431645000
   .705936355000
M2
    0
COREREP
   1.0
PROJOP
    1
   13    3
  297.935140      33.2175240      4.02868515
   5603.506700
   844.7099200
   190.9831300
   51.12694200
   76.45090400
   8.052193000
   3.248802000
   5.303832000
   .8302780000
   .3424940000
   .4131540000
   .6262600000E-01
   .2511200000E-01
   .017573268300  -.005595436970   .001929149180
   .122865363000  -.039121088900   .013487850400
   .441015465000  -.140422043000   .048413568100
   .542306817000  -.172673834000   .059533077800
  -.002999475570  -.105768483000   .042579839800
   .018109144700   .638570551000  -.257073099000
   .013362687200   .471199425000  -.189693521000
   .008457646840  -.004164332880  -.232826120000
  -.027743899600   .013660399400   .763747247000
  -.015706107600   .007733292900   .432365190000
   .034219984300  -.006527958060   .012474449600
  -.002681226720  -.001644918860   .000090550048
   .001370514170   .000749413825  -.006666565400
    7    2
  26.8424474      2.22680973
   207.6378600
   48.08815400
   14.48652000
   4.735303000
   1.842931000
   .6991150000
   .2641500000
   .030184988800  -.010860704500
   .187463580000  -.067450300200
   .498474284000  -.179353451000
   .452052910000  -.162650817000
   .012870173800   .321088974000
   .023826266800   .611855287000
  -.008051553920   .240748901000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ca.ECP.Pascual.0s.0s.0e-AIMP-CaO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
From a SCEI calculation on CaO.
  2.000    0
    0    0
*
* External AIMP: CA(CAO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   326151.1700
   45013.57550
   9855.508000
   2649.497590
   845.4769320
   292.8848150
   96.61899700
   34.80493830
   15.23096380
   4.595792000
   1.658400000
   .7179000000

   .066717394500
   .087597259500
   .161847241000
   .282855664000
   .462121406000
   .677932710000
   .731415850000
  1.274464665000
  1.779450850000
   .618228960000
  2.151431645000
   .705936355000
M2
    0
COREREP
   1.0
PROJOP
    1
   13    3
  297.935140      33.2175240      4.02868515
   5603.506700
   844.7099200
   190.9831300
   51.12694200
   76.45090400
   8.052193000
   3.248802000
   5.303832000
   .8302780000
   .3424940000
   .4131540000
   .6262600000E-01
   .2511200000E-01
   .017573268300  -.005595436970   .001929149180
   .122865363000  -.039121088900   .013487850400
   .441015465000  -.140422043000   .048413568100
   .542306817000  -.172673834000   .059533077800
  -.002999475570  -.105768483000   .042579839800
   .018109144700   .638570551000  -.257073099000
   .013362687200   .471199425000  -.189693521000
   .008457646840  -.004164332880  -.232826120000
  -.027743899600   .013660399400   .763747247000
  -.015706107600   .007733292900   .432365190000
   .034219984300  -.006527958060   .012474449600
  -.002681226720  -.001644918860   .000090550048
   .001370514170   .000749413825  -.006666565400
    7    2
  26.8424474      2.22680973
   207.6378600
   48.08815400
   14.48652000
   4.735303000
   1.842931000
   .6991150000
   .2641500000
   .030184988800  -.010860704500
   .187463580000  -.067450300200
   .498474284000  -.179353451000
   .452052910000  -.162650817000
   .012870173800   .321088974000
   .023826266800   .611855287000
  -.008051553920   .240748901000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Pascual.0s.0s.0e-AIMP-CaO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
From a SCEI calculation on CaO.
 -2.000    0
    0    0
*
* External AIMP: O(CAO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   313071.8300
   41494.01200
   8477.183000
   2111.186000
   623.1143300
   211.0850000
   82.33621900
   33.33063000
   11.59193600
   3.551241600
   1.240000000
   .4260000000

  -.020354479600
  -.027126974600
  -.055099448500
  -.091540413000
  -.168651040000
  -.241401034500
  -.390732873500
  -.413750433000
  -.483634741500
  -.880937335000
 -1.498910735000
  -.727860495000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  40.3686706      1.90386315
   2048.047800
   309.0989100
   70.41409800
   19.70116900
   6.031447000
   10.22971600
   .9340920000
   .2862470000
   .006180125520  -.001426576460
   .045781365700  -.010567846600
   .198371518000  -.045790678000
   .485169119000  -.111993008000
   .405790848000  -.093669889100
  -.002013290160  -.077351755600
   .017990227800   .467745148000
  -.002797488780   .636851515000
    6    1
  .472039938
   34.97117600
   7.845092000
   2.303316000
   .7219820000
   .2155270000
   .5900000000E-01
   .013000431800
   .082034933200
   .257298166000
   .392908154000
   .559920262000
  -.103929650000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.3. SrO                                                           *
********************************************************************************
*           E.3.3.a. SrO (a=5.1602 A)                                          *
*             /Sr.ECP.Pascual.16s10p.1s1p.0e-AIMP-SrO.                         *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrO.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-SrO.                                *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrO-QR.                            *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-SrO-QR.                             *
********************************************************************************
/Sr.ECP.Pascual.16s10p.1s1p.0e-AIMP-SrO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
From a SCEI calculation on SrO.
* with orthogonalization-functions
* SR-SRO-(16/10)
  2.000    1
  16   1
   21292.43700
   3209.024500
   727.7900000
   196.0946600
   293.3112600
   33.28018200
   14.11378100
   25.92426000
   4.449256000
   1.974252000
   3.133996000
   .6033740000
   .2618210000
   .3292630000
   .5169900000E-01
   .2142700000E-01
    -.000813869235
    -.005717232340
    -.020981034600
    -.027019470800
    -.020611955600
     .120063989000
     .080088274400
     .122469256000
    -.384302750000
    -.190298489000
    -.298547037000
     .824376052000
     .434712381000
     .016049563400
    -.000211473214
    -.006346409950
  10   1
   931.8063900
   218.8950400
   68.13056800
   23.38244400
   10.69231200
   4.349435000
   1.837716000
   .9471840000
   .3932880000
   .1584010000
     .004000160190
     .026424904500
     .075913422900
     .070530283800
    -.158211011000
    -.266859036000
    -.093871952800
     .461639962000
     .597185957000
     .127136949000
*
* External AIMP: SR(SRO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   324151.1700
   45313.57550
   10160.50800
   2919.497590
   996.4769320
   324.8848150
   107.5689970
   39.75493830
   11.81096380
   5.645792000
   1.393400000
   .3949000000
   .5850000000
   .5140000000

   .164952414000
   .214660643500
   .392361601500
   .633912120000
   .880362215000
  1.197007315000
  2.579702535000
  1.773227260000
  4.396854135000
  2.370573185000
  2.059977630000
   .455325369000
  3.203882125000
 -2.322798555000
M2
    0
COREREP
   1.0
PROJOP
    2
   16    4
  1165.45663      160.184948      26.4485649      3.31256613
   21292.43700
   3209.024500
   727.7900000
   196.0946600
   293.3112600
   33.28018200
   14.11378100
   25.92426000
   4.449256000
   1.974252000
   3.133996000
   .6033740000
   .2618210000
   .3292630000
   .5169900000E-01
   .2142700000E-01
   .016682394300  -.005544675990   .003022742450  -.000813869235
   .117122694000  -.039013904100   .021209746200  -.005717232340
   .430074484000  -.142939041000   .077927145100  -.020981034600
   .554301916000  -.184254049000   .100430421000  -.027019470800
  -.005696363270  -.116423212000   .055800333600  -.020611955600
   .006093658030   .666272446000  -.330768129000   .120063989000
  -.034532294100   .435794966000  -.228053846000   .080088274400
   .065158284500   .012022161600  -.259897158000   .122469256000
   .045344810600   .026421895400   .868554958000  -.384302750000
   .031573426500   .011944320000   .420796857000  -.190298489000
  -.106712302000  -.022357972800  -.026623272300  -.298547037000
  -.027686264000  -.009331620570   .000846835672   .824376052000
  -.016288732300  -.005187671440   .000095186685   .434712381000
   .034318577700   .010371352100   .003377479080   .016049563400
  -.000632010008  -.000321668770  -.000870353474  -.000211473214
   .000365949056   .000182203521   .000402660695  -.006346409950
   10    3
  145.463503      20.9091427      1.72302736
   931.8063900
   218.8950400
   68.13056800
   23.38244400
   10.69231200
   4.349435000
   1.837716000
   .9471840000
   .3932880000
   .1584010000
   .025934061800  -.012078531200   .004000160190
   .171319416000  -.079790313400   .026424904500
   .492166141000  -.229221483000   .075913422900
   .457265873000  -.212967031000   .070530283800
   .014627498000   .363153833000  -.158211011000
   .024672619000   .612541953000  -.266859036000
   .008678990100   .215471472000  -.093871952800
  -.017952544100  -.000766788241   .461639962000
   .010946605600   .004022987680   .597185957000
  -.003713533110  -.000755907755   .127136949000
    4    1
  10.8762573
   81.91937400
   23.07403500
   7.649958000
   2.494336000
   .054225125900
   .270632963000
   .535763141000
   .393180302000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
From a SCEI calculation on SrO.
  2.000    0
    0    0
*
* External AIMP: SR(SRO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   324151.1700
   45313.57550
   10160.50800
   2919.497590
   996.4769320
   324.8848150
   107.5689970
   39.75493830
   11.81096380
   5.645792000
   1.393400000
   .3949000000
   .5850000000
   .5140000000

   .164952414000
   .214660643500
   .392361601500
   .633912120000
   .880362215000
  1.197007315000
  2.579702535000
  1.773227260000
  4.396854135000
  2.370573185000
  2.059977630000
   .455325369000
  3.203882125000
 -2.322798555000
M2
    0
COREREP
   1.0
PROJOP
    2
   16    4
  1165.45663      160.184948      26.4485649      3.31256613
   21292.43700
   3209.024500
   727.7900000
   196.0946600
   293.3112600
   33.28018200
   14.11378100
   25.92426000
   4.449256000
   1.974252000
   3.133996000
   .6033740000
   .2618210000
   .3292630000
   .5169900000E-01
   .2142700000E-01
   .016682394300  -.005544675990   .003022742450  -.000813869235
   .117122694000  -.039013904100   .021209746200  -.005717232340
   .430074484000  -.142939041000   .077927145100  -.020981034600
   .554301916000  -.184254049000   .100430421000  -.027019470800
  -.005696363270  -.116423212000   .055800333600  -.020611955600
   .006093658030   .666272446000  -.330768129000   .120063989000
  -.034532294100   .435794966000  -.228053846000   .080088274400
   .065158284500   .012022161600  -.259897158000   .122469256000
   .045344810600   .026421895400   .868554958000  -.384302750000
   .031573426500   .011944320000   .420796857000  -.190298489000
  -.106712302000  -.022357972800  -.026623272300  -.298547037000
  -.027686264000  -.009331620570   .000846835672   .824376052000
  -.016288732300  -.005187671440   .000095186685   .434712381000
   .034318577700   .010371352100   .003377479080   .016049563400
  -.000632010008  -.000321668770  -.000870353474  -.000211473214
   .000365949056   .000182203521   .000402660695  -.006346409950
   10    3
  145.463503      20.9091427      1.72302736
   931.8063900
   218.8950400
   68.13056800
   23.38244400
   10.69231200
   4.349435000
   1.837716000
   .9471840000
   .3932880000
   .1584010000
   .025934061800  -.012078531200   .004000160190
   .171319416000  -.079790313400   .026424904500
   .492166141000  -.229221483000   .075913422900
   .457265873000  -.212967031000   .070530283800
   .014627498000   .363153833000  -.158211011000
   .024672619000   .612541953000  -.266859036000
   .008678990100   .215471472000  -.093871952800
  -.017952544100  -.000766788241   .461639962000
   .010946605600   .004022987680   .597185957000
  -.003713533110  -.000755907755   .127136949000
    4    1
  10.8762573
   81.91937400
   23.07403500
   7.649958000
   2.494336000
   .054225125900
   .270632963000
   .535763141000
   .393180302000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Pascual.0s.0s.0e-AIMP-SrO.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
From a SCEI calculation on SrO.
 -2.000    0
    0    0
*
* External AIMP: O(SRO)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   293071.8300
   38794.01200
   7947.183000
   2001.186000
   608.1143300
   222.0850000
   95.03621900
   37.93063000
   12.39193600
   3.481241600
   1.160000000
   .4460000000

  -.020891640050
  -.028530558150
  -.055061354500
  -.096215714500
  -.156877146500
  -.222135609000
  -.326847601500
  -.473393188000
  -.475453263000
 -1.009369920000
 -1.365017415000
  -.770206590000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  40.3564456      1.84884530
   2048.047800
   309.0989100
   70.41409800
   19.70116900
   6.031447000
   10.22971600
   .9340920000
   .2862470000
   .006180400670  -.001431668540
   .045783403900  -.010605567900
   .198380349000  -.045954125200
   .485190719000  -.112392760000
   .405808915000  -.094004238400
  -.002012039640  -.077648235700
   .017872069400   .472935685000
  -.002790183560   .632210892000
    6    1
  .426984166
   34.97117600
   7.845092000
   2.303316000
   .7219820000
   .2155270000
   .5900000000E-01
   .013002412000
   .082047428700
   .257337357000
   .379130482000
   .569897293000
  -.090695387200
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrO-QR.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
From a SCEI calculation on SrO. QR-Sr.
  2.000    0
    0    0
*
* External AIMP: SRQR(SROQR)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   349051.1700
   50983.57550
   11650.50800
   3119.497590
   951.5769300
   290.9848150
   101.3689970
   40.16493830
   12.73096380
   6.078792000
   1.425400000
   .6776200000
   .2960500000

   .161401691500
   .204880678500
   .378720143500
   .685305230000
   .989461015000
  1.208046050000
  2.738557045000
  1.333595815000
  4.061341115000
  2.810104795000
  2.066387200000
  1.315361590000
   .046837631050
M2
    0
COREREP
   1.0
PROJOP
    2
    9    4
  1193.01160      167.406470      28.9214600      3.42222326
   11125.17870
   1502.480580
   315.6873190
   30.08629600
   11.43877900
   6.797458000
   3.008646000
   .5975230000
   .2608290000
   .054223570000   .017338352100   .007105407070  -.002347557490
   .282451746000   .109820483000   .045898568700  -.016314667000
   .715144396000   .346218226000   .150925034000  -.053563013800
   .238185400000  -.803293647000  -.624885789000   .235966336000
  -.368287954000  -.304096695000  -.325524469000   .171054996000
   .305598152000   .018675326700   .526159683000  -.307426548000
  -.086855620500  -.005582938510   .834094541000  -.629131671000
   .021215306800   .000470596009   .068230799500   .845112827000
  -.009644185120  -.000283274478  -.022324416900   .402106921000
    8    3
  148.512630      22.6216030      1.73853868
   724.6781420
   166.3789020
   50.89586600
   7.413567000
   3.481464000
   .9153840000
   .4192750000
   .1892480000
   .061374524200   .019642770300   .005955574630
   .190391006000   .111936562000   .037633523400
   .741320997000   .290721977000   .093236637000
   .342563119000  -.449713116000  -.217530749000
  -.194842703000  -.552336918000  -.213338974000
   .090599801200  -.118575698000   .409013735000
  -.066969803200   .051101211100   .551689598000
   .023189119400  -.015140745100   .176636895000
    6    1
  12.1819900
   125.9200000
   38.42000000
   14.76000000
   6.136000000
   2.613000000
   1.047000000
   .024974681000
   .129197730000
   .321038711000
   .431093431000
   .299029611000
   .069082032100
*
Spectral Representation Operator
Core primitive basis
Exchange
1stOrder Relativistic Correction
SRQR(SROQR)
End of Spectral Representation Operator

/O.ECP.Pascual.0s.0s.0e-AIMP-SrO-QR.
J.L.Pascual, L.Seijo, Z.Barandiaran, J.Chem.Phys. 98(1993)9715.
From a SCEI calculation on SrO. QR-Sr.
 -2.000    0
    0    0
*
* External AIMP: O(SROQR)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   293071.8300
   38794.01200
   7947.183000
   2001.186000
   608.1143300
   222.0850000
   95.03621900
   37.93063000
   12.39193600
   3.481241600
   1.160000000
   .4460000000

  -.020929560800
  -.028460346800
  -.055046924000
  -.096302906000
  -.156490063500
  -.222870742000
  -.325543193000
  -.474632963500
  -.473614668000
 -1.011332155000
 -1.358076030000
  -.776700445000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  40.3686327      1.85777111
   2048.047800
   309.0989100
   70.41409800
   19.70116900
   6.031447000
   10.22971600
   .9340920000
   .2862470000
   .006180459080  -.001430676110
   .045783836600  -.010598216100
   .198382224000  -.045922269700
   .485195304000  -.112314849000
   .405812750000  -.093939074400
  -.002014500390  -.077543421800
   .017847551900   .471839591000
  -.002775810140   .633190861000
    6    1
  .433909385
   34.97117600
   7.845092000
   2.303316000
   .7219820000
   .2155270000
   .5900000000E-01
   .012993335800
   .081990156000
   .257157725000
   .379950924000
   .563841786000
  -.078285755800
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.4. NiO                                                           *
********************************************************************************
*           E.3.4.a. NiO (a=4.164 A)                                           *
*             /Ni.ECP.Seijo.14s11p6d.1s1p1d.0e-AIMP-NiO.                       *
*             /Ni.ECP.Seijo.0s.0s.0e-AIMP-NiO.                                 *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-NiO.                                  *
********************************************************************************
/Ni.ECP.Seijo.14s11p6d.1s1p1d.0e-AIMP-NiO.
L. Seijo, unpublished.
From a SCEI calculation in NiO with a=4.164 A
* with orthogonalization functions
* Ni-(NiO)-(A4/A1/6)
  2.000    2
  14   1
   284878.0000
   41997.90000
   9627.670000
   2761.960000
   920.4880000
   341.8050000
   138.0230000
   59.25870000
   20.37120000
   8.594000000
   2.394170000
   .9181690000
   .1301760000
   .4639200000E-01
    -.000042073623
    -.000323440978
    -.001648760100
    -.006476708350
    -.019656270800
    -.042915095600
    -.098430427000
    -.046659242300
     .325721307000
     .482987745000
    -.694473773000
    -.578591938000
    -.006265764390
     .004824870790
  11   1
   1774.180000
   423.4030000
   138.3110000
   53.17030000
   22.38740000
   9.928480000
   4.116250000
   1.710310000
   .6725280000
   .2198820000
   .6667100000E-01
    -.001184395230
    -.009382819170
    -.041779039900
    -.113324542000
    -.172688975000
    -.116918291000
     .415635188000
     .520417638000
     .248385942000
    -.009898753240
    -.000271272253
   6   1
   48.94030000
   13.71690000
   4.639510000
   1.574330000
   .4864090000
   .1316000000
  -.026583707800
  -.143410557000
  -.357769945000
  -.461376392000
  -.327801279000
  -.050569939800
*
* External AIMP: Ni(NiO)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   324151.1700
   45313.57550
   10160.50800
   2919.497590
   933.4769320
   312.2848150
   99.46899700
   40.24493830
   15.86096380
   4.959792000
   1.946400000
   .6242000000

   .107107181000
   .140217676500
   .248521387500
   .423988200500
   .697780245000
   .852866985000
  1.317214315000
  2.160730815000
   .989432965000
  3.351858710000
  2.264383430000
   .445898090500
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  611.279600      75.7268000      9.57900000
   284878.0000
   41997.90000
   9627.670000
   2761.960000
   920.4880000
   341.8050000
   138.0230000
   59.25870000
   20.37120000
   8.594000000
   2.394170000
   .9181690000
   .1301760000
   .4639200000E-01
  -.000320002320   .000110873116  -.000042073623
  -.002460017840   .000852337079  -.000323440978
  -.012540090900   .004344840230  -.001648760100
  -.049260357200   .017067530300  -.006476708350
  -.149501084000   .051798533900  -.019656270800
  -.326402367000   .113090578000  -.042915095600
  -.404749299000   .237428856000  -.098430427000
  -.191864408000   .112549045000  -.046659242300
  -.014209333900  -.550309398000   .325721307000
   .002009315180  -.574638395000   .482987745000
  -.000538529417  -.057703393900  -.694473773000
   .000254760994   .011382431200  -.578591938000
  -.000060904626  -.002703985820  -.006265764390
   .000029018855   .001288879060   .004824870790
   11    2
  65.8504000      6.36260000
   1774.180000
   423.4030000
   138.3110000
   53.17030000
   22.38740000
   9.928480000
   4.116250000
   1.710310000
   .6725280000
   .2198820000
   .6667100000E-01
  -.002951963350  -.001184395230
  -.023385553700  -.009382819170
  -.104129256000  -.041779039900
  -.282447856000  -.113324542000
  -.434921550000  -.172688975000
  -.294461672000  -.116918291000
  -.048612987600   .415635188000
   .000903161806   .520417638000
  -.001238334700   .248385942000
   .000296723818  -.009898753240
  -.000069347869  -.000271272253
    6    1            8
  .791120000
   48.94030000
   13.71690000
   4.639510000
   1.574330000
   .4864090000
   .1316000000
  -.026583707800
  -.143410557000
  -.357769945000
  -.461376392000
  -.327801279000
  -.050569939800
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ni.ECP.Seijo.0s.0s.0e-AIMP-NiO.
L. Seijo, unpublished.
From a SCEI calculation in NiO with a=4.164 A
  2.000    0
    0    0
*
* External AIMP: Ni(NiO)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   324151.1700
   45313.57550
   10160.50800
   2919.497590
   933.4769320
   312.2848150
   99.46899700
   40.24493830
   15.86096380
   4.959792000
   1.946400000
   .6242000000

   .107107181000
   .140217676500
   .248521387500
   .423988200500
   .697780245000
   .852866985000
  1.317214315000
  2.160730815000
   .989432965000
  3.351858710000
  2.264383430000
   .445898090500
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  611.279600      75.7268000      9.57900000
   284878.0000
   41997.90000
   9627.670000
   2761.960000
   920.4880000
   341.8050000
   138.0230000
   59.25870000
   20.37120000
   8.594000000
   2.394170000
   .9181690000
   .1301760000
   .4639200000E-01
  -.000320002320   .000110873116  -.000042073623
  -.002460017840   .000852337079  -.000323440978
  -.012540090900   .004344840230  -.001648760100
  -.049260357200   .017067530300  -.006476708350
  -.149501084000   .051798533900  -.019656270800
  -.326402367000   .113090578000  -.042915095600
  -.404749299000   .237428856000  -.098430427000
  -.191864408000   .112549045000  -.046659242300
  -.014209333900  -.550309398000   .325721307000
   .002009315180  -.574638395000   .482987745000
  -.000538529417  -.057703393900  -.694473773000
   .000254760994   .011382431200  -.578591938000
  -.000060904626  -.002703985820  -.006265764390
   .000029018855   .001288879060   .004824870790
   11    2
  65.8504000      6.36260000
   1774.180000
   423.4030000
   138.3110000
   53.17030000
   22.38740000
   9.928480000
   4.116250000
   1.710310000
   .6725280000
   .2198820000
   .6667100000E-01
  -.002951963350  -.001184395230
  -.023385553700  -.009382819170
  -.104129256000  -.041779039900
  -.282447856000  -.113324542000
  -.434921550000  -.172688975000
  -.294461672000  -.116918291000
  -.048612987600   .415635188000
   .000903161806   .520417638000
  -.001238334700   .248385942000
   .000296723818  -.009898753240
  -.000069347869  -.000271272253
    6    1            8
  .791120000
   48.94030000
   13.71690000
   4.639510000
   1.574330000
   .4864090000
   .1316000000
  -.026583707800
  -.143410557000
  -.357769945000
  -.461376392000
  -.327801279000
  -.050569939800
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Seijo.0s.0s.0e-AIMP-NiO.
L. Seijo, unpublished.
From a SCEI calculation in NiO with a=4.164 A
 -2.000    0
    0    0
*
* External AIMP: O(NiO)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   293071.8300
   38794.01200
   7947.183000
   2001.186000
   560.5143300
   171.0850000
   58.43621900
   20.81063000
   6.321936000
   2.115241600
   .7370000000
   .3063000000

  -.021058004500
  -.028734414900
  -.054978173000
  -.099307414500
  -.183962968000
  -.324207005000
  -.470509308000
  -.460618866000
  -.599855370000
 -1.286411805000
 -1.300709395000
  -.169647281500
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  40.4296000      2.06720000
   2048.047800
   309.0989100
   70.41409800
   19.70116900
   10.22971600
   6.031447000
   .9340920000
   .2862470000
   .006202192820   .001310165320
   .045640204400   .009512376250
   .200063394000   .046548317700
   .473807651000   .112456427000
   .029027548300   .073310690500
   .380695800000   .092728173700
   .024604329400  -.449306627000
  -.005599792230  -.652956840000
    6    1
  .616600000
   34.97117600
   7.845092000
   2.303316000
   .7219820000
   .2155270000
   .5900000000E-01
   .013122417600
   .085478987600
   .247842074000
   .435082565000
   .519625394000
  -.108263213000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.5. LiF                                                           *
********************************************************************************
*           E.3.5.a. LiF (a=4.028 A)                                           *
*             /Li.ECP.Seijo.4s.1s.0e-AIMP-LiF.                                 *
*             /Li.ECP.Seijo.0s.0s.0e-AIMP-LiF.                                 *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-LiF.                                  *
********************************************************************************
/Li.ECP.Seijo.4s.1s.0e-AIMP-LiF.
L.Seijo, unpublished.
From a SCEI calculation in LiF with a=4.028 A
  1.000    0
    4    1
   96.61565000
   14.54249000
   3.183199900
   .8044911100
   .022129957100
   .147756036000
   .473459958000
   .508595312000
*
* External AIMP: Li(LiF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   211074.0000
   20128.40000
   3244.110000
   659.2010000
   158.7720000
   43.99440000
   14.73920000
   5.277110000
   1.902730000

   .012201520500
   .021135386200
   .045178148700
   .089656853000
   .171062570000
   .307181477000
   .484164908000
   .614049760000
   .255369377000
M2
    0
COREREP
   1.0
PROJOP
    0
    4    1
  4.64860000
   96.61565000
   14.54249000
   3.183199900
   .8044911100
   .022129957100
   .147756036000
   .473459958000
   .508595312000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Li.ECP.Seijo.0s.0s.0e-AIMP-LiF.
L.Seijo, unpublished.
From a SCEI calculation in LiF with a=4.028 A
  1.000    0
    0    0
*
* External AIMP: Li(LiF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
    9
   211074.0000
   20128.40000
   3244.110000
   659.2010000
   158.7720000
   43.99440000
   14.73920000
   5.277110000
   1.902730000

   .012201520500
   .021135386200
   .045178148700
   .089656853000
   .171062570000
   .307181477000
   .484164908000
   .614049760000
   .255369377000
M2
    0
COREREP
   1.0
PROJOP
    0
    4    1
  4.64860000
   96.61565000
   14.54249000
   3.183199900
   .8044911100
   .022129957100
   .147756036000
   .473459958000
   .508595312000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Seijo.0s.0s.0e-AIMP-LiF.
L.Seijo, unpublished.
From a SCEI calculation in LiF with a=4.028 A
 -1.000    0
    0    0
*
* External AIMP: F(LiF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   218800.0000
   21530.00000
   3635.000000
   818.7000000
   231.7000000
   71.24000000
   23.10000000
   7.426000000
   2.446000000
   .8442000000
   .2893000000

  -.059403418400
  -.100427999000
  -.205445609000
  -.384381646000
  -.676243182000
 -1.077657820000
  -.952928677000
 -1.351901770000
 -2.994396820000
 -2.102421840000
  -.094791208300
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  51.7818000      2.80800000
   205.9000000
   37.19000000
   9.880000000
   1.713000000
   .6486000000
   .2108000000
   .120783335000  -.027893401400
   .458953566000  -.125687330000
   .521969667000  -.216274463000
   .063863451400   .264335188000
  -.024841931000   .626965261000
   .007063122270   .243184333000
    4    1
  .998600000
   7.968000000
   1.778000000
   .4582000000
   .1109000000
   .159888674000
   .435788678000
   .571566054000
   .078988860000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.6. NaF                                                           *
********************************************************************************
*           E.3.6.a. NaF (a=4.634 A)                                           *
*             /Na.ECP.Seijo.6s3p.1s1p.0e-AIMP-NaF.                             *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-NaF.                                 *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-NaF.                                  *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-co-NaF. (core of Shell Model)         *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-sh-NaF. (shell of Shell Model)        *
********************************************************************************
/Na.ECP.Seijo.6s3p.1s1p.0e-AIMP-NaF.
L.Seijo, unpublished.
From a SCEI calculation in NaF with a=4.634 A
  1.000    1
    6    1
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
    -.015686989300
    -.072233276000
    -.192074951000
    -.123148927000
     .655153432000
     .469874999000
    3    1
   10.47200000
   2.284600000
   .5814000000
   .229793416000
   .579673827000
   .413242495000
*
* External AIMP: Na(NaF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   291000.0000
   36290.00000
   7137.000000
   1752.700000
   521.8000000
   171.0100000
   60.52000000
   19.17200000
   7.841000000
   3.213600000
   1.129500000

   .063014213000
   .090107759600
   .176203154000
   .318188000000
   .538742845000
   .912387504000
  1.026504800000
  1.148873230000
  1.519534040000
  3.199174280000
  1.007270180000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  80.7994608      5.43567033
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
   .061862668400  -.015686989300
   .272921213000  -.072233276000
   .500963387000  -.192074951000
   .299288435000  -.123148927000
   .018429799200   .655153432000
  -.003868252190   .469874999000
    3    1
  2.74355758
   10.47200000
   2.284600000
   .5814000000
   .229793416000
   .579673827000
   .413242495000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.0s.0s.0e-AIMP-NaF.
L.Seijo, unpublished.
From a SCEI calculation in NaF with a=4.634 A
  1.000    0
    0    0
*
* External AIMP: Na(NaF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   291000.0000
   36290.00000
   7137.000000
   1752.700000
   521.8000000
   171.0100000
   60.52000000
   19.17200000
   7.841000000
   3.213600000
   1.129500000

   .063014213000
   .090107759600
   .176203154000
   .318188000000
   .538742845000
   .912387504000
  1.026504800000
  1.148873230000
  1.519534040000
  3.199174280000
  1.007270180000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  80.7994608      5.43567033
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
   .061862668400  -.015686989300
   .272921213000  -.072233276000
   .500963387000  -.192074951000
   .299288435000  -.123148927000
   .018429799200   .655153432000
  -.003868252190   .469874999000
    3    1
  2.74355758
   10.47200000
   2.284600000
   .5814000000
   .229793416000
   .579673827000
   .413242495000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Seijo.0s.0s.0e-AIMP-NaF.
L.Seijo, unpublished.
From a SCEI calculation in NaF with a=4.634 A
 -1.000    0
    0    0
*
* External AIMP: F(NaF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   218800.0000
   21530.00000
   3635.000000
   818.7000000
   231.7000000
   71.24000000
   23.10000000
   7.426000000
   2.446000000
   .8442000000
   .2893000000

  -.059299201600
  -.100358963000
  -.204922312000
  -.384375140000
  -.674328072000
 -1.078198560000
  -.946140000000
 -1.353693570000
 -2.973595500000
 -2.069513780000
  -.155574902000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  51.7412246      2.73671265
   205.9000000
   37.19000000
   9.880000000
   1.713000000
   .6486000000
   .2108000000
   .120785593000  -.027945937400
   .458975780000  -.125759170000
   .521972685000  -.217279291000
   .063839779400   .271557093000
  -.024910185900   .614186596000
   .007106943290   .251405632000
    4    1
  .928361749
   7.968000000
   1.778000000
   .4582000000
   .1109000000
   .159228560000
   .437340850000
   .554788272000
   .108150118000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Seijo.0s.0s.0e-AIMP-co-NaF.
Core of F(-) in a shell-model.
(see below)
 +0.3390000   0
    0    0
PP,f ,0,0;
0;
Spectral Representation Operator
End of Spectral Representation Operator

/F.ECP.Seijo.0s.0s.0e-AIMP-sh-NaF.
L.Seijo, unpublished.  Shell of F(-) in a shell-model.
From a SCEI calculation in NaF with a=4.634 A
 -1.3390000   0
    0    0
*
* External AIMP: F(NaF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   218800.0000
   21530.00000
   3635.000000
   818.7000000
   231.7000000
   71.24000000
   23.10000000
   7.426000000
   2.446000000
   .8442000000
   .2893000000

   -0.044286184914
   -0.074950681852
   -0.153041308439
   -0.287061344287
   -0.503605729649
   -0.805226706497
   -0.706601941748
   -1.010973539955
   -2.220758401792
   -1.545566676624
   -0.116187380134
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  51.7412246      2.73671265
   205.9000000
   37.19000000
   9.880000000
   1.713000000
   .6486000000
   .2108000000
   .120785593000  -.027945937400
   .458975780000  -.125759170000
   .521972685000  -.217279291000
   .063839779400   .271557093000
  -.024910185900   .614186596000
   .007106943290   .251405632000
    4    1
  .928361749
   7.968000000
   1.778000000
   .4582000000
   .1109000000
   .159228560000
   .437340850000
   .554788272000
   .108150118000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.7. KF                                                            *
********************************************************************************
*           E.3.7.a. KF (a=5.348 A)                                            *
*             /K.ECP.Seijo.10s7p.1s1p.0e-AIMP-KF.                              *
*             /K.ECP.Seijo.0s.0s.0e-AIMP-KF.                                   *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-KF.                                   *
********************************************************************************
/K.ECP.Seijo.10s7p.1s1p.0e-AIMP-KF.
L.Seijo, unpublished.
From a SCEI calculation in KF with a=5.348 A
  1.000    1
   10    1
   4966.512400
   749.9544400
   169.9457400
   45.60050400
   68.51191700
   7.150838000
   2.847980000
   4.610091000
   .6902950000
   .2693370000
     .001685725860
     .012790301600
     .049049081500
     .064207494900
     .030763056300
    -.271991881000
    -.222904191000
    -.160682750000
     .772544629000
     .431148794000
    7    1
   180.0180700
   41.67905100
   12.52374500
   4.068336000
   1.552189000
   .5791820000
   .2169950000
    -.009787472750
    -.061599596000
    -.172971345000
    -.145968138000
     .298976087000
     .594712190000
     .278173095000
*
* External AIMP: K(KF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   327671.8300
   45224.01200
   9894.183000
   2672.186000
   849.0143300
   291.4850000
   103.0362190
   39.75063000
   16.92693600
   7.621041600
   1.938900000
   .9096900000
   .4200600000

   .124759365000
   .164577734000
   .301026595000
   .527308563000
   .870209911000
  1.312619420000
  1.240354680000
  1.946790410000
  3.579249540000
  1.531851620000
  2.889819090000
  3.019826740000
   .491606330000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  266.473431      28.6875529      3.21869964
   4966.512400
   749.9544400
   169.9457400
   45.60050400
   68.51191700
   7.150838000
   2.847980000
   4.610091000
   .6902950000
   .2693370000
   .017803392500  -.005125108200   .001685725860
   .126624900000  -.038576700200   .012790301600
   .426646569000  -.146879843000   .049049081500
   .445025057000  -.189925702000   .064207494900
   .083404911300  -.081284457900   .030763056300
   .174909560000   .648809066000  -.271991881000
   .080149541500   .467626768000  -.222904191000
  -.197506412000  -.009709013020  -.160682750000
  -.010016835100   .016756523900   .772544629000
   .003457996660  -.001368972850   .431148794000
    7    2
  22.7468533      1.62830592
   180.0180700
   41.67905100
   12.52374500
   4.068336000
   1.552189000
   .5791820000
   .2169950000
   .031581435700  -.009787472750
   .192027834000  -.061599596000
   .506199842000  -.172971345000
   .436544921000  -.145968138000
   .023232154200   .298976087000
   .016024086900   .594712190000
  -.005320304700   .278173095000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/K.ECP.Seijo.0s.0s.0e-AIMP-KF.
L.Seijo, unpublished.
From a SCEI calculation in KF with a=5.348 A
  1.000    0
    0    0
*
* External AIMP: K(KF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   327671.8300
   45224.01200
   9894.183000
   2672.186000
   849.0143300
   291.4850000
   103.0362190
   39.75063000
   16.92693600
   7.621041600
   1.938900000
   .9096900000
   .4200600000

   .124759365000
   .164577734000
   .301026595000
   .527308563000
   .870209911000
  1.312619420000
  1.240354680000
  1.946790410000
  3.579249540000
  1.531851620000
  2.889819090000
  3.019826740000
   .491606330000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  266.473431      28.6875529      3.21869964
   4966.512400
   749.9544400
   169.9457400
   45.60050400
   68.51191700
   7.150838000
   2.847980000
   4.610091000
   .6902950000
   .2693370000
   .017803392500  -.005125108200   .001685725860
   .126624900000  -.038576700200   .012790301600
   .426646569000  -.146879843000   .049049081500
   .445025057000  -.189925702000   .064207494900
   .083404911300  -.081284457900   .030763056300
   .174909560000   .648809066000  -.271991881000
   .080149541500   .467626768000  -.222904191000
  -.197506412000  -.009709013020  -.160682750000
  -.010016835100   .016756523900   .772544629000
   .003457996660  -.001368972850   .431148794000
    7    2
  22.7468533      1.62830592
   180.0180700
   41.67905100
   12.52374500
   4.068336000
   1.552189000
   .5791820000
   .2169950000
   .031581435700  -.009787472750
   .192027834000  -.061599596000
   .506199842000  -.172971345000
   .436544921000  -.145968138000
   .023232154200   .298976087000
   .016024086900   .594712190000
  -.005320304700   .278173095000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Seijo.0s.0s.0e-AIMP-KF.
L.Seijo, unpublished.
From a SCEI calculation in KF with a=5.348 A
 -1.000    0
    0    0
*
* External AIMP: F(KF)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   274951.1700
   32663.57550
   6177.508000
   1480.976930
   429.5975900
   139.5848150
   49.40493830
   17.07096380
   6.156792000
   2.800997000
   1.343400000
   .4961400000

  -.051396310300
  -.075240901900
  -.153676259000
  -.265283290000
  -.480800527000
  -.772995390000
 -1.033646560000
  -.824399064000
 -1.340745390000
 -1.804304390000
 -2.124216010000
 -1.073295920000
M2
    0
COREREP
   1.0
PROJOP
    1
    7    2
  52.0930188      2.71453296
   1040.662500
   156.6843300
   35.11987900
   9.293251000
   13.98919800
   1.162287000
   .3231770000
   .019039958600  -.004259941420
   .133781108000  -.031921204200
   .447609471000  -.115892460000
   .474704065000  -.137828931000
   .047920909100  -.068966137700
   .040500426600   .595264678000
  -.011507974800   .523369443000
    5    1
  .920137759
   19.10617300
   4.146317000
   1.072087000
   .2398500000
   .7400000000E-01
   .052727701800
   .259540966000
   .512971603000
   .485148885000
  -.056466542500
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.8. NaCl                                                          *
********************************************************************************
*           E.3.8.a. NaCl (a=5.64056 A)                                        *
*             /Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-NaCl.                      *
*             /Na.ECP.Barandiaran.0s.0s.0e-AIMP-NaCl.                          *
*             /Cl.ECP.Barandiaran.0s.0s.0e-AIMP-NaCl.                          *
********************************************************************************
/Na.ECP.Barandiaran.6s3p.1s1p.0e-AIMP-NaCl.
Z.Barandiaran, L.Seijo, J.Chem.Phys., 89,5739(1988)
From a SCEI calculation in NaCl with a=5.64056 A
  1.000    1
    6    1
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
    -.015687934800
    -.072234210300
    -.192101984000
    -.123118173000
     .655202715000
     .469817729000
    3    1
   10.47200000
   2.284600000
   .5814000000
  -.229773907000
  -.579372551000
  -.413619164000
*
* External AIMP: Na(NaCl)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   291100.0000
   36300.00000
   7136.000000
   1752.700000
   521.9000000
   171.0100000
   60.52000000
   19.17200000
   7.842000000
   3.213600000
   1.129500000

   .062997488100
   .090108805300
   .176234386000
   .318073134000
   .538717889000
   .912422792000
  1.026404010000
  1.148628480000
  1.518987710000
  3.198619690000
  1.008805620000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  80.9468000      5.57940000
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
   .061862832100  -.015687934800
   .272921753000  -.072234210300
   .500966383000  -.192101984000
   .299286851000  -.123118173000
   .018426813800   .655202715000
  -.003872783140   .469817729000
    3    1
  2.88980000
   10.47200000
   2.284600000
   .5814000000
  -.229773907000
  -.579372551000
  -.413619164000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Barandiaran.0s.0s.0e-AIMP-NaCl.
Z.Barandiaran, L.Seijo, J.Chem.Phys., 89,5739(1988)
From a SCEI calculation in NaCl with a=5.64056 A
  1.000    0
    0    0
*
* External AIMP: Na(NaCl)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   291100.0000
   36300.00000
   7136.000000
   1752.700000
   521.9000000
   171.0100000
   60.52000000
   19.17200000
   7.842000000
   3.213600000
   1.129500000

   .062997488100
   .090108805300
   .176234386000
   .318073134000
   .538717889000
   .912422792000
  1.026404010000
  1.148628480000
  1.518987710000
  3.198619690000
  1.008805620000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  80.9468000      5.57940000
   553.4000000
   102.1800000
   29.08000000
   10.18100000
   1.890000000
   .5942000000
   .061862832100  -.015687934800
   .272921753000  -.072234210300
   .500966383000  -.192101984000
   .299286851000  -.123118173000
   .018426813800   .655202715000
  -.003872783140   .469817729000
    3    1
  2.88980000
   10.47200000
   2.284600000
   .5814000000
  -.229773907000
  -.579372551000
  -.413619164000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Barandiaran.0s.0s.0e-AIMP-NaCl.
Z.Barandiaran, L.Seijo, J.Chem.Phys., 89,5739(1988)
From a SCEI calculation in NaCl with a=5.64056 A
 -1.000    0
    0    0
*
* External AIMP: Cl(NaCl)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   220800.0000
   22260.00000
   4002.000000
   959.7000000
   282.0000000
   82.92000000
   21.72000000
   7.909000000
   1.705000000
   .6441000000
   .2299000000

  -.141662298000
  -.232659302000
  -.465601654000
  -.839528820000
 -1.342460890000
 -1.611185780000
 -3.390964080000
 -3.254851720000
 -2.016018620000
 -3.942801350000
  -.762265484000
M2
    0
COREREP
   1.0
PROJOP
    1
    9    3
  208.298800      20.8580000      1.95540000
   1364.961500
   206.0373000
   44.78080200
   59.37822900
   5.180495200
   2.022433600
   3.425198000
   .4591995100
   .1496382500
   .064966549500   .019601267000   .005634234980
   .380296908000   .114740606000   .032981313600
   .671048925000   .202464333000   .058196831300
  -.023898297200   .097374370600   .033387677900
   .162440879000  -.661870517000  -.226941848000
   .033393074600  -.414844233000  -.171750324000
  -.139348437000  -.015782827000  -.170441243000
  -.000605300779  -.012050503100   .728737174000
  -.000083280103   .000729547752   .458365990000
    6    2
  15.7566000      .782000000
   63.76258100
   14.19345700
   3.795566700
   1.041159100
   .3525002600
   .9954514000E-01
   .101855563000   .027731962300
   .455650962000   .124058961000
   .579397055000   .162159712000
   .066704182400  -.227374396000
  -.000142879527  -.664364107000
  -.000421895749  -.281088925000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.9. KCl                                                           *
********************************************************************************
*           E.3.9.a. KCl (a=6.2933 A)                                          *
*             /K.ECP.Pascual.10s7p.1s1p.0e-AIMP-KCl.                           *
*             /K.ECP.Pascual.0s.0s.0e-AIMP-KCl.                                *
*             /Cl.ECP.Pascual.0s.0s.0e-AIMP-KCl.                               *
********************************************************************************
/K.ECP.Pascual.10s7p.1s1p.0e-AIMP-KCl.
J.L. Pascual, Z.Barandiaran, L.Seijo, J.Mol.Struct.(Theochem) 537(2001)151
From a SCEI calculation in KCl a=11.892173 b.
*K-KCL-(10/7)                  (A0/7)
  1.000000         1

   10    1
   4966.510000
   749.9540000
   169.9450000
   45.60050000
   68.51190000
   7.150830000
   2.847980000
   4.610090000
   .6902940000
   .2693370000
   .001865441400
   .012982895300
   .046164266800
   .055958091700
   .040162611900
  -.244848637000
  -.181607450000
  -.221137485000
   .763281417000
   .434022565000
    7    1
   180.0180000
   41.67900000
   12.52370000
   4.068330000
   1.552180000
   .5791810000
   .2169940000
  -.010530882000
  -.064452314600
  -.168129262000
  -.149973027000
   .301998424000
   .591714326000
   .280379360000
*
* External AIMP: K(KCl)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   373094.3300
   57611.65200
   13509.86300
   3784.040000
   1195.295330
   409.1448000
   157.1362190
   53.90683000
   20.01524600
   9.040131600
   2.113105000
   .9856680000
   .4565230000

   .113992492000
   .136989783000
   .248657240000
   .427494190000
   .746892375000
  1.130986660000
  1.210314140000
  1.810727040000
  3.548945800000
  2.124143890000
  2.564864640000
  3.257095590000
   .678896161000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  266.502800      28.7300000      3.24200000
   4966.510000
   749.9540000
   169.9450000
   45.60050000
   68.51190000
   7.150830000
   2.847980000
   4.610090000
   .6902940000
   .2693370000
  -.018040274100   .005652763210   .001865441400
  -.125554729000   .039341484000   .012982895300
  -.446444485000   .139889502000   .046164266800
  -.541158415000   .169567290000   .055958091700
   .012731190900   .104397816000   .040162611900
  -.077614840700  -.636454200000  -.244848637000
  -.057567946700  -.472066439000  -.181607450000
   .091530053100   .002569184320  -.221137485000
   .018984566900  -.012602061300   .763281417000
  -.008241842400  -.000461362675   .434022565000
    7    2
  22.7978000      1.65800000
   180.0180000
   41.67900000
   12.52370000
   4.068330000
   1.552180000
   .5791810000
   .2169940000
   .031398272000  -.010530882000
   .192167314000  -.064452314600
   .501284538000  -.168129262000
   .447150951000  -.149973027000
   .012280365100   .301998424000
   .022691792700   .591714326000
  -.007789364400   .280379360000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/K.ECP.Pascual.0s.0s.0e-AIMP-KCl.
J.L. Pascual, Z.Barandiaran, L.Seijo, J.Mol.Struct.(Theochem) 537(2001)151
From a SCEI calculation in KCl a=11.892173 b.
  1.000    0
    0    0
*
* External AIMP: K(KCl)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   373094.3300
   57611.65200
   13509.86300
   3784.040000
   1195.295330
   409.1448000
   157.1362190
   53.90683000
   20.01524600
   9.040131600
   2.113105000
   .9856680000
   .4565230000

   .113992492000
   .136989783000
   .248657240000
   .427494190000
   .746892375000
  1.130986660000
  1.210314140000
  1.810727040000
  3.548945800000
  2.124143890000
  2.564864640000
  3.257095590000
   .678896161000
M2
    0
COREREP
   1.0
PROJOP
    1
   10    3
  266.502800      28.7300000      3.24200000
   4966.510000
   749.9540000
   169.9450000
   45.60050000
   68.51190000
   7.150830000
   2.847980000
   4.610090000
   .6902940000
   .2693370000
  -.018040274100   .005652763210   .001865441400
  -.125554729000   .039341484000   .012982895300
  -.446444485000   .139889502000   .046164266800
  -.541158415000   .169567290000   .055958091700
   .012731190900   .104397816000   .040162611900
  -.077614840700  -.636454200000  -.244848637000
  -.057567946700  -.472066439000  -.181607450000
   .091530053100   .002569184320  -.221137485000
   .018984566900  -.012602061300   .763281417000
  -.008241842400  -.000461362675   .434022565000
    7    2
  22.7978000      1.65800000
   180.0180000
   41.67900000
   12.52370000
   4.068330000
   1.552180000
   .5791810000
   .2169940000
   .031398272000  -.010530882000
   .192167314000  -.064452314600
   .501284538000  -.168129262000
   .447150951000  -.149973027000
   .012280365100   .301998424000
   .022691792700   .591714326000
  -.007789364400   .280379360000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Pascual.0s.0s.0e-AIMP-KCl.
J.L. Pascual, Z.Barandiaran, L.Seijo, J.Mol.Struct.(Theochem) 537(2001)151
From a SCEI calculation in KCl a=11.892173 b.
 -1.000    0
    0    0
*
* External AIMP: Cl(KCl)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   349379.2000
   49517.17000
   10869.77000
   2890.400000
   891.6840000
   313.0033000
   105.0143000
   35.85835000
   16.14095000
   6.676881000
   1.423646000
   .5795259000
   .2092822000

  -.103642794000
  -.133672683000
  -.248137327000
  -.447204836000
  -.724557934000
 -1.157816320000
 -1.383554790000
 -1.483137550000
 -3.166102530000
 -2.608418010000
 -2.425921470000
 -3.514414090000
  -.603419668000
M2
    0
COREREP
   1.0
PROJOP
    1
    9    3
  208.503200      20.9370000      1.97180000
   1364.961500
   206.0373000
   44.78080200
   59.37822900
   5.180495200
   2.022433600
   3.425198000
   .4591995100
   .1496382500
   .065452012500  -.019526779600   .005722512950
   .383138680000  -.114304577000   .033498069400
   .676063342000  -.201694943000   .059108667300
  -.030237652500  -.098264167100   .033076162200
   .205530578000   .667918618000  -.224824422000
   .132327411000   .430028185000  -.144749428000
  -.262276127000  -.001591859980  -.193810946000
  -.031850858300   .005215980080   .720547774000
   .012167660600   .002013242310   .460473312000
    6    2
  15.8280000      .797400000
   63.76258100
   14.19345700
   3.795566700
   1.041159100
   .3525002600
   .9954514000E-01
   .099725537400   .027433180300
   .446122289000   .122722359000
   .596100576000   .163979408000
   .051682610000  -.232378834000
   .008182600620  -.655730539000
  -.003082715930  -.288382278000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.10. MnO                                                          *
********************************************************************************
*           E.3.10.a. MnO (a=4.267 A)                                          *
*             /Mn.ECP.Pascual.0s.0s.0e-AIMP-MnO.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-MnO.                                *
********************************************************************************
/Mn.ECP.Pascual.0s.0s.0e-AIMP-MnO.
J. L. Pascual, unpublished.
From SCEI calc. on MnO (rocksalt structure, a=4.267 A)
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  321773.0000      44387.20000      9803.860000      2633.510000
  816.7940000      277.0200000      88.31300000      34.36530000
  14.28670000      3.807910000      1.505970000     0.4761700000
 0.9186686555E-01 0.1200673276     0.2223290938     0.3979012649
 0.6444380641     0.7831293822      1.125497879      2.076285405
 0.9698217130      2.800341407      1.885862381     0.3824592178
M2
    0
COREREP
   1.000
PROJOP
    2
   14    3    2    2    2
  481.1681494      58.24189072      7.502230431
  243694.0000      35995.00000      8223.560000      2353.120000
  780.9650000      288.5190000      115.7010000      49.11750000
  16.08850000      6.704300000      1.805170000     0.7030110000
 0.1063850000     0.3961600000E-01
  0.000289996230 -0.000098047683  0.000036654887
  0.002249970752 -0.000760714782  0.000284391363
  0.011519850251 -0.003894859682  0.001456083778
  0.045589407374 -0.015413771954  0.005762400993
  0.140388175066 -0.047465221422  0.017744757082
  0.314715908945 -0.106405402706  0.039779399877
  0.409738715618 -0.232094688747  0.094242324946
  0.210789339252 -0.119400691758  0.048482793174
  0.017166567339  0.523405324049 -0.298896015987
 -0.002849330860  0.597361628290 -0.496471971088
  0.000831509498  0.055277070063  0.694518864308
 -0.000402754160 -0.010858690829  0.575170446929
  0.000104978840  0.002572472784  0.001244400097
 -0.000049770548 -0.001228038931 -0.003295564937
   11    2    6    6
  49.69067443      4.823422536
  1500.390000      358.8000000      116.6990000      44.61320000
  18.59850000      8.137780000      3.337340000      1.378950000
 0.5386390000     0.1914750000     0.6042000000E-01
 -0.002581420523 -0.000954477759
 -0.020491276092 -0.007576629654
 -0.092981166370 -0.034379696960
 -0.260907910307 -0.103939366930
 -0.429166194874 -0.170969375940
 -0.326189923302 -0.129946133435
 -0.060745544891  0.351372720579
  0.000212222753  0.559039340473
  0.000101960853  0.268586319826
 -0.000526622104 -0.009618631952
  0.000224685639 -0.002058030215
    6    1    5
 0.8461897484E-01
  37.89770000      10.52010000      3.537640000      1.212170000
 0.3879120000     0.1054000000
  0.022581364800
  0.122543039449
  0.324781705104
  0.440647501509
  0.388297417743
  0.069841532934
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Pascual.0s.0s.0e-AIMP-MnO.
J. L. Pascual, unpublished.
From SCEI calc. on MnO (rocksalt structure, a=4.267 A)
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  255134.8300      27955.01200      4998.213000      1155.126000
  327.0592300      104.2358000      35.89817900      11.55545000
  3.638688000      1.381175600     0.5403286000     0.7154400000E-01
 -.2350167141E-01 -.3697874140E-01 -.7523792537E-01 -.1355153711
 -.2391608090     -.4042421311     -.5063791168     -.4622492847
 -.8630004859     -1.279462611     -.9647828643     -.9488988173E-02
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.46828392      2.093341120
  2048.047800      309.0989100      70.41409800      19.70116900
  6.031447000      10.22971600     0.9340920000     0.2862470000
  0.006202463547 -0.001307175004
  0.045642310225 -0.009474356297
  0.200073427801 -0.046499433926
  0.473839210695 -0.111278576657
  0.380676389375 -0.089341426206
  0.029047743232 -0.075918533280
  0.024431579208  0.442506351526
 -0.005453534381  0.658572373311
    6    1    6
 0.6333361643
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
  0.013115558873
  0.084742749288
  0.249143099781
  0.424087205073
  0.533971867955
 -0.114167400497
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.3.11. CoO                                                          *
********************************************************************************
*           E.3.11.a. CoO (a=4.4.03145 A)                                      *
*             /Co.ECP.deGraaf.0s.0s.0e-AIMP-Co(CoO).                           *
*             /Co.ECP.deGraaf.22s16p.1s1p.0e-AIMP-Co(CoO).                     *
*             /O.ECP.deGraaf.0s.0s.0e-AIMP-O(CoO).                             *
*             /O.ECP.deGraaf.11s6p.1s1p.0e-AIMP-O(CoO).                        *
********************************************************************************
/Co.ECP.deGraaf.0s.0s.0e-AIMP-Co(CoO).
C. Sousa et al. J. Phys.: Condens. Matter 16, S2557 (2004)
From an SCEI calculation with a = 4.031450
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  381808.0000      59383.80000      14190.72000      3995.340000
  1274.777000      447.3500000      152.9247000      56.85120000
  25.85576000      6.513130000      2.688002000     0.9073980000
 0.9160691232E-01 0.1088198316     0.1964197101     0.3461607187
 0.5714010726     0.7609980342     0.9049717695      1.761510334
  1.652610413      2.044074669      3.119803652     0.9416228841
M2
    0
COREREP
   1.000
PROJOP
    2
   22    3    2    2    2
  566.0309182      69.66134459      8.848145242
  66148.99000      9933.077000      2262.816000      637.9154000
  204.4122000      69.82538000      1378.841000      328.2694000
  106.0946000      39.83275000      16.18622000      6.667788000
  54.52355000      18.29783000      7.867348000      3.340534000
  1.393756000     0.5513260000      2.151947000     0.8110630000
 0.1210170000     0.4303700000E-01
  0.001747751232 -0.000536297405  0.000200115256
  0.013389391897 -0.004108534438  0.001533068057
  0.066038536832 -0.020263922731  0.007561327065
  0.229215033094 -0.070334624935  0.026244824865
  0.476013051992 -0.146064588453  0.054502878865
  0.349005697356 -0.107092386099  0.039960701008
  0.000079651479 -0.002473747848  0.001067502695
  0.001061710224 -0.032973692580  0.014229221348
  0.004233124756 -0.131468786168  0.056733059370
 -0.000866326314  0.026905625378 -0.011610652889
 -0.020726690594  0.643711917487 -0.277782639488
 -0.015308336627  0.475433291139 -0.205164936248
 -0.011021062713  0.001992432862  0.004366729532
  0.041542864018 -0.011330303911 -0.080951261147
  0.012257675419  0.018538771115 -0.275435595299
  0.004213143533 -0.083105030447  0.304632825561
 -0.002380825434 -0.078796679829  0.738989008306
 -0.000868745183 -0.010376584138  0.210410305041
 -0.000121037657  0.136004048233  0.046793473750
  0.002062529211  0.033811020904  0.036447485356
  0.000051545557  0.000258772574 -0.011941229034
 -0.000016389172 -0.000092112859  0.001097899345
   16    2    6    6
  60.17606768      5.818731030
  1378.841000      328.2694000      106.0946000      39.83275000
  16.18622000      6.667788000      54.52355000      18.29783000
  7.867348000      3.340534000      1.393756000     0.5513260000
  2.151947000     0.8110630000     0.1210170000     0.4303700000E-01
  0.003957959020 -0.001493846265
  0.030975843622 -0.011691164074
  0.135281416645 -0.051059052900
  0.346498135083 -0.130778247654
  0.461057792711 -0.174016319550
  0.204464203101 -0.077170603481
  0.000364249900 -0.007780668293
 -0.001292187281 -0.031733943939
  0.005637110865  0.072055233176
 -0.019927346581  0.424917600641
 -0.020751466482  0.511223085748
 -0.002657772507  0.176554664023
  0.038918539644  0.015444334688
  0.009010876695  0.012489484066
  0.000076689644 -0.009354983591
 -0.000033830366  0.000879609801
    4    1    7
 0.4894570698
  25.59306000      6.800990000      2.051647000     0.5556710000
 -0.065630239512
 -0.286354016627
 -0.508462065727
 -0.457209506273
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Co.ECP.deGraaf.22s16p.1s1p.0e-AIMP-Co(CoO).
C. Sousa et al. J. Phys.: Condens. Matter 16, S2557 (2004)
From an SCEI calculation with a = 4.031450
   2.000    1
   22    1
      66148.99000
      9933.077000
      2262.816000
      637.9154000
      204.4122000
      69.82538000
      1378.841000
      328.2694000
      106.0946000
      39.83275000
      16.18622000
      6.667788000
      54.52355000
      18.29783000
      7.867348000
      3.340534000
      1.393756000
      0.551326000
      2.151947000
      0.811063000
      0.121017000
      0.430370000E-01
  0.000200115256
  0.001533068057
  0.007561327065
  0.026244824865
  0.054502878865
  0.039960701008
  0.001067502695
  0.014229221348
  0.056733059370
 -0.011610652889
 -0.277782639488
 -0.205164936248
  0.004366729532
 -0.080951261147
 -0.275435595299
  0.304632825561
  0.738989008306
  0.210410305041
  0.046793473750
  0.036447485356
 -0.011941229034
  0.001097899345
   16    1
      1378.841000
      328.2694000
      106.0946000
      39.83275000
      16.18622000
      6.667788000
      54.52355000
      18.29783000
      7.867348000
      3.340534000
      1.393756000
      0.551326000
      2.151947000
      0.811063000
      0.121017000
      0.430370000E-01
 -0.001493846265
 -0.011691164074
 -0.051059052900
 -0.130778247654
 -0.174016319550
 -0.077170603481
 -0.007780668293
 -0.031733943939
  0.072055233176
  0.424917600641
  0.511223085748
  0.176554664023
  0.015444334688
  0.012489484066
 -0.009354983591
  0.000879609801
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  381808.0000      59383.80000      14190.72000      3995.340000
  1274.777000      447.3500000      152.9247000      56.85120000
  25.85576000      6.513130000      2.688002000     0.9073980000
 0.9160691232E-01 0.1088198316     0.1964197101     0.3461607187
 0.5714010726     0.7609980342     0.9049717695      1.761510334
  1.652610413      2.044074669      3.119803652     0.9416228841
M2
    0
COREREP
   1.000
PROJOP
    2
   22    3    2    2    2
  566.0309182      69.66134459      8.848145242
  66148.99000      9933.077000      2262.816000      637.9154000
  204.4122000      69.82538000      1378.841000      328.2694000
  106.0946000      39.83275000      16.18622000      6.667788000
  54.52355000      18.29783000      7.867348000      3.340534000
  1.393756000     0.5513260000      2.151947000     0.8110630000
 0.1210170000     0.4303700000E-01
  0.001747751232 -0.000536297405  0.000200115256
  0.013389391897 -0.004108534438  0.001533068057
  0.066038536832 -0.020263922731  0.007561327065
  0.229215033094 -0.070334624935  0.026244824865
  0.476013051992 -0.146064588453  0.054502878865
  0.349005697356 -0.107092386099  0.039960701008
  0.000079651479 -0.002473747848  0.001067502695
  0.001061710224 -0.032973692580  0.014229221348
  0.004233124756 -0.131468786168  0.056733059370
 -0.000866326314  0.026905625378 -0.011610652889
 -0.020726690594  0.643711917487 -0.277782639488
 -0.015308336627  0.475433291139 -0.205164936248
 -0.011021062713  0.001992432862  0.004366729532
  0.041542864018 -0.011330303911 -0.080951261147
  0.012257675419  0.018538771115 -0.275435595299
  0.004213143533 -0.083105030447  0.304632825561
 -0.002380825434 -0.078796679829  0.738989008306
 -0.000868745183 -0.010376584138  0.210410305041
 -0.000121037657  0.136004048233  0.046793473750
  0.002062529211  0.033811020904  0.036447485356
  0.000051545557  0.000258772574 -0.011941229034
 -0.000016389172 -0.000092112859  0.001097899345
   16    2    6    6
  60.17606768      5.818731030
  1378.841000      328.2694000      106.0946000      39.83275000
  16.18622000      6.667788000      54.52355000      18.29783000
  7.867348000      3.340534000      1.393756000     0.5513260000
  2.151947000     0.8110630000     0.1210170000     0.4303700000E-01
  0.003957959020 -0.001493846265
  0.030975843622 -0.011691164074
  0.135281416645 -0.051059052900
  0.346498135083 -0.130778247654
  0.461057792711 -0.174016319550
  0.204464203101 -0.077170603481
  0.000364249900 -0.007780668293
 -0.001292187281 -0.031733943939
  0.005637110865  0.072055233176
 -0.019927346581  0.424917600641
 -0.020751466482  0.511223085748
 -0.002657772507  0.176554664023
  0.038918539644  0.015444334688
  0.009010876695  0.012489484066
  0.000076689644 -0.009354983591
 -0.000033830366  0.000879609801
    4    1    7
 0.4894570698
  25.59306000      6.800990000      2.051647000     0.5556710000
 -0.065630239512
 -0.286354016627
 -0.508462065727
 -0.457209506273
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.deGraaf.0s.0s.0e-AIMP-O(CoO).
C. Sousa et al. J. Phys.: Condens. Matter 16, S2557 (2004)
From an SCEI calculation with a = 4.031450
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  251533.0000      27154.10000      4806.400000      1103.970000
  309.0690000      98.75900000      34.78770000      11.36540000
  3.557530000      1.340210000     0.5286700000     0.7016000000E-01
 -.2376377010E-01 -.3780310815E-01 -.7709778629E-01 -.1397770171
 -.2487989782     -.4085161344     -.4942087919     -.4589508304
 -.9004342072     -1.260843561     -.9423457321     -.7460083020E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.48458813      2.079526814
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507946557  0.000106326524
  0.003928067255  0.000822498997
  0.020235978323  0.004284687927
  0.079163000278  0.017164843383
  0.230618724028  0.054117461719
  0.432836099338  0.123838653290
  0.349969578704  0.163024846002
  0.043935318435 -0.153040541875
 -0.008939315361 -0.435649821885
  0.003840258227 -0.589267602390
 -0.000715744612  0.054553393715
    6    1    6
 0.6256222955
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
  0.013423835994
  0.085677998750
  0.251835170397
  0.421912836195
  0.531065824512
 -0.106588371961
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.deGraaf.11s6p.1s1p.0e-AIMP-O(CoO).
C. Sousa et al. J. Phys.: Condens. Matter 16, S2557 (2004)
From an SCEI calculation with a = 4.031450
  -2.000    1
   11    1
      15330.00000
      2299.000000
      522.4000000
      147.3000000
      47.55000000
      16.76000000
      6.207000000
      1.752000000
      0.688200000
      0.238400000
      0.737600000E-01
  0.000106326524
  0.000822498997
  0.004284687927
  0.017164843383
  0.054117461719
  0.123838653290
  0.163024846002
 -0.153040541875
 -0.435649821885
 -0.589267602390
  0.054553393715
    6    1
      34.46000000
      7.749000000
      2.280000000
      0.715600000
      0.214000000
      0.597400000E-01
  0.013423835994
  0.085677998750
  0.251835170397
  0.421912836195
  0.531065824512
 -0.106588371961
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  251533.0000      27154.10000      4806.400000      1103.970000
  309.0690000      98.75900000      34.78770000      11.36540000
  3.557530000      1.340210000     0.5286700000     0.7016000000E-01
 -.2376377010E-01 -.3780310815E-01 -.7709778629E-01 -.1397770171
 -.2487989782     -.4085161344     -.4942087919     -.4589508304
 -.9004342072     -1.260843561     -.9423457321     -.7460083020E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  40.48458813      2.079526814
  15330.00000      2299.000000      522.4000000      147.3000000
  47.55000000      16.76000000      6.207000000      1.752000000
 0.6882000000     0.2384000000     0.7376000000E-01
  0.000507946557  0.000106326524
  0.003928067255  0.000822498997
  0.020235978323  0.004284687927
  0.079163000278  0.017164843383
  0.230618724028  0.054117461719
  0.432836099338  0.123838653290
  0.349969578704  0.163024846002
  0.043935318435 -0.153040541875
 -0.008939315361 -0.435649821885
  0.003840258227 -0.589267602390
 -0.000715744612  0.054553393715
    6    1    6
 0.6256222955
  34.46000000      7.749000000      2.280000000     0.7156000000
 0.2140000000     0.5974000000E-01
  0.013423835994
  0.085677998750
  0.251835170397
  0.421912836195
  0.531065824512
 -0.106588371961
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
*    E.4. Fluorites                                                            *
********************************************************************************
********************************************************************************
*                                                                              *
********************************************************************************
*         E.4.1. CaF2                                                          *
********************************************************************************
*           E.4.1.a. CaF2 (a=5.46294 A)                                        *
*             /Ca.ECP.Pascual.0s.0s.0e-AIMP-CaF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-CaF2.                               *
********************************************************************************
*         E.4.2. SrF2                                                          *
********************************************************************************
*           E.4.2.a. SrF2 (a=5.796 A)                                          *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2.                               *
*           E.4.2.b. SrF2 (a=5.7647 A; Da/a=-.0054; P=0.4 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00054a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00054a.                        *
*           E.4.2.c. SrF2 (a=5.7334 A; Da/a=-.0108; P=0.8 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00108a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00108a.                        *
*           E.4.2.d. SrF2 (a=5.7021 A; Da/a=-.0162; P=1.2 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00162a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00162a.                        *
*           E.4.2.e. SrF2 (a=5.6708 A; Da/a=-.0216; P=1.6 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00216a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00216a.                        *
*           E.4.2.f. SrF2 (a=5.4825 A; Da/a=-.0541; P=4.0 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00541a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00541a.                        *
*           E.4.2.g. SrF2 (a=5.1690 A; Da/a=-.1082; P=8.0 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01082a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01082a.                        *
*           E.4.2.h. SrF2 (a=4.8555 A; Da/a=-.1623; P=12.0 GPa; K=24.65 GPa)   *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01623a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01623a.                        *
********************************************************************************
*         E.4.3. BaF2                                                          *
********************************************************************************
*           E.4.3.a. BaF2 (a=6.2001 A)                                         *
*             /Ba.ECP.Pascual.0s.0s.0e-AIMP-BaF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-BaF2.                               *
********************************************************************************
*         E.4.4. CdF2                                                          *
********************************************************************************
*           E.4.4.a. CdF2                                                      *
*             /Cd.ECP.Pascual.0s.0s.0e-AIMP-CdF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-CdF2.                               *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*    E.4. Fluorites                                                            *
********************************************************************************
*
********************************************************************************
*         E.4.1. CaF2                                                          *
********************************************************************************
*           E.4.1.a. CaF2 (a=5.46294 A)                                        *
*             /Ca.ECP.Pascual.0s.0s.0e-AIMP-CaF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-CaF2.                               *
********************************************************************************
/Ca.ECP.Pascual.0s.0s.0e-AIMP-CaF2.
J.L.Pascual, L.Seijo, J. Chem. Phys. 102(1995)5368.
From a SCEI calculation on CaF2.
  2.000    0
    0    0
*
* External AIMP: CA(CAF2)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   398851.1700
   68253.57550
   17273.50800
   5115.097590
   1674.246930
   611.0248150
   246.4489970
   90.60093830
   39.42196380
   19.03379200
   9.119400000
   2.321600000
   1.141930000
   .5421900000

   .057441635500
   .063255265000
   .111552469500
   .187768986500
   .321025658500
   .466950633000
   .606586020000
   .653011295000
   .909311825000
  1.669469775000
   .753139645000
  1.474926360000
  1.567847730000
   .157712698500
M2
    0
COREREP
   1.0
PROJOP
    1
   13    3
  297.215843      32.5444469      3.41317726
   5603.506700
   844.7099200
   190.9831300
   51.12694200
   76.45090400
   8.052193000
   3.248802000
   5.303832000
   .8302780000
   .3424940000
   .4131540000
   .6262600000E-01
   .2511200000E-01
   .017671836800  -.005600248710   .001935723340
   .123554514000  -.039154730700   .013533814300
   .443489121000  -.140542797000   .048578552000
   .545348616000  -.172822323000   .059735954900
  -.013106210300  -.105420944000   .042541228500
   .079127918700   .636472305000  -.256839985000
   .058388270000   .469651135000  -.189521507000
  -.088106010700  -.000622517342  -.234015273000
  -.055292858300   .007334664630   .749271704000
  -.114185338000  -.028250157200   .412710216000
   .150358614000   .034057801600   .061357866000
   .005055247190   .001272159590  -.046142835000
  -.002004524870  -.000475125058   .019509449500
    7    2
  26.1720480      1.60218185
   207.6378600
   48.08815400
   14.48652000
   4.735303000
   1.842931000
   .6991150000
   .2641500000
   .030349719900  -.010913084600
   .188486814000  -.067775668200
   .501195168000  -.180218641000
   .443740049000  -.164361157000
   .022184419100   .313752913000
   .018282310500   .652022882000
  -.006102217190   .198183019000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-CaF2.
J.L.Pascual, L.Seijo, J. Chem. Phys. 102(1995)5368.
From a SCEI calculation on CaF2.
 -1.000    0
    0    0
*
* External AIMP: F(CAF2)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   278551.1700
   33473.57550
   6393.508000
   1548.976930
   453.3975900
   147.7848150
   52.48493830
   18.57096380
   6.742792000
   2.976997000
   1.296400000
   .5554400000

  -.050894654400
  -.074862536700
  -.148378676000
  -.262110990000
  -.456111427000
  -.769374043000
  -.995770344000
  -.860572377000
 -1.167494500000
 -2.084572250000
 -2.090388130000
 -1.039470070000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  52.7356436      3.34418915
   2604.457100
   392.6462400
   89.58306800
   25.10559100
   7.702358000
   13.37959100
   1.221167000
   .3709440000
   .006176080140  -.001513300710
   .045761039300  -.011212648100
   .198451811000  -.048625869400
   .485898218000  -.119057736000
   .404469251000  -.099105515000
  -.001907343100  -.081621949300
   .017685419200   .530800506000
  -.002566484450   .581501914000
    6    1
  1.55992750
   44.32937800
   10.00597400
   2.948091000
   .9179410000
   .2683340000
   .7400000000E-01
   .015131824800
   .095454874100
   .291390473000
   .438987410000
   .442398007000
  -.034133863600
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator
*
********************************************************************************
*         E.4.2. SrF2                                                          *
********************************************************************************
*                                                                              *
********************************************************************************
*           E.4.2.a. SrF2 (a=5.796 A)                                          *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2.                               *
********************************************************************************
*     SrF2  at P=0, a=5.796A (Wyckoff)
*                            [cita de Kudrnowsky et al. PRB 43(1991)12597]
*     Delta.a/a = 0,      P = 1 bar,    K = 24.65 Gpa
*     Oh5-Fm3m
*
/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.796A
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  324151.1700      45313.57550      10160.50800      2919.497590
  996.4769320      324.8848150      107.5689970      42.76723830
  14.90426380      7.968302000      2.861590000      1.181850000
 0.6999500000
 0.1645714287     0.2155897143     0.3914654173     0.6352647461
 0.8786575038      1.202462958      2.547698869      1.579373807
  2.558681121      3.896761721     0.9797010195      1.749367985
  1.200403708
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1164.972672      159.5410504      25.79680046      2.690403194
  21292.43700      3209.024500      727.7900000      196.0946600
  293.3112600      33.28018200      14.11378100      25.92426000
  4.449256000      1.974252000      3.133996000     0.6033740000
 0.2618210000     0.3292630000     0.5169900000E-01 0.2142700000E-01
 -0.016540070992  0.005250978869  0.002142860983 -0.000763064708
 -0.119220440764  0.039946391571  0.016450218640 -0.005872250664
 -0.410933657867  0.157601878617  0.065769033416 -0.023471445957
 -0.442295591515  0.219110752175  0.094357748493 -0.033494715208
 -0.096697882686  0.087554548877  0.041692521608 -0.015533039435
 -0.361143223419 -0.724568939842 -0.416124615686  0.148709330646
 -0.121510119297 -0.468221715705 -0.300204329753  0.103322518043
  0.393641219753  0.069197364797 -0.137344500217  0.081090774473
  0.117812832429  0.032576318626  1.007264263760 -0.426516820575
  0.057034630953  0.034751277416  0.514085081263 -0.198247179075
 -0.140011248969 -0.071778824298 -0.218475158936 -0.254546414724
 -0.019741628451 -0.013779562908 -0.050900968393  0.749446237848
 -0.020139236288 -0.014457100861 -0.075465541291  0.304943558529
  0.031615692818  0.022607963215  0.113791619999  0.242601405149
  0.000865339704  0.000702134845  0.001745037235 -0.082006959391
 -0.000327693742 -0.000276403868 -0.000440837930  0.033319280315
   10    3    6    6    6
  144.7903932      20.25923972      1.100631266
  931.8063900      218.8950400      68.13056800      23.38244400
  10.69231200      4.349435000      1.837716000     0.9471840000
 0.3932880000     0.1584010000
  0.026012874556 -0.010948541958 -0.003589577275
  0.171124831395 -0.075789149911 -0.024966363288
  0.494612703512 -0.235835657931 -0.078956159105
  0.452456388539 -0.206668717780 -0.066713171616
  0.014104686573  0.359482955096  0.146893716460
  0.042118532817  0.612241044398  0.298709827337
 -0.029902901362  0.219110731243  0.036440428703
  0.019371806379 -0.005294594191 -0.380903835677
 -0.007315739466  0.007133304575 -0.723730021213
  0.002079305601 -0.002268962193 -0.014717655000
    4    1   10
  10.21312785
  81.91937400      23.07403500      7.649958000      2.494336000
  0.054204437164
  0.270490258972
  0.535479963393
  0.393668701725
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-SrF2.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.796A
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  218800.0000      21530.00000      3635.000000      818.7000000
  231.7000000      71.24000000      23.10000000      7.426000000
  2.449400000     0.8480690000     0.2946300000
 -.5931344851E-01 -.1003772916     -.2049801848     -.3844262033
 -.6745251989     -1.078262883     -.9470544061     -1.353051619
 -2.968972966     -2.075454809     -.1535809894
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  52.24577778      3.246108881
  205.9000000      37.19000000      9.880000000      1.713000000
 0.6486000000     0.2108000000
  0.120785128188 -0.027939732692
  0.458971539400 -0.125736568860
  0.521971834396 -0.217192664647
  0.063844205200  0.270975196475
 -0.024896508931  0.614989042158
  0.007099680953  0.251005940009
    4    1    6
  1.436874729
  7.968000000      1.778000000     0.4582000000     0.1109000000
 -0.159340475584
 -0.437198087871
 -0.557064339401
 -0.104121209344
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.4.2.b. SrF2 (a=5.7647 A; Da/a=-.0054; P=0.4 GPa; K=24.65 GPa)    *
********************************************************************************
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00054a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00054a.                        *
********************************************************************************
/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00054a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.7647A
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  324151.1700      45313.57550      10160.50800      2919.497590
  996.4769320      324.8848150      107.5689970      42.76853830
  14.90906380      7.972672000      2.870380000      1.190110000
 0.7067800000
 0.1645734462     0.2155923799     0.3914699355     0.6352721928
 0.8786683481      1.202486993      2.547735215      1.579258728
  2.555956669      3.897776929     0.9763755740      1.719003061
  1.235830528
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1164.957337      159.5260013      25.78214178      2.676663438
  21292.43700      3209.024500      727.7900000      196.0946600
  293.3112600      33.28018200      14.11378100      25.92426000
  4.449256000      1.974252000      3.133996000     0.6033740000
 0.2618210000     0.3292630000     0.5169900000E-01 0.2142700000E-01
 -0.016540070345  0.005250976738  0.002142853357  0.000763222116
 -0.119220434797  0.039946373998  0.016450145681  0.005873603205
 -0.410933639643  0.157601809022  0.065768879360  0.023475381185
 -0.442295654374  0.219110749428  0.094358467764  0.033490848150
 -0.096697813034  0.087554424721  0.041691545827  0.015544342055
 -0.361143494223 -0.724566113391 -0.416140699113 -0.148519887791
 -0.121510182928 -0.468219642588 -0.300233171727 -0.102981393618
  0.393641498503  0.069193956052 -0.137310504707 -0.081508749916
  0.117812818710  0.032565652014  1.007421147430  0.424342356446
  0.057034500514  0.034739056334  0.514328357924  0.194494557220
 -0.140011137511 -0.071760866997 -0.218796927005  0.259208626904
 -0.019741363425 -0.013763011754 -0.051263962885 -0.741862127160
 -0.020138583990 -0.014420615075 -0.076335417256 -0.286347786471
  0.031614848475  0.022560068192  0.114922523024 -0.267362516607
  0.000865310954  0.000700143324  0.001786037070  0.082581638816
 -0.000327681136 -0.000275587670 -0.000457559063 -0.033544688570
   10    3    6    6    6
  144.7753044      20.24455853      1.086845838
  931.8063900      218.8950400      68.13056800      23.38244400
  10.69231200      4.349435000      1.837716000     0.9471840000
 0.3932880000     0.1584010000
 -0.026012860673 -0.010948482134 -0.003591219426
 -0.171124698020 -0.075788731244 -0.024976332448
 -0.494612476458 -0.235834286930 -0.078994956608
 -0.452456543944 -0.206668512751 -0.066716584168
 -0.014104888618  0.359481469675  0.146878389431
 -0.042118697263  0.612233135990  0.299064776006
  0.029903000234  0.219120629584  0.035702678806
 -0.019371779897 -0.005299683375 -0.379489198970
  0.007315533631  0.007155691933 -0.726897260152
 -0.002079032482 -0.002292589315 -0.011544324548
    4    1   10
  10.19838924
  81.91937400      23.07403500      7.649958000      2.494336000
 -0.054203445655
 -0.270486738343
 -0.535470191698
 -0.393684380143
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00054a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.7647A
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  218800.0000      21530.00000      3635.000000      818.7000000
  231.7000000      71.24000000      23.10000000      7.426000000
  2.449800000     0.8493800000     0.2969720000
 -.5932072315E-01 -.1003876772     -.2050080704     -.3844588238
 -.6746127279     -1.078343588     -.9473738325     -1.353359296
 -2.968216465     -2.077606965     -.1513118312
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  52.24652782      3.249273811
  205.9000000      37.19000000      9.880000000      1.713000000
 0.6486000000     0.2108000000
  0.120784926769 -0.027935168328
  0.458969765687 -0.125724880280
  0.521971138288 -0.217121116083
  0.063848294845  0.270511245473
 -0.024894488282  0.615694289227
  0.007098515995  0.250611084924
    4    1    6
  1.440002984
  7.968000000      1.778000000     0.4582000000     0.1109000000
  0.159395643811
  0.437084159331
  0.558393165747
  0.101822860627
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
* 4.2.3  SrF2 [a = 5.7334 A; Delta.a/a = -.0108; P = 0.8 GPa; K = 24.65 GPa] ***
********************************************************************************
*           E.4.2.c. SrF2 (a=5.7334 A; Da/a=-.0108; P=0.8 GPa; K=24.65 GPa)    *
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00108a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00108a.                        *
********************************************************************************
/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00108a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.7334A
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  324151.1700      45313.57550      10160.50800      2919.497590
  996.4769320      324.8848150      107.5689970      42.76933830
  14.91296380      7.976402000      2.878470000      1.198600000
 0.7136100000
 0.1645755242     0.2155949853     0.3914747948     0.6352791423
 0.8786805345      1.202509078      2.547780591      1.579171522
  2.553704956      3.898535858     0.9730195284      1.687628947
  1.272044539
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1164.941958      159.5109152      25.76745471      2.662889207
  21292.43700      3209.024500      727.7900000      196.0946600
  293.3112600      33.28018200      14.11378100      25.92426000
  4.449256000      1.974252000      3.133996000     0.6033740000
 0.2618210000     0.3292630000     0.5169900000E-01 0.2142700000E-01
 -0.016540069686  0.005250974573  0.002142845576 -0.000763385805
 -0.119220428711  0.039946356074  0.016450071735 -0.005875005472
 -0.410933621020  0.157601738704  0.065768718960 -0.023479500739
 -0.442295718145  0.219110751584  0.094359163673 -0.033487151128
 -0.096697742286  0.087554294786  0.041690578975 -0.015555852338
 -0.361143773038 -0.724563316103 -0.416156369999  0.148329485680
 -0.121510251007 -0.468217640457 -0.300261431745  0.102637485831
  0.393641787175  0.069190624057 -0.137277161240  0.081931408285
  0.117812816627  0.032555262998  1.007575000950 -0.422147544706
  0.057034381150  0.034727186529  0.514567696143 -0.190699293384
 -0.140011044551 -0.071743427475 -0.219113273137 -0.263923791601
 -0.019741107023 -0.013746762580 -0.051623311829  0.734155834938
 -0.020137941116 -0.014384432594 -0.077204775317  0.267280095351
  0.031614019406  0.022512691143  0.116050217495  0.292682414834
  0.000865282569  0.000698150060  0.001827308001 -0.083137735412
 -0.000327668561 -0.000274760253 -0.000474600937  0.033766603258
   10    3    6    6    6
  144.7601776      20.22984789      1.073030515
  931.8063900      218.8950400      68.13056800      23.38244400
  10.69231200      4.349435000      1.837716000     0.9471840000
 0.3932880000     0.1584010000
  0.026012846463 -0.010948421069  0.003592888625
  0.171124561661 -0.075788303315  0.024986503040
  0.494612244267 -0.235832888504  0.079034323927
  0.452456703111 -0.206668295607  0.066720757706
  0.014105094190  0.359479927004 -0.146864912419
  0.042118868262  0.612225126953 -0.299420146194
 -0.029903108151  0.219130555561 -0.034970738033
  0.019371762266 -0.005304581000  0.378083892660
 -0.007315332769  0.007178302735  0.730081579453
  0.002078759280 -0.002316725813  0.008336300917
    4    1   10
  10.18362012
  81.91937400      23.07403500      7.649958000      2.494336000
 -0.054202433063
 -0.270483142267
 -0.535460213723
 -0.393700390332
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00108a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.7334A
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  218800.0000      21530.00000      3635.000000      818.7000000
  231.7000000      71.24000000      23.10000000      7.426000000
  2.450230000     0.8507070000     0.2993950000
 -.5932790435E-01 -.1003978398     -.2050357377     -.3844905112
 -.6746999295     -1.078421219     -.9476919000     -1.353648220
 -2.967410297     -2.079718505     -.1491579369
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  52.24735546      3.252484468
  205.9000000      37.19000000      9.880000000      1.713000000
 0.6486000000     0.2108000000
  0.120784727173 -0.027930763663
  0.458968017266 -0.125713964873
  0.521970448336 -0.217050853527
  0.063852338338  0.270049613249
 -0.024892512037  0.616408743769
  0.007097386200  0.250203564396
    4    1    6
  1.443169573
  7.968000000      1.778000000     0.4582000000     0.1109000000
  0.159449802751
  0.436972296933
  0.559701363929
  0.099552597817
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.4.2.d. SrF2 (a=5.7021 A; Da/a=-.0162; P=1.2 GPa; K=24.65 GPa)    *
********************************************************************************
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00162a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00162a.                        *
********************************************************************************
/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00162a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.7021A
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  324151.1700      45313.57550      10160.50800      2919.497590
  996.4769320      324.8848150      107.5689970      42.77193830
  14.91976380      7.982052000      2.889210000      1.208450000
 0.7208100000
 0.1645776154     0.2155980086     0.3914790965     0.6352882129
 0.8786898238      1.202539155      2.547801173      1.578980678
  2.550038419      3.900090456     0.9691918830      1.653806356
  1.311919123
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1164.926097      159.4953622      25.75232095      2.648686746
  21292.43700      3209.024500      727.7900000      196.0946600
  293.3112600      33.28018200      14.11378100      25.92426000
  4.449256000      1.974252000      3.133996000     0.6033740000
 0.2618210000     0.3292630000     0.5169900000E-01 0.2142700000E-01
 -0.016540068994  0.005250972312  0.002142837414 -0.000763560783
 -0.119220422326  0.039946337275  0.016449994696 -0.005876500109
 -0.410933601450  0.157601665646  0.065768547476 -0.023483932451
 -0.442295784683  0.219110758996  0.094359854798 -0.033483531778
 -0.096697668380  0.087554155080  0.041689594322 -0.015567906989
 -0.361144068171 -0.724560470742 -0.416172049079  0.148132719816
 -0.121510325682 -0.468215656819 -0.300289875981  0.102280962778
  0.393642094449  0.069187279100 -0.137243564805  0.082370917827
  0.117812826687  0.032544874703  1.007729997790 -0.419869472927
  0.057034270044  0.034715355073  0.514809609361 -0.186752112776
 -0.140010968362 -0.071726044599 -0.219432809768 -0.268827695248
 -0.019740852565 -0.013730382749 -0.051988817993  0.726102990858
 -0.020137290470 -0.014347579772 -0.078097645711  0.247172381471
  0.031613183536  0.022464560115  0.117205789297  0.319310242428
  0.000865253863  0.000696104506  0.001869917415 -0.083689393132
 -0.000327655711 -0.000273900505 -0.000492403886  0.033991022906
   10    3    6    6    6
  144.7445815      20.21468886      1.058791240
  931.8063900      218.8950400      68.13056800      23.38244400
  10.69231200      4.349435000      1.837716000     0.9471840000
 0.3932880000     0.1584010000
  0.026012831507  0.010948356958  0.003594633437
  0.171124418296  0.075787853426  0.024997174078
  0.494612000094  0.235831421366  0.079075400615
  0.452456870748  0.206668059235  0.066725872575
  0.014105309303 -0.359478279583 -0.146853068958
  0.042119050969 -0.612216784428 -0.299785822421
 -0.029903228533 -0.219140791402 -0.034224811590
  0.019371753271  0.005309411988  0.376649727100
 -0.007315131277 -0.007201792099  0.733372785066
  0.002078478114  0.002342095496  0.005001627019
    4    1   10
  10.16839985
  81.91937400      23.07403500      7.649958000      2.494336000
 -0.054201369427
 -0.270479364371
 -0.535449733741
 -0.393717206562
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00162a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.7021A
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  218800.0000      21530.00000      3635.000000      818.7000000
  231.7000000      71.24000000      23.10000000      7.426000000
  2.450640000     0.8520430000     0.3019250000
 -.5933515667E-01 -.1004082134     -.2050635083     -.3845231619
 -.6747870973     -1.078502083     -.9480087779     -1.353953550
 -2.966623887     -2.081796594     -.1469979712
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  52.24828897      3.255834695
  205.9000000      37.19000000      9.880000000      1.713000000
 0.6486000000     0.2108000000
  0.120784523902 -0.027926398046
  0.458966246251 -0.125703531187
  0.521969745270 -0.216979930446
  0.063856447726  0.269577431973
 -0.024890527663  0.617152527021
  0.007096261890  0.249771776796
    4    1    6
  1.446467301
  7.968000000      1.778000000     0.4582000000     0.1109000000
  0.159504449078
  0.436859301756
  0.561025295512
  0.097247453035
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.4.2.e. SrF2 (a=5.6708 A; Da/a=-.0216; P=1.6 GPa; K=24.65 GPa)    *
********************************************************************************
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00216a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00216a.                        *
********************************************************************************
/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00216a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.6708A
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  324151.1700      45313.57550      10160.50800      2919.497590
  996.4769320      324.8848150      107.5689970      42.77313830
  14.92406380      7.986032000      2.898040000      1.218470000
 0.7280500000
 0.1645798299     0.2156009043     0.3914841015     0.6352962354
 0.8787019312      1.202564921      2.547843111      1.578875562
  2.547626758      3.900936115     0.9653636446      1.618492554
  1.352634332
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1164.909963      159.4795467      25.73693989      2.634241043
  21292.43700      3209.024500      727.7900000      196.0946600
  293.3112600      33.28018200      14.11378100      25.92426000
  4.449256000      1.974252000      3.133996000     0.6033740000
 0.2618210000     0.3292630000     0.5169900000E-01 0.2142700000E-01
 -0.016540068278  0.005250969982  0.002142828980 -0.000763745223
 -0.119220415719  0.039946317830  0.016449915593 -0.005878071143
 -0.410933581165  0.157601590779  0.065768367010 -0.023488632298
 -0.442295853169  0.219110771959  0.094360530469 -0.033480055041
 -0.096697592223  0.087554007033  0.041688605975 -0.015580359725
 -0.361144376240 -0.724557617891 -0.416187495604  0.147932197982
 -0.121510406241 -0.468213723883 -0.300318078053  0.101916454606
  0.393642416901  0.069183972134 -0.137210218598  0.082821685034
  0.117812849494  0.032534648828  1.007883818180 -0.417537487951
  0.057034169428  0.034703750696  0.515050505846 -0.182703170094
 -0.140010911162 -0.071708993953 -0.219750793104 -0.273858037985
 -0.019740604202 -0.013714125779 -0.052355135593  0.717802778757
 -0.020136641959 -0.014310608902 -0.079001463865  0.226255186131
  0.031612353753  0.022416401871  0.118372835898  0.346933753912
  0.000865225345  0.000694040235  0.001913195596 -0.084226921307
 -0.000327642812 -0.000273022194 -0.000510691634  0.034214466279
   10    3    6    6    6
  144.7287212      20.19928119      1.044314517
  931.8063900      218.8950400      68.13056800      23.38244400
  10.69231200      4.349435000      1.837716000     0.9471840000
 0.3932880000     0.1584010000
  0.026012815979  0.010948290580  0.003596432268
  0.171124269603  0.075787386985  0.025008217512
  0.494611746801  0.235829903446  0.079117670961
  0.452457044886  0.206667805906  0.066731941104
  0.014105531438 -0.359476545020 -0.146843231559
  0.042119243356 -0.612208215728 -0.300156701002
 -0.029903360375 -0.219151196294 -0.033476044111
  0.019371753550  0.005314091632  0.375207939772
 -0.007314932059 -0.007225862082  0.736726406668
  0.002078192612  0.002368409938  0.001583419115
    4    1   10
  10.15292894
  81.91937400      23.07403500      7.649958000      2.494336000
 -0.054200267489
 -0.270475449879
 -0.535438877691
 -0.393734626888
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00216a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.6708A
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  218800.0000      21530.00000      3635.000000      818.7000000
  231.7000000      71.24000000      23.10000000      7.426000000
  2.451090000     0.8534170000     0.3045850000
 -.5934241000E-01 -.1004184858     -.2050914433     -.3845552262
 -.6748751888     -1.078580618     -.9483289078     -1.354242057
 -2.965768851     -2.083861341     -.1449354701
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  52.24932246      3.259283332
  205.9000000      37.19000000      9.880000000      1.713000000
 0.6486000000     0.2108000000
  0.120784319905 -0.027922137529
  0.458964478769 -0.125693753082
  0.521969039031 -0.216909370748
  0.063860563826  0.269101320413
 -0.024888566167  0.617915674449
  0.007095161190  0.249321238220
    4    1    6
  1.449855840
  7.968000000      1.778000000     0.4582000000     0.1109000000
 -0.159558790028
 -0.436746685761
 -0.562346048312
 -0.094940371084
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.4.2.f. SrF2 (a=5.4825 A; Da/a=-.0541; P=4.0 GPa; K=24.65 GPa)    *
********************************************************************************
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00541a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00541a.                        *
********************************************************************************
/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00541a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.4825A
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  324151.1700      45313.57550      10160.50800      2919.497590
  996.4769320      324.8848150      107.5689970      42.77813830
  14.94146380      8.003782000      2.943670000      1.291500000
 0.7731100000
 0.1645945602     0.2156206603     0.3915166872     0.6353520929
 0.8787791919      1.202742663      2.548125814      1.578503846
  2.537725411      3.903999164     0.9403925587      1.377492566
  1.625154784
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1164.806752      159.3785196      25.63887314      2.541797269
  21292.43700      3209.024500      727.7900000      196.0946600
  293.3112600      33.28018200      14.11378100      25.92426000
  4.449256000      1.974252000      3.133996000     0.6033740000
 0.2618210000     0.3292630000     0.5169900000E-01 0.2142700000E-01
 -0.016540063407  0.005250954397  0.002142772364 -0.000765080023
 -0.119220370802  0.039946185992  0.016449395565 -0.005889335946
 -0.410933442525  0.157601099335  0.065767085346 -0.023523320995
 -0.442296310224  0.219110981481  0.094364238265 -0.033462915060
 -0.096697081994  0.087552922254  0.041682597706 -0.015664465822
 -0.361146527973 -0.724540331197 -0.416274753551  0.146644208098
 -0.121511025600 -0.468203325412 -0.300481589246  0.099546172015
  0.393644706011  0.069165031863 -0.137016136348  0.085787469631
  0.117813277338  0.032477165554  1.008778766390 -0.402302061123
  0.057033804781  0.034639613707  0.516470087351 -0.156043475929
 -0.140011000346 -0.071614637883 -0.221620516031 -0.306978687436
 -0.019739258621 -0.013620006375 -0.054564361022  0.662160251666
 -0.020132818427 -0.014087724914 -0.084658782425  0.081207817613
  0.031607536607  0.022128875011  0.125616489011  0.536571309071
  0.000865063384  0.000681543437  0.002182726849 -0.087026740871
 -0.000327566809 -0.000267477200 -0.000628732032  0.035503586044
   10    3    6    6    6
  144.6273819      20.10102934     0.9518596556
  931.8063900      218.8950400      68.13056800      23.38244400
  10.69231200      4.349435000      1.837716000     0.9471840000
 0.3932880000     0.1584010000
  0.026012709193 -0.010947838485 -0.003608492670
  0.171123250834 -0.075784193024 -0.025083336570
  0.494610010506 -0.235819594149 -0.079399073169
  0.452458244213 -0.206665846553 -0.066793021315
  0.014107030089  0.359463958814  0.146838130627
  0.042120629193  0.612151677058  0.302486397986
 -0.029904423464  0.219216984082  0.028974855952
  0.019371973633 -0.005337556511 -0.366483239371
 -0.007313787581  0.007383552508 -0.758201177684
  0.002076371261 -0.002549385800  0.020830186322
    4    1   10
  10.05425069
  81.91937400      23.07403500      7.649958000      2.494336000
 -0.054192741647
 -0.270448703636
 -0.535364752360
 -0.393853581348
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-00541a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.4825A
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  218800.0000      21530.00000      3635.000000      818.7000000
  231.7000000      71.24000000      23.10000000      7.426000000
  2.453800000     0.8620380000     0.3231990000
 -.5938444137E-01 -.1004841010     -.2052438307     -.3847769641
 -.6753331228     -1.079178030     -.9499721808     -1.356332140
 -2.959894532     -2.095238214     -.1341624423
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  52.25794253      3.282299868
  205.9000000      37.19000000      9.880000000      1.713000000
 0.6486000000     0.2108000000
  0.120783086936 -0.027898875198
  0.458954011060 -0.125649576078
  0.521964747093 -0.216493844937
  0.063885292518  0.266159996755
 -0.024877384159  0.622915958174
  0.007089124656  0.246208768797
    4    1    6
  1.472374739
  7.968000000      1.778000000     0.4582000000     0.1109000000
  0.159877815980
  0.436070414616
  0.570206516303
  0.081067231339
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.4.2.g. SrF2 (a=5.1690 A; Da/a=-.1082; P=8.0 GPa; K=24.65 GPa)    *
********************************************************************************
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01082a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01082a.                        *
********************************************************************************
/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01082a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.1690A
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  324151.1700      45313.57550      10160.50800      2919.497590
  996.4769320      324.8848150      107.5689970      42.75793830
  14.89756380      7.974692000      2.882510000      1.408150000
 0.8431400000
 0.1646263830     0.2156606422     0.3915911316     0.6354586176
 0.8789673256      1.203061365      2.549032566      1.580087006
  2.561005489      3.896672052     0.9367424500     0.9343823301
  2.052712641
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1164.608046      159.1847046      25.45156202      2.362916954
  21292.43700      3209.024500      727.7900000      196.0946600
  293.3112600      33.28018200      14.11378100      25.92426000
  4.449256000      1.974252000      3.133996000     0.6033740000
 0.2618210000     0.3292630000     0.5169900000E-01 0.2142700000E-01
 -0.016540052641  0.005250921203  0.002142655406 -0.000768399206
 -0.119220271449  0.039945897946  0.016448358559 -0.005916857552
 -0.410933133439  0.157600089349  0.065764192383 -0.023612739515
 -0.442297287578  0.219111928645  0.094369073416 -0.033457799788
 -0.096695984085  0.087550226427  0.041672310179 -0.015845489188
 -0.361151469647 -0.724510544411 -0.416396654312  0.144203909290
 -0.121512630917 -0.468191141462 -0.300729031848  0.094902063111
  0.393650081623  0.069137178206 -0.136720213506  0.091777787297
  0.117815145706  0.032397654088  1.010146094040 -0.372057386907
  0.057034114847  0.034556751130  0.518710921314 -0.101984085060
 -0.140012835196 -0.071491475780 -0.224558370020 -0.374085399607
 -0.019737576740 -0.013480690826 -0.058253726738  0.543701667456
 -0.020126692266 -0.013720733379 -0.095050672038 -0.253859585276
  0.031600122947  0.021666789458  0.138645477831  0.964450017408
  0.000864856111  0.000662567512  0.002640032961 -0.088311015642
 -0.000327460501 -0.000258185837 -0.000842407165  0.036878036780
   10    3    6    6    6
  144.4328482      19.91336230     0.7740282319
  931.8063900      218.8950400      68.13056800      23.38244400
  10.69231200      4.349435000      1.837716000     0.9471840000
 0.3932880000     0.1584010000
 -0.026012467348 -0.010946839649  0.003634262810
 -0.171120961869 -0.075777010571  0.025249892619
 -0.494606103826 -0.235797032634  0.079989137852
 -0.452460977367 -0.206659678192  0.067037890758
 -0.014110266564  0.359430339673 -0.147168780817
 -0.042124102148  0.612040256784 -0.306584492539
  0.029907640272  0.219324958127 -0.022269540200
 -0.019373560794 -0.005329285109  0.353137079558
  0.007312250289  0.007688438882  0.798378622997
 -0.002072854336 -0.002959328959 -0.065822969719
    4    1   10
  9.865665059
  81.91937400      23.07403500      7.649958000      2.494336000
  0.054175922516
  0.270388892635
  0.535199069400
  0.394119434445
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01082a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=5.1690A
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  218800.0000      21530.00000      3635.000000      818.7000000
  231.7000000      71.24000000      23.10000000      7.426000000
  2.454460000     0.8751670000     0.3637200000
 -.5945178715E-01 -.1005777645     -.2055044611     -.3850792386
 -.6760957963     -1.080135485     -.9522311556     -1.360945832
 -2.954003031     -2.105999297     -.1199761513
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  52.28418237      3.330970331
  205.9000000      37.19000000      9.880000000      1.713000000
 0.6486000000     0.2108000000
  0.120781142440 -0.027869694895
  0.458938236478 -0.125637532175
  0.521957971722 -0.215835906415
  0.063923187754  0.260972944993
 -0.024860997524  0.632855202140
  0.007081199516  0.239423608872
    4    1    6
  1.520093574
  7.968000000      1.778000000     0.4582000000     0.1109000000
 -0.160368639940
 -0.434819532072
 -0.582981939202
 -0.058228742170
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.4.2.h. SrF2 (a=4.8555 A; Da/a=-.1623; P=12.0 GPa; K=24.65 GPa)   *
********************************************************************************
*             /Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01623a.                       *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01623a.                        *
********************************************************************************
/Sr.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01623a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=4.8555A
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  324151.1700      45313.57550      10160.50800      2919.497590
  996.4769320      324.8848150      107.5689970      42.67913830
  14.68546380      7.808872000      2.461680000     0.9288800000
 0.8805000000E-01
 0.1646698778     0.2157133872     0.3916958269     0.6355939459
 0.8792411818      1.203436174      2.550658603      1.586662080
  2.680791046      3.849797002      1.202268819      2.637968421
 0.1503635315E-02
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1164.367616      158.9513926      25.22736430      2.143720080
  21292.43700      3209.024500      727.7900000      196.0946600
  293.3112600      33.28018200      14.11378100      25.92426000
  4.449256000      1.974252000      3.133996000     0.6033740000
 0.2618210000     0.3292630000     0.5169900000E-01 0.2142700000E-01
 -0.016540037154  0.005250875345  0.002142509141 -0.000773655929
 -0.119220128214  0.039945491915  0.016447097222 -0.005959550997
 -0.410932686476  0.157598731568  0.065760322532 -0.023760101760
 -0.442298663447  0.219113795250  0.094372399741 -0.033518013064
 -0.096694434313  0.087546073191  0.041661457684 -0.016080909006
 -0.361158664108 -0.724476465935 -0.416486773288  0.141725273918
 -0.121515058377 -0.468184489726 -0.300945731389  0.089819132829
  0.393657964392  0.069111365572 -0.136460390387  0.098744917065
  0.117818351655  0.032330856966  1.011366245500 -0.337956880864
  0.057035263763  0.034497069930  0.520821960947 -0.038287434003
 -0.140016440721 -0.071399818548 -0.227302823387 -0.452847327412
 -0.019736144086 -0.013354385676 -0.062068875403  0.389625979365
 -0.020119755429 -0.013335364243 -0.107506320856 -0.745390144039
  0.031592069467  0.021196796471  0.153769541327  1.572657644230
  0.000864695992  0.000647808132  0.003109509706 -0.080647768351
 -0.000327374338 -0.000249857268 -0.001070851119  0.035484946709
   10    3    6    6    6
  144.1984734      19.68890504     0.5574521907
  931.8063900      218.8950400      68.13056800      23.38244400
  10.69231200      4.349435000      1.837716000     0.9471840000
 0.3932880000     0.1584010000
 -0.026012110853  0.010945428923 -0.003669749656
 -0.171117621217  0.075766434103 -0.025491503714
 -0.494600366839  0.235765907214 -0.080779001385
 -0.452465127265  0.206644235382 -0.067606746775
 -0.014114562512 -0.359362358268  0.148317955874
 -0.042130194427 -0.611930138433  0.310442841160
  0.029914594207 -0.219345743364  0.018976777413
 -0.019378759593  0.005108635456 -0.345668912235
  0.007312398304 -0.007957310441 -0.841738966350
 -0.002068798134  0.003534383262  0.121469080184
    4    1   10
  9.639947614
  81.91937400      23.07403500      7.649958000      2.494336000
 -0.054151403079
 -0.270301712528
 -0.534957144760
 -0.394507332814
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-SrF2-01623a.
J.L.Pascual, Z.Barandiaran, and L.Seijo, Phys.Rev.B 76(2007)104109.
From a SCEI calculation in SrF2 with a=4.8555A
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  218800.0000      21530.00000      3635.000000      818.7000000
  231.7000000      71.24000000      23.10000000      7.426000000
  2.459530000     0.8918300000     0.4298200000
 -.5950859452E-01 -.1006477941     -.2057397102     -.3852702166
 -.6768868194     -1.080506939     -.9549488539     -1.362153670
 -2.939667673     -2.113914555     -.1207551754
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  52.33360539      3.398141804
  205.9000000      37.19000000      9.880000000      1.713000000
 0.6486000000     0.2108000000
  0.120779805566 -0.027851316168
  0.458927709951 -0.125716089354
  0.521954281278 -0.215172470400
  0.063942722178  0.255157709137
 -0.024840615429  0.645418081153
  0.007071787164  0.230159891111
    4    1    6
  1.587665151
  7.968000000      1.778000000     0.4582000000     0.1109000000
  0.160790683701
  0.432851180332
  0.596063333298
  0.035467858731
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.4.3. BaF2                                                          *
********************************************************************************
*           E.4.3.a. BaF2                                                      *
*             /Ba.ECP.Pascual.0s.0s.0e-AIMP-BaF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-BaF2.                               *
********************************************************************************
/Ba.ECP.Pascual.0s.0s.0e-AIMP-BaF2.
J.L.Pascual, J.Schamps, Z.Barandiaran,L.Seijo, Phys.Rev.B 74(2006)104105
From a SCEI calculation on BaF2, a=6.2001 A.
  2.000    0
    0    0
*
* External AIMP: BA(BAF2)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   14
   414951.1700
   67803.57550
   16605.50800
   4830.997590
   1609.586930
   534.6548150
   206.9989970
   76.89093830
   30.24396380
   5.401892000
   2.576900000
   .5801000000
   .6902000000
   .4302100000

   .237843214000
   .277090265500
   .503958945000
   .838848660000
  1.094095535000
  1.615011610000
  2.880222015000
  1.822214265000
  6.409149300000
  5.553431150000
  2.453715195000
 -3.490576935000
  5.295742750000
  1.509254060000
M2
    0
COREREP
   1.0
PROJOP
    2
   15    5
  2639.87626      412.905775      89.3306644      17.9528885      1.92569478
   47302.74600
   7130.524000
   1620.501400
   438.0611000
   652.9869200
   75.49296100
   33.33153300
   64.32108100
   10.07863900
   11.93918300
   1.968215000
   2.264372000
   .3081910000
   .1071500000E-01
   .3310900000E-01
   .016239438000  -.006113660540  -.002336864010  -.001302392350   .000485022807
   .114021956000  -.043052171400  -.016927194600  -.008310006120   .003418788450
   .422874297000  -.159177190000  -.060730033200  -.034108110400   .012625332700
   .561619099000  -.209399390000  -.075556619200  -.053718797100   .016791355500
  -.008453919480  -.120241945000  -.071138347200  -.021646090500   .012218742600
   .019891879100   .686605039000   .290941544000   .316259699000  -.064373519700
  -.002133217320   .432292844000   .183994534000   .209201224000  -.042626072200
   .023716127500  -.007062416040   .414394156000   .017183216600  -.090057186200
   .008228089770   .011196723600 -1.222248260000  -.527620081000   .366880856000
   .005226782420   .004054074790   .053270983100  -.651319715000   .167023036000
  -.034057997400   .035225470300   .104746127000  1.455385310000  -.687400895000
   .039945003200  -.025644306400  -.211452760000  -.193801701000  -.327797187000
  -.000062030926  -.002539640460   .000307226961   .050967899900  1.244484560000
  -.000023196176   .000022860053  -.000435975089   .004018959750   .004181542190
   .000049207590  -.000058976716   .000922691216  -.008413792250  -.004066788930
   10    4
  388.896174      78.8524540      13.9441241      .694676723
   2235.786200
   527.3327200
   166.0505700
   58.19858800
   24.95919500
   9.902568000
   4.004256000
   1.652295000
   .5454940000
   .2024310000
   .023579652200  -.012464552400   .005862207190  -.002156723980
   .159994020000  -.084575201600   .039776587300  -.014633928300
   .479660086000  -.253555405000   .119249715000  -.043872335500
   .469255482000  -.248055377000   .116662995000  -.042920673500
   .025360467300   .503885630000  -.347736988000   .137220274000
   .032097778800   .637748875000  -.440117479000   .173674481000
  -.019497868500   .041972751800   .630409745000  -.340295556000
   .009735019760   .014839683500   .602903309000  -.360386512000
  -.003879944680  -.006171835650   .031529573700   .720603296000
   .001344403830   .002180782320  -.001001189540   .500655086000
    6    2
  59.6180123      6.80939568
   277.5324800
   81.25850500
   28.99395500
   10.66656700
   5.454921000
   1.738906000
   .036651352200  -.016366384800
   .213154893000  -.095182709400
   .518331911000  -.231457204000
   .414598867000  -.151113148000
   .028583487600   .497046216000
   .014756167300   .689345146000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-BaF2.
J.L.Pascual, J.Schamps, Z.Barandiaran,L.Seijo, Phys.Rev.B 74(2006)104105
From a SCEI calculation on BaF2, a=6.2001 A.
 -1.000    0
    0    0
*
* External AIMP: F(BAF2)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   278551.1700
   33443.57550
   6371.508000
   1535.976930
   446.0975900
   144.3848150
   51.05493830
   17.92096380
   6.595792000
   2.962997000
   1.265400000
   .5169400000

  -.050803872700
  -.074826316700
  -.148708287000
  -.264135318000
  -.462702538000
  -.780805430000
  -.999048424000
  -.857593634000
 -1.152778200000
 -2.072128240000
 -2.134575770000
 -1.001893960000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  52.6728450      3.23996944
   2604.457100
   392.6462400
   89.58306800
   25.10559100
   7.702358000
   13.37959100
   1.221167000
   .3709440000
   .006176378690  -.001516501790
   .045763251500  -.011236366200
   .198461404000  -.048728727700
   .485921707000  -.119309579000
   .404488803000  -.099315153000
  -.001912411760  -.081779955700
   .017562308800   .534023543000
  -.002533405860   .578551988000
    6    1
  1.45910771
   44.32937800
   10.00597400
   2.948091000
   .9179410000
   .2683340000
   .7400000000E-01
   .015102048900
   .095267041400
   .290817085000
   .432287987000
   .436552892000
  -.002387611170
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.4.4. CdF2                                                          *
********************************************************************************
*           E.4.4.a. CdF2                                                      *
*             /Cd.ECP.Pascual.0s.0s.0e-AIMP-CdF2.                              *
*             /F.ECP.Pascual.0s.0s.0e-AIMP-CdF2.                               *
********************************************************************************
/Cd.ECP.Pascual.0s.0s.0e-AIMP-CdF2.
J.L.Pascual, L.Seijo, unpublished.
From a SCEI calculation on CdF2.
  2.000    0
    0    0
*
* External AIMP: CD(CDF2)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   421351.1700
   70673.57550
   17812.50800
   5352.797590
   1790.026930
   585.9948150
   202.1289970
   85.11093830
   26.17356380
   15.02439200
   3.446900000
   1.692500000
   .6608400000

   .190627580500
   .215375049000
   .380868978500
   .638097240000
   .960741070000
  1.248193285000
  2.448203260000
  2.049925015000
  3.774820790000
  3.480706990000
  2.990342820000
  3.679947350000
   .942150575000
M2
    0
COREREP
   1.0
PROJOP
    2
   16    4
  1907.75382      283.108150      54.5723434      8.06585127
   34402.84600
   5187.966600
   1178.581100
   318.2967200
   475.1595400
   54.90800000
   23.76744000
   43.87417800
   7.899558000
   3.593619000
   6.647007000
   1.502516000
   .6431450000
   .8226850000
   .1168050000
   .4243500000E-01
   .016351918800  -.006180644110   .001947918010  -.001798113290
   .114818758000  -.043440303000   .013704526900  -.012559147300
   .423617388000  -.160108061000   .050457277600  -.046598279900
   .556137781000  -.209088855000   .065376687200  -.061565079500
  -.004046705130  -.117596250000   .064226041500  -.026529860000
   .021400910200   .669938738000  -.367122275000   .166178491000
   .000153115620   .440725046000  -.239025449000   .113056630000
   .011325599700  -.003109186250  -.294457274000   .157459151000
  -.055969213900   .003122432040   .942436085000  -.609181186000
  -.019670947800  -.002669289350   .344180096000  -.229716817000
   .115666782000   .021667477600  -.003400237310  -.311593438000
  -.168964104000  -.011199746000  -.008706526850   .958310393000
  -.208698639000  -.016032338800  -.018948754700   .466378137000
   .410659771000   .034870475000   .041044163600  -.022378281300
  -.001752004640   .000047118622  -.000366114758  -.015740438300
   .000416988043  -.000000747468   .000058202998   .002989151270
   10    3
  263.329092      46.3720960      5.28849320
   1589.773600
   374.2102800
   116.8077900
   40.76348300
   129.3202800
   16.43875100
   6.341754000
   2.601431000
   1.122899000
   .4594380000
   .024211986000  -.011351394600   .004557790070
   .164405545000  -.077078857400   .030948554000
   .485909368000  -.227810680000   .091470104400
   .464069243000  -.217571293000   .087358805800
  -.001266484860  -.025920592200   .015229384000
   .024946806300   .510575386000  -.299983448000
   .030618144200   .626648181000  -.368180855000
  -.021377465700   .022212245400   .451966812000
   .011646436900   .026271377500   .620162438000
  -.003673924220  -.007972249460   .166593023000
    7    2
  31.3230388      .708886950
   176.5624100
   51.14662800
   17.89437900
   6.422866000
   3.828546000
   1.310950000
   .4097160000
   .041702915800  -.014023143600
   .231291123000  -.077774624800
   .522006045000  -.175531269000
   .412230096000  -.138617689000
   .003358102920   .286823271000
   .032882917600   .589841613000
  -.007603484840   .392437580000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Pascual.0s.0s.0e-AIMP-CdF2.
J.L.Pascual, L.Seijo, unpublished.
From a SCEI calculation on CdF2.
 -1.000    0
    0    0
*
* External AIMP: F(CDF2)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   279651.1700
   33693.57550
   6445.508000
   1561.976930
   456.2975900
   148.2848150
   52.58493830
   18.65096380
   6.780792000
   2.961997000
   1.280400000
   .5599400000

  -.050747588600
  -.074517975500
  -.147620566000
  -.261073753000
  -.455499428000
  -.769822641000
  -.995427853000
  -.857087337000
 -1.167902320000
 -2.116658600000
 -2.067421040000
 -1.036220900000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  52.7660847      3.37103358
   2604.457100
   392.6462400
   89.58306800
   25.10559100
   7.702358000
   13.37959100
   1.221167000
   .3709440000
   .006176127500  -.001510775090
   .045761390300  -.011193934800
   .198453333000  -.048544715400
   .485901944000  -.118859035000
   .404472353000  -.098940113300
  -.001908184420  -.081385248500
   .017661663800   .528081665000
  -.002551978980   .583985693000
    6    1
  1.58764254
   44.32937800
   10.00597400
   2.948091000
   .9179410000
   .2683340000
   .7400000000E-01
   .015140281800
   .095508222900
   .291553328000
   .435970966000
   .451393560000
  -.046818466000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
*    E.5. Miscellany                                                           *
********************************************************************************
********************************************************************************
*                                                                              *
********************************************************************************
*         E.5.1. Cs2GeF6                                                       *
********************************************************************************
*           E.5.1.a. Cs2GeF6 (a=9.021 A, x=0.20)                               *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.                             *
*             /Ge.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.                             *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.                              *
********************************************************************************
*         E.5.2. Cs2ZrCl6                                                      *
********************************************************************************
*           E.5.2.a. Cs2ZrCl6 (a=10.407 A, x=0.235)                            *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.                            *
*             /Zr.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.                            *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.                            *
********************************************************************************
*         E.5.3. YVO4                                                          *
********************************************************************************
*           E.5.3.a. YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)         *
*             /Y.ECP.Pascual.0s.0s.0e-AIMP-YVO4.                               *
*             /V.ECP.Pascual.0s.0s.0e-AIMP-YVO4.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-YVO4.                               *
********************************************************************************
*         E.5.4. Al2O3  D63d(R3c)                                              *
********************************************************************************
*           E.5.4.a. Al2O3 (D63d(R3c) a=4.76 A c=12.995 A z=0.35219 x=0.69367) *
*             /Al.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.                             *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.                              *
********************************************************************************
*         E.5.5. SrB4O7 (SrB4O7)                                               *
********************************************************************************
*           E.5.5.a. SrB4O7                                                    *
*             Structure:                                                       *
*                    J. Krogh-Moe, Acta Chem. Scand. 18 (1964) 2055.           *
*                    No. 31: Pmn21 orthorombic a=10.711_A, b=4.427_A, c=4.235_A*
*             Embedding potentials:                                            *
*                    M. de Jong, A. Meijerink, R. A. Gordon, Z. Barandiaran,   *
*                    L.Seijo, J.Phys.Chem. C, 119(2014)9696.                   *
*                    Out of SCEI DKH-HF calculations                           *
*             /Sr.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-Sr.                          *
*             /Sr.ECP.DeJong.23s19p.1s1p.0e-AIMP-SrB4O7-Sr.                    *
*             /B.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-B1.                           *
*             /B.ECP.DeJong.12s.1s.0e-AIMP-SrB4O7-B1.                          *
*             /B.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-B2.                           *
*             /B.ECP.DeJong.12s.1s.0e-AIMP-SrB4O7-B2.                          *
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O1.                           *
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O2.                           *
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O3.                           *
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O4.                           *
********************************************************************************
*         E.5.6. Lu2O3                                                         *
********************************************************************************
*           E.5.6.a. Lu2O3                                                     *
*             Structure:                                                       *
*                    Wyckoff                                                   *
*                    Marsella, PRB 69 172103                                   *
*                    No. 206: Ia3 cubic.                                       *
*                    a=10.391 A (Wyckoff)                                      *
*                    u=-0.0330, x(O)=0.3912, y(O)=0.1521, z(O)=0.3800(Marsella)*
*             Embedding potentials:                                            *
*                    J.L.Pascual, Z.Barandiaran, L.Seijo                       *
*                    Theor.Chem.Acc., 129(2011)545                             *
*                    Out of SCEI HF calculations                               *
*             /Lu.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3-Lu(1).                       *
*             /Lu.ECP.Pascual.14s10p.1s1p.0e-AIMP-Lu2O3-Lu(1).                 *
*             /Lu.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3-Lu(2).                       *
*             /Lu.ECP.Pascual.14s10p.1s1p.0e-AIMP-Lu2O3-Lu(2).                 *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3.                              *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*    E.5. Miscellany                                                          *
********************************************************************************
*                                                                              *
********************************************************************************
*         E.5.1. Cs2GeF6                                                      *
********************************************************************************
*           E.5.1.a. Cs2GeF6 (a=9.021 A, x=0.20)                              *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.                            *
*             /Ge.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.                            *
*             /F.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.                             *
********************************************************************************
*           Cs2GeF6                                                            *
*           Oh5(Fm3m), a=9.021 A, x=0.20, Wyckoff, 1968                        *
********************************************************************************
/Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.
L. Seijo, Z. Barandiaran, and D.S. McClure, Int.J.Quantum Chem. 80(2000)623.
From a SCEI calculation on Cs2GeF6 (Oh5(Fm3m), a=9.021 A, x=0.20, Wyckoff, 1968)
  1.000    0
    0    0
*
* External AIMP: Cs(Cs2GeF6)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   15
   412200.0000
   66070.00000
   16111.00000
   4829.000000
   1593.200000
   499.0000000
   202.9000000
   59.38000000
   27.75000000
   7.896000000
   4.315000000
   1.866000000
   .7166000000
   .3904000000
   .2499000000

   .496345353000
   .591671440000
  1.032516750000
  1.673764800000
  2.263241210000
  3.270497420000
  6.074367600000
  4.559319800000
 11.440302300000
  1.735049300000
 11.602231700000
  2.747253620000
  4.279232550000
  2.223781090000
   .010425062600
M2
    0
COREREP
   1.0
PROJOP
    2
   11    5
  2663.57154      425.801631      92.0499860      19.0399257      2.17080000
   33313.72970
   3974.353370
   773.5431020
   68.95959780
   23.82251990
   14.68367750
   7.100338070
   4.198977640
   1.836810800
   .3628488660
   .1568368940
   .051400731200   .017713712500   .007728950340   .003475158890   .001225120150
   .254359876000   .106434067000   .050184496800   .023581409400   .008568809300
   .736676609000   .358208730000   .168004100000   .077418281600   .029230668600
   .288025410000  -.825579235000  -.739489962000  -.390942721000  -.145096923000
  -.658799669000  -.345777227000  -.356661923000  -.274413319000  -.104619004000
   .786232366000   .112218164000   .926930016000   .875777668000   .342524506000
  -.543594819000  -.040730461000   .521270120000   .686329463000   .375336455000
   .304811675000   .016739812000   .050760226600  -.429460146000  -.301719439000
  -.067898881500  -.003297786700   .008617958740 -1.085791200000  -.841699353000
   .013543212500   .000210733999  -.000991882440  -.073917256400   .911486743000
  -.006034411060  -.000159447599   .000496693802   .023720667600   .374234782000
   10    4
  381.900707      77.5322042      14.1904492      .936200000
   1835.939350
   412.7449050
   125.9339220
   18.54755560
   8.381149310
   4.592322460
   2.150344150
   .4615536950
   .2062279720
   .9242510200E-01
   .056520125800   .021686907400   .009272738120  -.002899224690
   .171899237000   .111813194000   .053187300800  -.018954706800
   .737178558000   .339659459000   .151122414000  -.050240440500
   .444446974000  -.562858154000  -.442982861000   .152685864000
  -.460759082000  -.485193639000  -.216995650000   .108952521000
   .324536876000  -.003463784320   .271144558000  -.197341416000
  -.106213989000  -.023768939100   .842773248000  -.362142531000
   .032403023400   .005853287600   .149950755000   .497620053000
  -.024513628700  -.004775439830  -.078570531800   .611407434000
   .008754292540   .001732365890   .025020547400   .007143475680
    7    2
  56.1008389      6.87499790
   214.3000000
   64.91000000
   24.62000000
   10.31500000
   4.144000000
   1.725000000
   .6684000000
   .056355186000   .025265276800
   .259335436000   .114380454000
   .487532354000   .219610461000
   .361650038000   .038915689900
   .064477717300  -.462584440000
  -.002844159930  -.526167083000
   .000709728006  -.150030084000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Ge.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.
L. Seijo, Z. Barandiaran, and D.S. McClure, Int.J.Quantum Chem. 80(2000)623.
From a SCEI calculation on Cs2GeF6 (Oh5(Fm3m), a=9.021 A, x=0.20, Wyckoff, 1968)
  4.000    0
    0    0
*
* External AIMP: Ge(Cs2GeF6)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   329500.0000
   46220.00000
   10277.00000
   2789.300000
   916.0000000
   310.3700000
   96.02000000
   36.66000000
   10.73600000
   2.523400000
   6.532100000

   .063570580000
   .082275933250
   .154813515750
   .265575805000
   .387430077500
   .474838425000
  1.001458747500
  1.062313087500
   .512541000000
  1.212432015000
  1.782750810000
M2
    0
COREREP
   1.0
PROJOP
    2
   11    3
  806.997000      104.881000      14.9584000
   5073.749900
   767.7241700
   168.1888100
   224.9836600
   21.18765900
   8.625637000
   17.76430500
   2.855150300
   1.158582700
   1.585949300
   .2269240900
   .061739244300   .020793462400   .008089048140
   .367303172000   .123705834000   .048123897100
   .674025999000   .227008516000   .088310584500
  -.010406494800   .109184232000   .050306130000
   .069842128800  -.732778841000  -.337624461000
   .035199563000  -.369311409000  -.170158523000
  -.018849297500  -.001807383650  -.250974492000
  -.135745095000   .003028216870   .789595622000
  -.143166717000   .010044709800   .451007175000
   .239973814000  -.020159553500   .007803392750
   .006040117370   .000060078104  -.012759129500
    8    2
  93.0496000      10.9262000
   293.7317400
   67.55254600
   19.56863100
   7.432626800
   2.842684200
   1.104116800
   .3822414500
   .1414729600
  -.087722313400  -.037907281800
  -.430590122000  -.186070117000
  -.597624975000  -.258250580000
  -.032776985300   .292649950000
  -.051906998300   .608835960000
   .026810251100   .284077754000
  -.012417733100  -.000252719388
   .004325327710  -.005111119390
    3    1
  3.74032000
   24.32142100
   6.223813500
   1.588737500
  -.159392522000
  -.515531389000
  -.580762245000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Seijo.0s.0s.0e-AIMP-Cs2GeF6.
L. Seijo, Z. Barandiaran, and D.S. McClure, Int.J.Quantum Chem. 80(2000)623.
From a SCEI calculation on Cs2GeF6 (Oh5(Fm3m), a=9.021 A, x=0.20, Wyckoff, 1968)
 -1.000    0
    0    0
*
* External AIMP: F(Cs2GeF6)
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   224900.0000
   22640.00000
   3869.000000
   874.0000000
   247.5000000
   75.86000000
   25.30000000
   8.053000000
   2.561000000
   .8997000000
   .3521000000

  -.058286147000
  -.097139675600
  -.198189826000
  -.370123937000
  -.655496034000
 -1.055863860000
  -.938532254000
 -1.332754430000
 -2.964781210000
 -2.146513130000
  -.182319494000
M2
    0
COREREP
   1.0
PROJOP
    1
    6    2
  51.8742000      2.95080000
   205.9000000
   37.19000000
   9.880000000
   1.713000000
   .6486000000
   .2108000000
   .120781214000  -.027832628200
   .458939996000  -.125620121000
   .521965438000  -.215038954000
   .063899425700   .255120201000
  -.024831911100   .643565040000
   .007042436960   .232326919000
    4    1
  1.08666667
   7.968000000
   1.778000000
   .4582000000
   .1109000000
   .160036804000
   .439209521000
   .565684757000
   .083705013400
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.5.2. Cs2ZrCl6                                                      *
********************************************************************************
*           E.5.2.a. Cs2ZrCl6 (a=10.407 A, x=0.235)                            *
*             /Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.                            *
*             /Zr.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.                            *
*             /Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.                            *
********************************************************************************
*           Cs2ZrCl6                                                           *
*           Oh5(Fm3m), a=10.407 A, x=0.235, Wyckoff, 1968                      *
********************************************************************************
/Cs.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.
L.Seijo and Z.Barandiaran, J.Chem.Phys. 115(2001)5554.
From SCEI calc. on Cs2ZrCl6 (Oh5(Fm3m), a=10.407 A, x=0.235, Wyckoff, 1968)
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   14
  420200.0000      68730.00000      16991.00000      5104.000000
  1661.200000      507.2000000      186.8000000      71.17000000
  25.82000000      10.69700000      4.232000000      1.737000000
 0.6239000000     0.3338000000
 0.4400002405     0.5126352196     0.9081230088      1.527061593
  2.119080925      2.855017339      5.171016150      5.164199033
  13.50697362      5.979624501      8.945249280      3.129585228
  2.925800604     0.8156332605
M2
    0
COREREP
   1.000
PROJOP
    2
   11    5    2    2    2    2    2
  2515.647252      391.8054564      84.41244457      16.96556336
  2.186143011
  33313.72970      3974.353370      773.5431020      68.95959780
  23.82251990      14.68367750      7.100338070      4.198977640
  1.836810800     0.3628488660     0.1568368940
 -0.027031520068  0.009196716245  0.004192165013  0.001937501576  0.000721399085
 -0.229739614543  0.083565072278  0.038379639492  0.017773830901  0.006622447755
 -0.740119095823  0.376635676600  0.182889143124  0.085671817053  0.031982401101
 -0.369214165817 -0.612169513238 -0.571168550450 -0.305224736176 -0.116666207147
  0.834574852747 -0.938730702976 -0.937450753117 -0.587683331472 -0.242155125738
 -1.005878785480  0.756816286007  1.437090275290  1.089919836100  0.474265110044
  0.711262331901 -0.517202379584  0.180769048043  0.534094506259  0.219422654950
 -0.399470324718  0.290394096663  0.336564781250 -0.099661689489 -0.024345053518
  0.087054305734 -0.064008278855 -0.047402781380 -1.229723267360 -0.991715590867
 -0.017973496411  0.013488687061  0.012383342746 -0.102480074900  0.802861478745
  0.008040361522 -0.006062641026 -0.005736773482  0.031915993575  0.485957417709
   10    4    6    6    6    6
  365.1665242      74.67044236      13.22467512      1.111431745
  1835.939350      412.7449050      125.9339220      18.54755560
  8.381149310      4.592322460      2.150344150     0.4615536950
 0.2062279720     0.9242510200E-01
  0.018806756859  0.012306879337  0.004017823912  0.001636570261
  0.105888574477  0.083449807940  0.028387964402  0.011680563210
  0.375857108360  0.268785035816  0.089278616408  0.036447497071
  0.283944795444  0.365381921646  0.216649925200  0.095842794765
  0.305981661210  0.473531301642  0.196328318410  0.094599657953
  0.223615366775  0.055574048372  0.192827852962  0.134596895811
  0.076497943623  0.045093703402  0.466141294667  0.261318440172
  0.023566477312  0.013005036770  0.106208683328  0.325080326127
  0.018073903959  0.010088520483  0.059564932952  0.427339689015
  0.006485756950  0.003649863516  0.020031822490  0.022754725535
    7    2   10   10
  56.23598790      6.486954844
  214.3000000      64.91000000      24.62000000      10.31500000
  4.144000000      1.725000000     0.6684000000
  0.052581662742  0.020679582487
  0.255851848854  0.101778631002
  0.489693297241  0.195892387730
  0.362730381025  0.038163318827
  0.063613310820  0.417273661893
  0.002658346591  0.466681691633
  0.000880160847  0.127541623858
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Zr.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.
L.Seijo and Z.Barandiaran, J.Chem.Phys. 115(2001)5554.
From SCEI calc. on Cs2ZrCl6 (Oh5(Fm3m), a=10.407 A, x=0.235, Wyckoff, 1968)
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  332551.1700      49423.57550      11390.50800      3214.497590
  1034.576932      320.6848150      108.2689970      39.05493830
  13.50096380      6.288792000      2.144400000      1.057700000
 0.4236000000
 0.8944897919E-01 0.1115825172     0.2052167272     0.3482780128
 0.5037612209     0.6897129125      1.440634187      1.215840036
  2.012083069      1.159265880     0.6890967709     0.5290668572
 0.6012830446E-02
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1301.073976      183.7340851      33.13064421      5.704941540
  23631.78600      3562.855000      808.6076300      218.0571000
  326.0172900      37.19304200      15.85233500      29.13382400
  5.046881800      2.262357600      3.736697900     0.7621345100
 0.3242028100     0.4350351500     0.6305064000E-01 0.2564552000E-01
 -0.016514841558  0.005267937580  0.002187047804 -0.000846568771
 -0.118999528129  0.040056366460  0.016782288132 -0.006509867248
 -0.410203967751  0.158190018510  0.067194966632 -0.026093720290
 -0.441957126540  0.220784058686  0.096931941851 -0.037660040180
 -0.097239669472  0.087671045175  0.042494210132 -0.017072042185
 -0.374982715165 -0.728711308670 -0.430162113829  0.172448755644
 -0.127531319166 -0.471687050823 -0.311417576819  0.125434337180
  0.410313330699  0.075246881039 -0.133373228945  0.080241925535
  0.147704713348  0.047450245233  1.088453151530 -0.544980483097
  0.061630295200  0.038496411490  0.510715512429 -0.270834269610
 -0.169584019878 -0.087663289584 -0.278831735465 -0.193228569966
 -0.024717991188 -0.017672724981 -0.063286128468  0.969041849412
 -0.016429009884 -0.012438324122 -0.051222825173  0.373805315633
  0.030543896338  0.022739736667  0.095810858415  0.021062182518
  0.000844737724  0.000762197392  0.000358235872 -0.066457258163
 -0.000319983975 -0.000282098349 -0.000353401103  0.016720221609
   10    3    6    6    6
  167.9791164      27.07294327      3.792189610
  1037.543000      244.3352100      76.35211200      26.34122700
  12.09156700      4.977793400      2.131535700      1.198328100
 0.5058045500     0.2017666200
  0.025679546815  0.008313329893  0.002849852560
  0.168645711353  0.057481470938  0.019869127538
  0.486600276680  0.178863031822  0.062630582816
  0.446003594511  0.156170532851  0.053763918186
  0.013081966613  0.273944181052  0.122817367329
  0.044140318499  0.456509988128  0.232225786827
  0.035725203319  0.153423251548  0.042184754187
  0.024321308958  0.005407285780  0.340782905031
  0.008088178244  0.004899606965  0.457006017035
  0.002151821221  0.001373538466  0.011221748065
    7    1   10
  16.03193904
  99.31632200      28.23295800      9.534058200      3.223312600
  1.533987300     0.4696928300     0.1305485900
  0.049734413316
  0.255082276855
  0.531424793000
  0.386711502393
  0.023097259790
  0.018133982229
  0.004683412789
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Seijo.0s.0s.0e-AIMP-Cs2ZrCl6.
L.Seijo and Z.Barandiaran, J.Chem.Phys. 115(2001)5554.
From SCEI calc. on Cs2ZrCl6 (Oh5(Fm3m), a=10.407 A, x=0.235, Wyckoff, 1968)
  -1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  371900.0000      57100.00000      13233.00000      3654.000000
  1157.400000      388.5000000      134.2000000      48.46000000
  17.66000000      6.452000000      1.683000000     0.6426000000
 0.2420000000
 -.1008067231     -.1219967268     -.2222107765     -.3908198185
 -.6462614860     -1.134715186     -1.329186456     -1.394666532
 -3.697185232     -3.140019331     -1.918039474     -3.463167502
 -.4409247553
M2
    0
COREREP
   1.000
PROJOP
    1
    9    3    2    2    2
  208.2663471      20.73615211      1.956972982
  1364.961500      206.0373000      44.78080200      59.37822900
  5.180495200      2.022433600      3.425198000     0.4591995100
 0.1496382500
 -0.065292003849  0.018778245411 -0.005473227503
 -0.363438194937  0.116611525048 -0.034393684620
 -0.487694895353  0.205859866237 -0.063778022743
 -0.153065273262  0.092338119272 -0.027857616057
 -0.358779122420 -0.653161228912  0.269430659651
 -0.167404875015 -0.406164530315  0.246556022949
  0.432835779405 -0.031435385151  0.072613907848
  0.020929326959 -0.014317887130 -0.764778729179
 -0.006697840719  0.001472481018 -0.436816587569
    6    2    6    6
  15.62541235     0.7097711760
  63.76258100      14.19345700      3.795566700      1.041159100
 0.3525002600     0.9954514000E-01
  0.100393231369  0.023666468179
  0.456945370589  0.115594775410
  0.577939574682  0.143301089519
  0.067976977293  0.190383857281
  0.000498286578  0.654062760226
  0.000366839356  0.187253041867
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.5.3. YVO4                                                          *
********************************************************************************
*           E.5.3.a. YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)         *
*             /Y.ECP.Pascual.0s.0s.0e-AIMP-YVO4.                               *
*             /V.ECP.Pascual.0s.0s.0e-AIMP-YVO4.                               *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-YVO4.                               *
********************************************************************************
*     Zircon lattice type
*     No. 141: I4 1/amd tetragonal
*     Positions: (a), (b), (h).
*       (a) Zr  (b) Si  (h) O
*     a = 13.460 b, c = 11.890 b
*     y(O) = 0.4346, z(O) = 0.2023
********************************************************************************
/Y.ECP.Pascual.0s.0s.0e-AIMP-YVO4.
J.L. Pascual, Z.Barandiaran, and L.Seijo, Int.J.Quantum Chem. 90(2002)751.
From a SCEI calculation in YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)
  3.000    0
    0    0
*
* External AIMP: Y(YVO4)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   411131.3300
   70237.89200
   17873.17300
   5301.826000
   1731.430330
   627.4210800
   231.4914490
   93.50518400
   33.74671500
   11.69659960
   5.479395300
   1.464118300
   .7338389300

   .095941338333
   .106594184667
   .187249990333
   .327783990000
   .516471293333
   .585167433333
   .868545800000
  1.685198423333
  1.045432123333
  3.166468500000
  1.188774970000
  1.539803776667
   .686568176667
M2
    0
COREREP
   1.0
PROJOP
    2
   16    4
  1230.86340      170.484000      28.3760000      3.09280000
   22535.50000
   3394.400000
   769.3080000
   207.1720000
   309.4710000
   35.23740000
   14.99810000
   27.48500000
   4.753340000
   2.129620000
   3.441250000
   .6778690000
   .2881100000
   .3732010000
   .5311200000E-01
   .2174400000E-01
   .016540887200  -.005791331600  -.002409071680  -.000897395424
   .116436031000  -.040766837800  -.016958143800  -.006317022790
   .428113606000  -.149892072000  -.062351937300  -.023226516600
   .553332061000  -.193733831000  -.080589183500  -.030020013600
  -.001354479440  -.116049053000  -.057596606500  -.021907604100
   .007813987040   .669486569000   .332274616000   .126384890000
   .005201395240   .445645000000   .221179226000   .084128340800
   .036208102900  -.002210598710   .277714509000   .133068202000
  -.111861160000   .006829414280  -.857970026000  -.411100338000
  -.053299370700   .003254064990  -.408803758000  -.195880227000
   .144608010000   .008926328220   .003684314820  -.319685647000
   .008819311440  -.011645084700   .009931084940   .877948014000
   .001758667060  -.014526127300   .024087252500   .358236676000
  -.005332254330   .022421379400  -.037271205600   .076993870500
   .000120188850   .000797951350  -.000506774892  -.046708246300
  -.000058137461  -.000317319345   .000113340069   .016323147800
   10    3
  155.258533      22.5762667      1.34400000
   987.0300000
   232.0540000
   72.33480000
   24.87860000
   11.45280000
   4.717860000
   2.027620000
   1.093910000
   .4690800000
   .1901090000
  -.025822625200   .012182824400  -.004306125400
  -.170735897000   .080551277000  -.028471550600
  -.491298045000   .231788896000  -.081927804500
  -.457683433000   .215929899000  -.076322304100
  -.014951824200  -.362691774000   .170556099000
  -.025210802400  -.611547494000   .287580702000
  -.008998662540  -.218283791000   .102648129000
   .019045233200   .004641686480  -.464733622000
  -.011437437500  -.006873863170  -.635256809000
   .003750330850   .001937512040  -.085999326700
    7    1
  12.0499200
   93.48480000
   26.40650000
   8.826900000
   2.931690000
   1.301810000
   .3877800000
   .1036240000
  -.048688954800
  -.252849581000
  -.525797107000
  -.406884270000
  -.013928601900
  -.021244805000
   .005845608720
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/V.ECP.Pascual.0s.0s.0e-AIMP-YVO4.
J.L. Pascual, Z.Barandiaran, and L.Seijo, Int.J.Quantum Chem. 90(2002)751.
From a SCEI calculation in YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)
  5.000    0
    0    0
*
* External AIMP: V(YVO4)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   412401.9300
   70519.09200
   17947.81300
   5333.116000
   1763.488330
   625.4008000
   249.4346190
   89.06432000
   33.83160600
   16.30630160
   3.630817000
   1.842623900
   .8574324390

   .026768636200
   .029451757000
   .051754105400
   .087132923800
   .149483099800
   .223994956000
   .243739054000
   .356187618000
   .695918398000
   .443965524000
   .656861210000
   .604397226000
   .030345492600
M2
    0
COREREP
   1.0
PROJOP
    1
   13    3
  403.849600      49.2866000      7.29900000
   7484.980000
   1128.920000
   255.6610000
   68.60540000
   102.7770000
   11.02460000
   4.513500000
   7.741930000
   1.233790000
   .4995580000
   .6043640000
   .8679200000E-01
   .3286900000E-01
   .017495789600  -.005699867140  -.002177533790
   .122351170000  -.039860185200  -.015227881200
   .440856103000  -.143624338000  -.054869147200
   .547551575000  -.178384131000  -.068148513300
  -.011684423900  -.108343482000  -.048613192700
   .070214794700   .651064648000   .292129536000
   .049331258400   .457422663000   .205243321000
  -.068161442600   .000828736469   .263014334000
  -.061505765000   .003295387000  -.926956531000
  -.125020302000  -.031593710600  -.297522634000
   .165012683000   .039548777400  -.030023500100
   .005247771200   .000321679915   .043897503600
  -.002047665260  -.000228524200  -.011346694200
    7    2
  41.5814000      4.87726667
   288.9050000
   67.23490000
   20.46680000
   6.801910000
   2.790960000
   1.058210000
   .3963360000
   .029509926400  -.012305930800
   .185630783000  -.077409870300
   .500472533000  -.208701990000
   .448936438000  -.187210929000
   .010870579000   .394633278000
   .023682068600   .665348623000
  -.007733589240   .112048288000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Pascual.0s.0s.0e-AIMP-YVO4.
J.L. Pascual, Z.Barandiaran, and L.Seijo, Int.J.Quantum Chem. 90(2002)751.
From a SCEI calculation in YVO4 (a=7.123 A, c=6.292 A, yO=0.4346, zO=0.2023)
 -2.000    0
    0    0
*
* External AIMP: O(YVO4)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   244639.3820
   25953.78140
   4554.183050
   1047.851840
   298.9645290
   96.93846850
   33.96644970
   11.08927790
   3.646914400
   1.591517770
   .8332929850
   .3995927100

  -.024125503950
  -.038885457800
  -.079297031000
  -.142287523000
  -.248300497500
  -.410047190500
  -.496115547500
  -.448017416500
  -.801189370000
  -.961109010000
  -.807713985000
  -.542911470000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  40.3598000      2.07940000
   2048.050000
   309.0990000
   70.41410000
   19.70120000
   6.031450000
   10.22970000
   .9340900000
   .2862500000
   .006201333660  -.001338602760
   .045634391200  -.009843576660
   .200025429000  -.047123370700
   .473762736000  -.121919925000
   .380870684000  -.118363189000
   .028857636000  -.054036226300
   .024897072900   .505521876000
  -.005773121870   .605660016000
    6    1
  .568466667
   34.97120000
   7.845090000
   2.303320000
   .7219800000
   .2155300000
   .5900000000E-01
  -.012850108700
  -.082695185700
  -.243165574000
  -.429037271000
  -.484654327000
   .000082958148
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.5.4. Al2O3                                                         *
********************************************************************************
*           E.5.4.a. Al2O3 (D63d(R3c) a=4.76 A c=12.995 A z=0.35219 x=0.69367) *
*             /Al.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.                             *
*             /O.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.                              *
********************************************************************************
*         D63d(R3c) a=4.75999 c=12.99481 z=0.35219 x=0.69367                   *
*         P.Thompson et al., J.Appl.Crystallogr. 20(1987)79.                   *
********************************************************************************
/Al.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.
J.L. Pascual, unpublished.
SCEI on Al2O3 (D63d(R3c) a=4.75999 c=12.99481 z=0.35219 x=0.69367)
  3.000    0
    0    0
*
* External AIMP: Al(Al2O3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   13
   441811.3300
   81930.99200
   21628.77300
   6435.806000
   2108.530330
   752.4640800
   283.6134490
   109.3431840
   40.25281500
   14.13199960
   6.509095300
   3.636958300
   1.922281930

   .019399028833
   .019865957367
   .035249315000
   .059489643333
   .099072061333
   .160590371667
   .261673056333
   .341908720000
   .336970706667
   .586430336667
   .719975476667
   .520896820000
   .171811839000
M2
    0
COREREP
   1.0
PROJOP
    1
   11    2
  116.238000      8.93500000
   5908.580000
   885.1210000
   200.7280000
   56.13320000
   17.16260000
   29.59110000
   2.997320000
   1.069540000
   1.307260000
   .1651860000
   .6055000000E-01
  -.005566079640  -.001601653820
  -.042441357200  -.012212610400
  -.188053976000  -.054113018300
  -.478682849000  -.137742228000
  -.422028110000  -.121439681000
   .002605326110  -.095713594400
  -.022989929900   .603269327000
  -.002295655010   .598507412000
   .007057154490  -.071696701600
  -.000071140879  -.027868367500
   .000167404718  -.000602355818
    8    1
  5.62333333
   122.4420000
   28.65160000
   8.855250000
   2.980410000
   1.001540000
   .3105050000
   .1124240000
   .4102600000E-01
   .013978413300
   .091638498300
   .298772255000
   .498439469000
   .323533441000
  -.003470619620
  -.032985746300
   .014522208100
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.
J.L. Pascual, unpublished.
SCEI on Al2O3 (D63d(R3c) a=4.75999 c=12.99481 z=0.35219 x=0.69367)
 -2.000    0
    0    0
*
* External AIMP: O(Al2O3)/OK
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   202377.3820
   18935.18140
   3070.561840
   665.3420500
   177.3436690
   55.46302900
   18.44044790
   5.458039700
   2.082439770
   .7662079800
   .3430494000

  -.027215647700
  -.047754306950
  -.100106001000
  -.190236084000
  -.345347036000
  -.506684920000
  -.462690932000
  -.637808995000
 -1.132267455000
  -.977447885000
  -.572440740000
M2
    0
COREREP
   1.0
PROJOP
    1
    8    2
  40.9060000      2.54780000
   2048.050000
   309.0990000
   70.41410000
   19.70120000
   6.031450000
   10.22970000
   .9340900000
   .2862500000
   .006201903810  -.001325946510
   .045638030200  -.009682931050
   .200049934000  -.046917593700
   .473784907000  -.116980349000
   .380726222000  -.104443010000
   .029003357900  -.064928382500
   .024752421000   .478484176000
  -.005756495390   .628306979000
    6    1
  1.12386667
   34.97120000
   7.845090000
   2.303320000
   .7219800000
   .2155300000
   .5900000000E-01
  -.014251804200
  -.078115486800
  -.297557251000
  -.311752738000
  -.548998757000
  -.039012804500
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.5.5. SrB4O7 (SrB4O7)
********************************************************************************
*           E.5.5.a. SrB4O7
*             Structure:
*                    J. Krogh-Moe, Acta Chem. Scand. 18 (1964) 2055.
*                    No. 31: Pmn21 orthorombic. a=10.711_A, b=4.427_A, c=4.235_A
*             Embedding potentials:
*                    M. de Jong, A. Meijerink, R. A. Gordon, Z. Barandiaran, and
*                    L.Seijo, J.Phys.Chem. C, 119(2014)9696.
*                    Out of SCEI DKH-HF calculations
*             /Sr.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-Sr.
*             /Sr.ECP.DeJong.23s19p.1s1p.0e-AIMP-SrB4O7-Sr.
*             /B.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-B1.
*             /B.ECP.DeJong.12s.1s.0e-AIMP-SrB4O7-B1.
*             /B.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-B2.
*             /B.ECP.DeJong.12s.1s.0e-AIMP-SrB4O7-B2.
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O1.
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O2.
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O3.
*             /O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O4.
********************************************************************************
/Sr.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-Sr.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of Sr(2+) in SrB4O7
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
* Orbital collapse correction: B4p*1.5
*
M1
   15
  519480.0000      103377.0000      29385.00000      9428.600000
  3331.100000      1271.030000      497.7000000      192.5800000
  87.15700000      39.89200000      14.45690000      7.361200000
  2.279880000     0.9661500000     0.4848200000
 0.1246951487     0.1203066094     0.2044410295     0.3372163958
 0.5313002719     0.7344986570     0.8497632487      1.367032964
  2.172600514      1.155895918      3.116162427      3.530093097
  1.165266114      2.217365179     0.3733624264
M2
    0
COREREP
   1.000
PROJOP
    2
   23    4    2    2    2    2
  1189.738307      165.7153946      27.42759728      3.411758248
  1356926000.      141892800.0      22561580.00      4799192.000
  1219783.000      353526.8000      113622.0000      39972.54000
  15034.94000      5926.680000      2407.021000      1006.711000
  433.0884000      190.2821000      83.26883000      37.21683000
  16.95688000      6.032933000      2.731918000     0.7281678000
 0.3242768000     0.5551481000E-01 0.2320024000E-01
 -0.000000340651  0.000000181950 -0.000000008149  0.000000036040
  0.000001034686 -0.000000663016  0.000000108859 -0.000000140399
  0.000117462180 -0.000037273402 -0.000016614867 -0.000005298035
  0.000244112556 -0.000083183164 -0.000030226861 -0.000012614320
  0.000643593916 -0.000202678674 -0.000092676137 -0.000028545420
  0.001505292436 -0.000510605412 -0.000190195181 -0.000077110287
  0.003442507457 -0.001116595221 -0.000478499151 -0.000160017593
  0.007764302751 -0.002590811566 -0.001045467504 -0.000379671806
  0.017891929039 -0.005974229665 -0.002478635255 -0.000874817336
  0.042507690752 -0.014587804436 -0.005973607211 -0.002131194458
  0.100764156203 -0.035796918350 -0.014953566786 -0.005312772378
  0.214675235736 -0.083955464807 -0.034936234511 -0.012487690420
  0.352302019486 -0.164658179874 -0.071862836607 -0.025683013904
  0.328063936573 -0.218173511992 -0.097004733023 -0.035248008849
  0.097408305277  0.020711814235  0.006717517527  0.002991899141
 -0.000362403301  0.571379625740  0.414249148707  0.160229394759
  0.001729106163  0.500447128026  0.466158924625  0.196546960624
 -0.000783057905  0.057812051502 -0.575040203921 -0.317973981095
  0.000349519066 -0.008345506603 -0.705899499886 -0.605612836504
 -0.000133753433  0.002594412038 -0.051340134789  0.628781355864
  0.000070827466 -0.001337256791  0.012425075055  0.659914610982
 -0.000019651248  0.000351202054 -0.002616466313 -0.001116386002
  0.000009449632 -0.000172134816  0.001332807897 -0.007351075624
   19    3    6    6    6
  146.8277475      21.13369785      2.55
  1354707.000      200274.8000      45452.31000      13185.88000
  4532.657000      1769.612000      753.3427000      343.2786000
  164.5665000      81.88608000      41.99079000      21.99829000
  11.53409000      5.985240000      3.115460000      1.591150000
 0.7655080000     0.3526135000     0.1471390000
  0.000004183177 -0.000001718007  0.000000326593
  0.000039200961 -0.000016423035  0.000005408596
  0.000134638929 -0.000056426254  0.000018160946
  0.000494097675 -0.000207369523  0.000067476867
  0.001772102081 -0.000746172262  0.000240187326
  0.006229496672 -0.002634963332  0.000860032047
  0.020482189983 -0.008758900596  0.002822277788
  0.059545026332 -0.025967027413  0.008522585011
  0.145105824435 -0.065598711471  0.021275394531
  0.272109517586 -0.128903904660  0.043035330161
  0.350139193143 -0.175066209856  0.057029734671
  0.250933194028 -0.082485320773  0.026938546655
  0.076706188700  0.202320756902 -0.092027417113
  0.007093426420  0.457106942553 -0.187690457249
  0.000918741800  0.378085731754 -0.217314636775
 -0.000030726399  0.105841077449  0.123157538900
  0.000040455660  0.005855753091  0.431109576617
 -0.000018514127  0.000866888347  0.565436502235
 -0.000003049431 -0.000294878940  0.050137532004
   12    1   10
  10.70088969
  1460.378000      408.2088000      153.6123000      66.61394000
  31.20552000      15.42524000      7.808983000      4.001703000
  2.049472000      1.010408000     0.4266102000     0.3612143000
  0.000207525566
  0.001941277345
  0.011063235742
  0.042892916162
  0.119961383065
  0.237079222898
  0.326276796150
  0.310273903141
  0.176716927680
  0.046721773866
  0.004268646913
 -0.001087438232
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Sr.ECP.DeJong.23s19p.1s1p.0e-AIMP-SrB4O7-Sr.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of Sr(2+) in SrB4O7 with orthogonality orbitals
   2.000    1
   23    1
  1356926000.      141892800.0      22561580.00      4799192.000
  1219783.000      353526.8000      113622.0000      39972.54000
  15034.94000      5926.680000      2407.021000      1006.711000
  433.0884000      190.2821000      83.26883000      37.21683000
  16.95688000      6.032933000      2.731918000     0.7281678000
 0.3242768000     0.5551481000E-01 0.2320024000E-01
   0.000000036040
  -0.000000140399
  -0.000005298035
  -0.000012614320
  -0.000028545420
  -0.000077110287
  -0.000160017593
  -0.000379671806
  -0.000874817336
  -0.002131194458
  -0.005312772378
  -0.012487690420
  -0.025683013904
  -0.035248008849
   0.002991899141
   0.160229394759
   0.196546960624
  -0.317973981095
  -0.605612836504
   0.628781355864
   0.659914610982
  -0.001116386002
  -0.007351075624
   19    1
  1354707.000      200274.8000      45452.31000      13185.88000
  4532.657000      1769.612000      753.3427000      343.2786000
  164.5665000      81.88608000      41.99079000      21.99829000
  11.53409000      5.985240000      3.115460000      1.591150000
 0.7655080000     0.3526135000     0.1471390000
   0.000000326593
   0.000005408596
   0.000018160946
   0.000067476867
   0.000240187326
   0.000860032047
   0.002822277788
   0.008522585011
   0.021275394531
   0.043035330161
   0.057029734671
   0.026938546655
  -0.092027417113
  -0.187690457249
  -0.217314636775
   0.123157538900
   0.431109576617
   0.565436502235
   0.050137532004
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
* Orbital collapse correction: B4p*1.5
*
M1
   15
  519480.0000      103377.0000      29385.00000      9428.600000
  3331.100000      1271.030000      497.7000000      192.5800000
  87.15700000      39.89200000      14.45690000      7.361200000
  2.279880000     0.9661500000     0.4848200000
 0.1246951487     0.1203066094     0.2044410295     0.3372163958
 0.5313002719     0.7344986570     0.8497632487      1.367032964
  2.172600514      1.155895918      3.116162427      3.530093097
  1.165266114      2.217365179     0.3733624264
M2
    0
COREREP
   1.000
PROJOP
    2
   23    4    2    2    2    2
  1189.738307      165.7153946      27.42759728      3.411758248
  1356926000.      141892800.0      22561580.00      4799192.000
  1219783.000      353526.8000      113622.0000      39972.54000
  15034.94000      5926.680000      2407.021000      1006.711000
  433.0884000      190.2821000      83.26883000      37.21683000
  16.95688000      6.032933000      2.731918000     0.7281678000
 0.3242768000     0.5551481000E-01 0.2320024000E-01
 -0.000000340651  0.000000181950 -0.000000008149  0.000000036040
  0.000001034686 -0.000000663016  0.000000108859 -0.000000140399
  0.000117462180 -0.000037273402 -0.000016614867 -0.000005298035
  0.000244112556 -0.000083183164 -0.000030226861 -0.000012614320
  0.000643593916 -0.000202678674 -0.000092676137 -0.000028545420
  0.001505292436 -0.000510605412 -0.000190195181 -0.000077110287
  0.003442507457 -0.001116595221 -0.000478499151 -0.000160017593
  0.007764302751 -0.002590811566 -0.001045467504 -0.000379671806
  0.017891929039 -0.005974229665 -0.002478635255 -0.000874817336
  0.042507690752 -0.014587804436 -0.005973607211 -0.002131194458
  0.100764156203 -0.035796918350 -0.014953566786 -0.005312772378
  0.214675235736 -0.083955464807 -0.034936234511 -0.012487690420
  0.352302019486 -0.164658179874 -0.071862836607 -0.025683013904
  0.328063936573 -0.218173511992 -0.097004733023 -0.035248008849
  0.097408305277  0.020711814235  0.006717517527  0.002991899141
 -0.000362403301  0.571379625740  0.414249148707  0.160229394759
  0.001729106163  0.500447128026  0.466158924625  0.196546960624
 -0.000783057905  0.057812051502 -0.575040203921 -0.317973981095
  0.000349519066 -0.008345506603 -0.705899499886 -0.605612836504
 -0.000133753433  0.002594412038 -0.051340134789  0.628781355864
  0.000070827466 -0.001337256791  0.012425075055  0.659914610982
 -0.000019651248  0.000351202054 -0.002616466313 -0.001116386002
  0.000009449632 -0.000172134816  0.001332807897 -0.007351075624
   19    3    6    6    6
  146.8277475      21.13369785      2.55
  1354707.000      200274.8000      45452.31000      13185.88000
  4532.657000      1769.612000      753.3427000      343.2786000
  164.5665000      81.88608000      41.99079000      21.99829000
  11.53409000      5.985240000      3.115460000      1.591150000
 0.7655080000     0.3526135000     0.1471390000
  0.000004183177 -0.000001718007  0.000000326593
  0.000039200961 -0.000016423035  0.000005408596
  0.000134638929 -0.000056426254  0.000018160946
  0.000494097675 -0.000207369523  0.000067476867
  0.001772102081 -0.000746172262  0.000240187326
  0.006229496672 -0.002634963332  0.000860032047
  0.020482189983 -0.008758900596  0.002822277788
  0.059545026332 -0.025967027413  0.008522585011
  0.145105824435 -0.065598711471  0.021275394531
  0.272109517586 -0.128903904660  0.043035330161
  0.350139193143 -0.175066209856  0.057029734671
  0.250933194028 -0.082485320773  0.026938546655
  0.076706188700  0.202320756902 -0.092027417113
  0.007093426420  0.457106942553 -0.187690457249
  0.000918741800  0.378085731754 -0.217314636775
 -0.000030726399  0.105841077449  0.123157538900
  0.000040455660  0.005855753091  0.431109576617
 -0.000018514127  0.000866888347  0.565436502235
 -0.000003049431 -0.000294878940  0.050137532004
   12    1   10
  10.70088969
  1460.378000      408.2088000      153.6123000      66.61394000
  31.20552000      15.42524000      7.808983000      4.001703000
  2.049472000      1.010408000     0.4266102000     0.3612143000
  0.000207525566
  0.001941277345
  0.011063235742
  0.042892916162
  0.119961383065
  0.237079222898
  0.326276796150
  0.310273903141
  0.176716927680
  0.046721773866
  0.004268646913
 -0.001087438232
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/B.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-B1.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of B1(3+) in SrB4O7
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
    9
  263394.0000      29964.40000      5445.110000      1207.001000
  312.1720000      92.86440000      31.34920000      11.82511000
  4.809730000
 0.6107086726E-02 0.9360784562E-02 0.1916673393E-01 0.3691456975E-01
 0.6819349982E-01 0.1221492159     0.1885624681     0.1718095773
 0.4440273050E-01
M2
    0
COREREP
   1.000
PROJOP
    0
   12    1    2
  15.84392109
  1348056.000      12257.85000      1806.641000      406.4760000
  113.9908000      36.85024000      13.11091000      4.964987000
  1.936521000     0.5037751000     0.2060732000     0.7888486000E-01
  0.000006263549
  0.000280330631
  0.001719038600
  0.008713734635
  0.035226984238
  0.113844246389
  0.273589818359
  0.429103263688
  0.277361188835
  0.030019312736
 -0.023144281486
  0.001374587134
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/B.ECP.DeJong.12s.1s.0e-AIMP-SrB4O7-B1.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of B1(3+) in SrB4O7 with orthogonality orbitals
   3.000    0
   12    1
  1348056.000      12257.85000      1806.641000      406.4760000
  113.9908000      36.85024000      13.11091000      4.964987000
  1.936521000     0.5037751000     0.2060732000     0.7888486000E-01
  0.000006263549
  0.000280330631
  0.001719038600
  0.008713734635
  0.035226984238
  0.113844246389
  0.273589818359
  0.429103263688
  0.277361188835
  0.030019312736
 -0.023144281486
  0.001374587134
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
    9
  263394.0000      29964.40000      5445.110000      1207.001000
  312.1720000      92.86440000      31.34920000      11.82511000
  4.809730000
 0.6107086726E-02 0.9360784562E-02 0.1916673393E-01 0.3691456975E-01
 0.6819349982E-01 0.1221492159     0.1885624681     0.1718095773
 0.4440273050E-01
M2
    0
COREREP
   1.000
PROJOP
    0
   12    1    2
  15.84392109
  1348056.000      12257.85000      1806.641000      406.4760000
  113.9908000      36.85024000      13.11091000      4.964987000
  1.936521000     0.5037751000     0.2060732000     0.7888486000E-01
  0.000006263549
  0.000280330631
  0.001719038600
  0.008713734635
  0.035226984238
  0.113844246389
  0.273589818359
  0.429103263688
  0.277361188835
  0.030019312736
 -0.023144281486
  0.001374587134
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/B.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-B2.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of B2(3+) in SrB4O7
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
    9
  263784.0000      30022.40000      5460.110000      1210.601000
  313.2720000      93.21440000      31.45920000      11.86811000
  4.829730000
 0.6101995417E-02 0.9347413900E-02 0.1913407030E-01 0.3684929929E-01
 0.6802697481E-01 0.1218982136     0.1883503971     0.1720593717
 0.4489893058E-01
M2
    0
COREREP
   1.000
PROJOP
    0
   12    1    2
  16.05259647
  1348056.000      12257.85000      1806.641000      406.4760000
  113.9908000      36.85024000      13.11091000      4.964987000
  1.936521000     0.5037751000     0.2060732000     0.7888486000E-01
  0.000006263253
  0.000280320849
  0.001719003707
  0.008713342510
  0.035226558155
  0.113837094804
  0.273586915151
  0.429015729556
  0.277560466156
  0.030043903710
 -0.024037309706
  0.002519530128
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/B.ECP.DeJong.12s.1s.0e-AIMP-SrB4O7-B2.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of B2(3+) in SrB4O7 with orthogonality orbitals
   3.000    0
   12    1
  1348056.000      12257.85000      1806.641000      406.4760000
  113.9908000      36.85024000      13.11091000      4.964987000
  1.936521000     0.5037751000     0.2060732000     0.7888486000E-01
  0.000006263253
  0.000280320849
  0.001719003707
  0.008713342510
  0.035226558155
  0.113837094804
  0.273586915151
  0.429015729556
  0.277560466156
  0.030043903710
 -0.024037309706
  0.002519530128
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
    9
  263784.0000      30022.40000      5460.110000      1210.601000
  313.2720000      93.21440000      31.45920000      11.86811000
  4.829730000
 0.6101995417E-02 0.9347413900E-02 0.1913407030E-01 0.3684929929E-01
 0.6802697481E-01 0.1218982136     0.1883503971     0.1720593717
 0.4489893058E-01
M2
    0
COREREP
   1.000
PROJOP
    0
   12    1    2
  16.05259647
  1348056.000      12257.85000      1806.641000      406.4760000
  113.9908000      36.85024000      13.11091000      4.964987000
  1.936521000     0.5037751000     0.2060732000     0.7888486000E-01
  0.000006263253
  0.000280320849
  0.001719003707
  0.008713342510
  0.035226558155
  0.113837094804
  0.273586915151
  0.429015729556
  0.277560466156
  0.030043903710
 -0.024037309706
  0.002519530128
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O1.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of O1(2-) in SrB4O7
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  278045.8300      33327.01200      6331.173000      1502.826000
  427.2773300      137.8270000      49.14361900      17.95833000
  5.901836000      2.266421600     0.8851500000     0.1592420000
 -.2277772249E-01 -.3358460274E-01 -.6693687475E-01 -.1210352146
 -.2116003998     -.3552643974     -.4851648826     -.4499787163
 -.6311666223     -1.182285478     -1.432826343     -.7378746211E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   12    2    2    2
  40.50862789      2.291666081
  109234.9000      15421.33000      3272.828000      870.1072000
  268.2706000      91.49282000      33.61740000      13.04648000
  5.203523000      1.477429000     0.5777521000     0.2126743000
  0.000121606823  0.000025790459
  0.000539596480  0.000116888043
  0.002449787661  0.000510113599
  0.010259588825  0.002279755662
  0.037778369069  0.007873481693
  0.116520895256  0.027851315816
  0.277222892987  0.064018574635
  0.421102183089  0.150388575828
  0.268138365557  0.101993573791
  0.025080215122 -0.127984305204
 -0.003981363790 -0.692069171013
  0.001558493776 -0.289630326903
    8    1    6
 0.7912532234
  366.4067000      66.27956000      18.74558000      6.426860000
  2.444513000     0.9577170000     0.3688401000     0.1364496000
  0.000382420947
  0.004391484059
  0.025481230003
  0.087861700473
  0.231254956778
  0.296045982555
  0.643139904469
 -0.131568781919
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O2.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of O2(2-) in SrB4O7
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  273855.8300      32412.01200      6104.573000      1442.426000
  409.1373300      132.0670000      47.04461900      17.04233000
  5.561736000      2.200921600     0.8314400000     0.1679020000
 -.2286739638E-01 -.3403344207E-01 -.6802117045E-01 -.1231647298
 -.2155104301     -.3606653028     -.4867753515     -.4443759772
 -.6448004219     -1.143325190     -1.450996262     -.5464326513E-02
M2
    0
COREREP
   1.000
PROJOP
    1
   12    2    2    2
  40.49801944      2.218354121
  109234.9000      15421.33000      3272.828000      870.1072000
  268.2706000      91.49282000      33.61740000      13.04648000
  5.203523000      1.477429000     0.5777521000     0.2126743000
  0.000121626364  0.000025511137
  0.000539685580  0.000115367441
  0.002450171232  0.000505755680
  0.010261342270  0.002245467464
  0.037784264684  0.007823218621
  0.116542673914  0.027377765564
  0.277272655364  0.063866124399
  0.421270860532  0.147068858314
  0.268064579571  0.105123510686
  0.024741491855 -0.149533491723
 -0.003922891382 -0.622161783152
  0.001495930003 -0.347580932857
    8    1    6
 0.6956896395
  366.4067000      66.27956000      18.74558000      6.426860000
  2.444513000     0.9577170000     0.3688401000     0.1364496000
  0.000389476079
  0.004139669056
  0.026150665249
  0.081295940321
  0.245080046397
  0.246679482419
  0.675722935772
 -0.110149758880
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O3.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of O3(2-) in SrB4O7
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  240485.8300      33230.01200      5789.473000      1203.126000
  311.7073300      93.81700000      31.05261900      9.134330000
  2.911036000     0.7393216000     0.7420900000     0.7366720000
 -.2339439595E-01 -.3208708894E-01 -.7562751557E-01 -.1444859452
 -.2648306826     -.4442696624     -.5346512795     -.6112744118
 -1.062246088     -10465.98453      5182.277067      5281.900328
M2
    0
COREREP
   1.000
PROJOP
    1
   12    2    2    2
  40.79744670      2.526497002
  109234.9000      15421.33000      3272.828000      870.1072000
  268.2706000      91.49282000      33.61740000      13.04648000
  5.203523000      1.477429000     0.5777521000     0.2126743000
  0.000121618455  0.000025606687
  0.000539651261  0.000115971011
  0.002450008661  0.000506889784
  0.010260700674  0.002260199762
  0.037781730892  0.007830075663
  0.116535848867  0.027593208727
  0.277250352264  0.063769158285
  0.421203016421  0.148709473615
  0.268077667342  0.103080582323
  0.024931273791 -0.139446038475
 -0.004030213000 -0.651097869092
  0.001602176405 -0.324446283041
    8    1    6
  1.047082760
  366.4067000      66.27956000      18.74558000      6.426860000
  2.444513000     0.9577170000     0.3688401000     0.1364496000
  0.000669904503
  0.007216961502
  0.044918443481
  0.142082009499
  0.418947352428
 -0.436125476046
  1.188378487920
 -0.152222661004
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.DeJong.0s.0s.0e-AIMP-SrB4O7-O4.
M.DeJong et al., J.Phys.Chem. C, 119(2014)9696.
Embedding AIMP of O4(2-) in SrB4O7
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  273565.8300      32348.01200      6088.973000      1438.026000
  407.1373300      131.0770000      46.65161900      16.87633000
  5.493236000      2.129821600     0.8311100000     0.4297520000
 -.2238662185E-01 -.3334107512E-01 -.6665570446E-01 -.1208253881
 -.2122351516     -.3557085563     -.4767509976     -.4232837319
 -.6006439638     -1.091763078     -1.296623774     -.2997819569
M2
    0
COREREP
   1.000
PROJOP
    1
   12    2    2    2
  40.44094598      2.252795696
  109234.9000      15421.33000      3272.828000      870.1072000
  268.2706000      91.49282000      33.61740000      13.04648000
  5.203523000      1.477429000     0.5777521000     0.2126743000
  0.000121611557  0.000025642460
  0.000539618100  0.000116338784
  0.002449880903  0.000506627581
  0.010260017176  0.002271265258
  0.037779872113  0.007811453522
  0.116526934363  0.027772961036
  0.277235909372  0.063394883527
  0.421133432155  0.150259755788
  0.268122938843  0.099717016700
  0.025018685272 -0.122474775608
 -0.004003549693 -0.687781358094
  0.001583803765 -0.298138221809
    8    1    6
 0.6843685386
  366.4067000      66.27956000      18.74558000      6.426860000
  2.444513000     0.9577170000     0.3688401000     0.1364496000
  0.000340703718
  0.003761958464
  0.022794634531
  0.074611030463
  0.210225441607
  0.240186538177
  0.582542450316
  0.094961113288
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.5.6. Lu2O3
********************************************************************************
*           E.5.6.a. Lu2O3
*             Structure:
*                    Wyckoff
*                    Marsella, PRB 69 172103
*                    No. 206: Ia3 cubic.
*                    a=10.391 A (Wyckoff)
*                    u=-0.0330, x(O)=0.3912, y(O)=0.1521, z(O)=0.3800 (Marsella)
*             Embedding potentials:
*                    J.L.Pascual, Z.Barandiaran, L.Seijo
*                    Theor.Chem.Acc., 129(2011)545
*                    Out of SCEI HF calculations
*             /Lu.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3-Lu(1).
*             /Lu.ECP.Pascual.14s10p.1s1p.0e-AIMP-Lu2O3-Lu(1).
*             /Lu.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3-Lu(2).
*             /Lu.ECP.Pascual.14s10p.1s1p.0e-AIMP-Lu2O3-Lu(2).
*             /O.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3.
********************************************************************************
/Lu.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3-Lu(1).
J.L.Pascual, Z.Barandiaran, L.Seijo   Theor.Chem.Acc., 129(2011)545
Embedding potential of Lu3+(1) in Lu2O3
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  504820.0000      99568.00000      29117.00000      9427.700000
  3316.600000      1127.530000      430.6300000      168.7300000
  67.23500000      39.73900000      11.13820000      5.824600000
  2.154380000      1.049800000     0.4933800000
 0.2113819595     0.2059412361     0.3374076975     0.5495835448
 0.7451283481      1.015513143      2.196628908      1.080480230
  3.918346006      1.296348146      4.585697704      3.013738602
  1.994909473      1.470530401     0.4503126659E-01
M2
    0
COREREP
   1.000
PROJOP
    3
   14    5    2    2    2    2    2
  4692.520300      808.8252000      187.4765300      39.46379000
  4.001359382
  3354445.510      246653.3820      31974.99940      5529.100700
  1291.882350      144.9151520      80.54837370      22.67860910
  4.769549340      2.553302470     0.8990482590     0.4016909380
 0.8082079810E-01 0.3158420800E-01
  0.002672954131  0.000866361953  0.000367468315  0.000188712090  0.000082113078
  0.012140448712  0.005557662389  0.002863448713  0.001341233029  0.000552594964
  0.086762814740  0.031467463396  0.014087982807  0.007069941392  0.002983677108
  0.281470400063  0.135095368641  0.068241293770  0.032736637997  0.014702131238
  0.674468548767  0.329693761299  0.158626444872  0.079684686933  0.031209487653
  0.310516235671 -0.566911763017 -0.552530433787 -0.339591094258 -0.136902525272
 -0.245886517627 -0.468743496927 -0.386048219487 -0.183850674539 -0.073263929878
  0.072606374921 -0.067329537032  1.168957599672  1.198347803031  0.553509791376
 -0.052501922965  0.034884944821  0.314031891027 -1.013873968315 -0.851766646681
  0.044950962018 -0.032518715938 -0.208075721631 -0.309107381894 -0.249095408987
 -0.021531310520  0.014263384428  0.081360649463 -0.028821746783  0.822993975583
  0.009808147749 -0.006424857533 -0.035540019625  0.006720741208  0.555021062610
 -0.002597387213  0.001691749322  0.009168857192 -0.001427032666 -0.066120801254
  0.001113619814 -0.000724768694 -0.003916673102  0.000595628138  0.023002451554
   10    4    6    6    6    6
  712.9569500      158.0526600      29.59604500      1.445813326
  3625.757420      791.4810730      237.4711550      34.76965740
  15.75068480      7.901359020      4.043061080      1.122074810
 0.5150511750     0.2109350100
  0.054644944585  0.022220431587  0.009742327232 -0.002530895582
  0.157196142067  0.110949701357  0.058094864175 -0.021834324165
  0.742759465984  0.360180827195  0.167724173198 -0.060247951291
  0.464701257446 -0.591216899695 -0.518780097826  0.196698171551
 -0.455335776617 -0.471973290333 -0.172075010942  0.072678587751
  0.344621679936  0.020010180518  0.464361533956 -0.290717910289
 -0.152294013262 -0.028312418531  0.663617126738 -0.297707716486
  0.051432660938  0.008852229642  0.113208020162  0.428139052222
 -0.032720545704 -0.005549092750 -0.041054869995  0.677170225669
  0.009913919240  0.001682113724  0.010917079891  0.030527875470
   10    2   10   10
  121.8638700      16.34390500
  1080.000000      335.4000000      134.5000000      60.82000000
  29.45000000      14.72000000      7.435000000      3.739000000
  1.830000000     0.7886000000
  0.008528807731  0.004179960922
  0.055794033204  0.027743557144
  0.192289000704  0.097617294508
  0.376014201377  0.189653330987
  0.391076911432  0.155048990807
  0.170345400624 -0.157524120820
  0.023007279084 -0.451092072347
  0.001127887304 -0.397120602066
 -0.000101596250 -0.147997200770
  0.000061458290 -0.016220507084
    8    1   14
 0.2764271380
  226.9636970      77.48624590      31.90399690      14.28171460
  6.496450530      2.877971000      1.192992910     0.4337076390
 -0.004324952508
 -0.031204925824
 -0.115698404315
 -0.258092325999
 -0.357671297619
 -0.341829628023
 -0.230647163694
 -0.084334666643
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Lu.ECP.Pascual.14s10p.1s1p.0e-AIMP-Lu2O3-Lu(1).
J.L.Pascual, Z.Barandiaran, L.Seijo   Theor.Chem.Acc., 129(2011)545
Embedding potential of Lu3+(1) in Lu2O3 with orthogonality orbitals
   3.000    1
   14    1
  3354445.510      246653.3820      31974.99940      5529.100700
  1291.882350      144.9151520      80.54837370      22.67860910
  4.769549340      2.553302470     0.8990482590     0.4016909380
 0.8082079810E-01 0.3158420800E-01
   0.000082113078
   0.000552594964
   0.002983677108
   0.014702131238
   0.031209487653
  -0.136902525272
  -0.073263929878
   0.553509791376
  -0.851766646681
  -0.249095408987
   0.822993975583
   0.555021062610
  -0.066120801254
   0.023002451554
   10    1
  3625.757420      791.4810730      237.4711550      34.76965740
  15.75068480      7.901359020      4.043061080      1.122074810
 0.5150511750     0.2109350100
  -0.002530895582
  -0.021834324165
  -0.060247951291
   0.196698171551
   0.072678587751
  -0.290717910289
  -0.297707716486
   0.428139052222
   0.677170225669
   0.030527875470
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  504820.0000      99568.00000      29117.00000      9427.700000
  3316.600000      1127.530000      430.6300000      168.7300000
  67.23500000      39.73900000      11.13820000      5.824600000
  2.154380000      1.049800000     0.4933800000
 0.2113819595     0.2059412361     0.3374076975     0.5495835448
 0.7451283481      1.015513143      2.196628908      1.080480230
  3.918346006      1.296348146      4.585697704      3.013738602
  1.994909473      1.470530401     0.4503126659E-01
M2
    0
COREREP
   1.000
PROJOP
    3
   14    5    2    2    2    2    2
  4692.520300      808.8252000      187.4765300      39.46379000
  4.001359382
  3354445.510      246653.3820      31974.99940      5529.100700
  1291.882350      144.9151520      80.54837370      22.67860910
  4.769549340      2.553302470     0.8990482590     0.4016909380
 0.8082079810E-01 0.3158420800E-01
  0.002672954131  0.000866361953  0.000367468315  0.000188712090  0.000082113078
  0.012140448712  0.005557662389  0.002863448713  0.001341233029  0.000552594964
  0.086762814740  0.031467463396  0.014087982807  0.007069941392  0.002983677108
  0.281470400063  0.135095368641  0.068241293770  0.032736637997  0.014702131238
  0.674468548767  0.329693761299  0.158626444872  0.079684686933  0.031209487653
  0.310516235671 -0.566911763017 -0.552530433787 -0.339591094258 -0.136902525272
 -0.245886517627 -0.468743496927 -0.386048219487 -0.183850674539 -0.073263929878
  0.072606374921 -0.067329537032  1.168957599672  1.198347803031  0.553509791376
 -0.052501922965  0.034884944821  0.314031891027 -1.013873968315 -0.851766646681
  0.044950962018 -0.032518715938 -0.208075721631 -0.309107381894 -0.249095408987
 -0.021531310520  0.014263384428  0.081360649463 -0.028821746783  0.822993975583
  0.009808147749 -0.006424857533 -0.035540019625  0.006720741208  0.555021062610
 -0.002597387213  0.001691749322  0.009168857192 -0.001427032666 -0.066120801254
  0.001113619814 -0.000724768694 -0.003916673102  0.000595628138  0.023002451554
   10    4    6    6    6    6
  712.9569500      158.0526600      29.59604500      1.445813326
  3625.757420      791.4810730      237.4711550      34.76965740
  15.75068480      7.901359020      4.043061080      1.122074810
 0.5150511750     0.2109350100
  0.054644944585  0.022220431587  0.009742327232 -0.002530895582
  0.157196142067  0.110949701357  0.058094864175 -0.021834324165
  0.742759465984  0.360180827195  0.167724173198 -0.060247951291
  0.464701257446 -0.591216899695 -0.518780097826  0.196698171551
 -0.455335776617 -0.471973290333 -0.172075010942  0.072678587751
  0.344621679936  0.020010180518  0.464361533956 -0.290717910289
 -0.152294013262 -0.028312418531  0.663617126738 -0.297707716486
  0.051432660938  0.008852229642  0.113208020162  0.428139052222
 -0.032720545704 -0.005549092750 -0.041054869995  0.677170225669
  0.009913919240  0.001682113724  0.010917079891  0.030527875470
   10    2   10   10
  121.8638700      16.34390500
  1080.000000      335.4000000      134.5000000      60.82000000
  29.45000000      14.72000000      7.435000000      3.739000000
  1.830000000     0.7886000000
  0.008528807731  0.004179960922
  0.055794033204  0.027743557144
  0.192289000704  0.097617294508
  0.376014201377  0.189653330987
  0.391076911432  0.155048990807
  0.170345400624 -0.157524120820
  0.023007279084 -0.451092072347
  0.001127887304 -0.397120602066
 -0.000101596250 -0.147997200770
  0.000061458290 -0.016220507084
    8    1   14
 0.2764271380
  226.9636970      77.48624590      31.90399690      14.28171460
  6.496450530      2.877971000      1.192992910     0.4337076390
 -0.004324952508
 -0.031204925824
 -0.115698404315
 -0.258092325999
 -0.357671297619
 -0.341829628023
 -0.230647163694
 -0.084334666643
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Lu.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3-Lu(2).
J.L.Pascual, Z.Barandiaran, L.Seijo   Theor.Chem.Acc., 129(2011)545
Embedding potential of Lu3+(2) in Lu2O3
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  506320.0000      99548.00000      29097.00000      9429.100000
  3316.800000      1127.890000      430.9300000      169.1600000
  67.37000000      39.94800000      11.15170000      5.840400000
  2.160480000      1.054000000     0.5004300000
 0.2113084518     0.2063096423     0.3375239720     0.5492674316
 0.7459989183      1.014383064      2.197616644      1.075403328
  3.915854232      1.299757281      4.610406925      2.980085097
  2.041084286      1.477038160     0.4629232562E-02
M2
    0
COREREP
   1.000
PROJOP
    3
   14    5    2    2    2    2    2
  4692.520300      808.8252000      187.4765300      39.46379000
  4.223373153
  3354445.510      246653.3820      31974.99940      5529.100700
  1291.882350      144.9151520      80.54837370      22.67860910
  4.769549340      2.553302470     0.8990482590     0.4016909380
 0.8082079810E-01 0.3158420800E-01
  0.002672954131  0.000866361953  0.000367468315  0.000188712090  0.000082130566
  0.012140448712  0.005557662389  0.002863448713  0.001341233029  0.000552712647
  0.086762814740  0.031467463396  0.014087982807  0.007069941392  0.002984312525
  0.281470400063  0.135095368641  0.068241293770  0.032736637997  0.014705262270
  0.674468548767  0.329693761299  0.158626444872  0.079684686933  0.031216134165
  0.310516235671 -0.566911763017 -0.552530433787 -0.339591094258 -0.136931680647
 -0.245886517627 -0.468743496927 -0.386048219487 -0.183850674539 -0.073279532492
  0.072606374921 -0.067329537032  1.168957599672  1.198347803031  0.553627669298
 -0.052501922965  0.034884944821  0.314031891027 -1.013873968315 -0.852165781365
  0.044950962018 -0.032518715938 -0.208075721631 -0.309107381894 -0.248591562290
 -0.021531310520  0.014263384428  0.081360649463 -0.028821746783  0.822633270436
  0.009808147749 -0.006424857533 -0.035540019625  0.006720741208  0.555235108159
 -0.002597387213  0.001691749322  0.009168857192 -0.001427032666 -0.065995898772
  0.001113619814 -0.000724768694 -0.003916673102  0.000595628138  0.022634933912
   10    4    6    6    6    6
  712.9569500      158.0526600      29.59604500      1.665187966
  3625.757420      791.4810730      237.4711550      34.76965740
  15.75068480      7.901359020      4.043061080      1.122074810
 0.5150511750     0.2109350100
  0.054644944585  0.022220431587  0.009742327232  0.002639360767
  0.157196142067  0.110949701357  0.058094864175  0.022770065659
  0.742759465984  0.360180827195  0.167724173198  0.062829964251
  0.464701257446 -0.591216899695 -0.518780097826 -0.205127955753
 -0.455335776617 -0.471973290333 -0.172075010942 -0.075793333588
  0.344621679936  0.020010180518  0.464361533956  0.303177046174
 -0.152294013262 -0.028312418531  0.663617126738  0.310563856096
  0.051432660938  0.008852229642  0.113208020162 -0.447825863437
 -0.032720545704 -0.005549092750 -0.041054869995 -0.702273736696
  0.009913919240  0.001682113724  0.010917079891  0.026257172596
   10    2   10   10
  121.8638700      16.34390500
  1080.000000      335.4000000      134.5000000      60.82000000
  29.45000000      14.72000000      7.435000000      3.739000000
  1.830000000     0.7886000000
  0.008528807731  0.004179960922
  0.055794033204  0.027743557144
  0.192289000704  0.097617294508
  0.376014201377  0.189653330987
  0.391076911432  0.155048990807
  0.170345400624 -0.157524120820
  0.023007279084 -0.451092072347
  0.001127887304 -0.397120602066
 -0.000101596250 -0.147997200770
  0.000061458290 -0.016220507084
    8    1   14
 0.4997845869
  226.9636970      77.48624590      31.90399690      14.28171460
  6.496450530      2.877971000      1.192992910     0.4337076390
 -0.004325377271
 -0.031207990531
 -0.115709767321
 -0.258117673839
 -0.357706425339
 -0.341886108589
 -0.230300447086
 -0.084705583827
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Lu.ECP.Pascual.14s10p.1s1p.0e-AIMP-Lu2O3-Lu(2).
J.L.Pascual, Z.Barandiaran, L.Seijo   Theor.Chem.Acc., 129(2011)545
Embedding potential of Lu3+(2) in Lu2O3 with orthogonality orbitals
   3.000    1
   14    1
  3354445.510      246653.3820      31974.99940      5529.100700
  1291.882350      144.9151520      80.54837370      22.67860910
  4.769549340      2.553302470     0.8990482590     0.4016909380
 0.8082079810E-01 0.3158420800E-01
   0.000082130566
   0.000552712647
   0.002984312525
   0.014705262270
   0.031216134165
  -0.136931680647
  -0.073279532492
   0.553627669298
  -0.852165781365
  -0.248591562290
   0.822633270436
   0.555235108159
  -0.065995898772
   0.022634933912
   10    1
  3625.757420      791.4810730      237.4711550      34.76965740
  15.75068480      7.901359020      4.043061080      1.122074810
 0.5150511750     0.2109350100
   0.002639360767
   0.022770065659
   0.062829964251
  -0.205127955753
  -0.075793333588
   0.303177046174
   0.310563856096
  -0.447825863437
  -0.702273736696
   0.026257172596
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  506320.0000      99548.00000      29097.00000      9429.100000
  3316.800000      1127.890000      430.9300000      169.1600000
  67.37000000      39.94800000      11.15170000      5.840400000
  2.160480000      1.054000000     0.5004300000
 0.2113084518     0.2063096423     0.3375239720     0.5492674316
 0.7459989183      1.014383064      2.197616644      1.075403328
  3.915854232      1.299757281      4.610406925      2.980085097
  2.041084286      1.477038160     0.4629232562E-02
M2
    0
COREREP
   1.000
PROJOP
    3
   14    5    2    2    2    2    2
  4692.520300      808.8252000      187.4765300      39.46379000
  4.223373153
  3354445.510      246653.3820      31974.99940      5529.100700
  1291.882350      144.9151520      80.54837370      22.67860910
  4.769549340      2.553302470     0.8990482590     0.4016909380
 0.8082079810E-01 0.3158420800E-01
  0.002672954131  0.000866361953  0.000367468315  0.000188712090  0.000082130566
  0.012140448712  0.005557662389  0.002863448713  0.001341233029  0.000552712647
  0.086762814740  0.031467463396  0.014087982807  0.007069941392  0.002984312525
  0.281470400063  0.135095368641  0.068241293770  0.032736637997  0.014705262270
  0.674468548767  0.329693761299  0.158626444872  0.079684686933  0.031216134165
  0.310516235671 -0.566911763017 -0.552530433787 -0.339591094258 -0.136931680647
 -0.245886517627 -0.468743496927 -0.386048219487 -0.183850674539 -0.073279532492
  0.072606374921 -0.067329537032  1.168957599672  1.198347803031  0.553627669298
 -0.052501922965  0.034884944821  0.314031891027 -1.013873968315 -0.852165781365
  0.044950962018 -0.032518715938 -0.208075721631 -0.309107381894 -0.248591562290
 -0.021531310520  0.014263384428  0.081360649463 -0.028821746783  0.822633270436
  0.009808147749 -0.006424857533 -0.035540019625  0.006720741208  0.555235108159
 -0.002597387213  0.001691749322  0.009168857192 -0.001427032666 -0.065995898772
  0.001113619814 -0.000724768694 -0.003916673102  0.000595628138  0.022634933912
   10    4    6    6    6    6
  712.9569500      158.0526600      29.59604500      1.665187966
  3625.757420      791.4810730      237.4711550      34.76965740
  15.75068480      7.901359020      4.043061080      1.122074810
 0.5150511750     0.2109350100
  0.054644944585  0.022220431587  0.009742327232  0.002639360767
  0.157196142067  0.110949701357  0.058094864175  0.022770065659
  0.742759465984  0.360180827195  0.167724173198  0.062829964251
  0.464701257446 -0.591216899695 -0.518780097826 -0.205127955753
 -0.455335776617 -0.471973290333 -0.172075010942 -0.075793333588
  0.344621679936  0.020010180518  0.464361533956  0.303177046174
 -0.152294013262 -0.028312418531  0.663617126738  0.310563856096
  0.051432660938  0.008852229642  0.113208020162 -0.447825863437
 -0.032720545704 -0.005549092750 -0.041054869995 -0.702273736696
  0.009913919240  0.001682113724  0.010917079891  0.026257172596
   10    2   10   10
  121.8638700      16.34390500
  1080.000000      335.4000000      134.5000000      60.82000000
  29.45000000      14.72000000      7.435000000      3.739000000
  1.830000000     0.7886000000
  0.008528807731  0.004179960922
  0.055794033204  0.027743557144
  0.192289000704  0.097617294508
  0.376014201377  0.189653330987
  0.391076911432  0.155048990807
  0.170345400624 -0.157524120820
  0.023007279084 -0.451092072347
  0.001127887304 -0.397120602066
 -0.000101596250 -0.147997200770
  0.000061458290 -0.016220507084
    8    1   14
 0.4997845869
  226.9636970      77.48624590      31.90399690      14.28171460
  6.496450530      2.877971000      1.192992910     0.4337076390
 -0.004325377271
 -0.031207990531
 -0.115709767321
 -0.258117673839
 -0.357706425339
 -0.341886108589
 -0.230300447086
 -0.084705583827
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Pascual.0s.0s.0e-AIMP-Lu2O3.
J.L.Pascual, Z.Barandiaran, L.Seijo   Theor.Chem.Acc., 129(2011)545
Embedding potential of O2- in Lu2O3
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  190177.3820      16420.18140      2559.561840      553.0920500
  146.4736690      45.05802900      13.88444790      3.979139700
  1.451139770     0.5147779800     0.7387940000E-01
 -.2876454546E-01 -.5284736852E-01 -.1119173755     -.2099917095
 -.3893870187     -.5341630666     -.4896020708     -.8297815330
 -1.328344123     -1.021434047     -.3767141842E-02
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  41.17038822      2.742237944
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202992445  0.001314597024
  0.045645264993  0.009513264751
  0.200092107604  0.046820949691
  0.473857209397  0.111117635182
  0.380503174813  0.087234029255
  0.029237345690  0.078926315217
  0.024312387884 -0.448245306296
 -0.005534583993 -0.653155904207
    6    1    6
  1.266924222
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013196355508
 -0.082590580541
 -0.255945286493
 -0.392947449184
 -0.560553713961
  0.103452253666
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
*    E.6. Zeolite related data                                                 *
********************************************************************************
********************************************************************************
*                                                                              *
********************************************************************************
*         E.1. Quartz                                                          *
********************************************************************************
*           E.1.a. Quartz                                                      *
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Quartz.                              *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Quartz.                               *
********************************************************************************
*         E.2. Dehydrated Na-A zeolite                                         *
********************************************************************************
*           E.2.a. Dehydrated Na-A zeolite [1 aimp for 3 different oxygens]    *
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                             *
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                             *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                              *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                             *
*           E.2.b. Dehydrated Na-A zeolite [3 aimp's for 3 different oxygens]  *
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.                         *
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.                         *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(1).                     *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(2).                     *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(3).                     *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.                         *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*    E.6. Zeolite related data                                                 *
********************************************************************************
*                                                                              *
********************************************************************************
*         E.1. Quartz                                                          *
********************************************************************************
*           E.1.a. Quartz                                                      *
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Quartz.                              *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Quartz.                               *
********************************************************************************
*     Quartz: Prototype tetrahedral silicate, model for Zeolites.
*     SiO2
*     No. 152: (P 31 2 1) trigonal.
*       (a): Si
*       (c): O
*     a = 4.9147 A, c = 5.4066 A
*     x(Si) = 0.4682, x(O) = 0.4131, y(O) = 0.2661, z(O) = 0.2131
********************************************************************************
/Si.ECP.Seijo.0s.0s.0e-AIMP-Quartz.
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in SiO2-Quartz
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  351360.0000      51370.00000      11410.00000      3047.900000
  944.0200000      322.9500000      117.5120000      41.24300000
  13.94200000      5.689100000      2.398200000
 0.1878169938E-01 0.2370287928E-01 0.4418545882E-01 0.7723919283E-01
 0.1310987602     0.2159009701     0.2723113854     0.2733447791
 0.5776454114     0.6999320404     0.1658574231
M2
    0
COREREP
   1.000
PROJOP
    1
   10    2    2    2
  137.2001550      11.71692751
  6786.310000      1016.120000      231.1210000      64.95240000
  19.97920000      34.66070000      3.578300000      1.313340000
  1.747740000     0.2310770000
  0.005749302714 -0.001550684635
  0.042768959233 -0.011515731123
  0.191707524624 -0.056789913348
  0.461731189921 -0.149916185500
  0.380408584183 -0.145910290669
  0.042851855471 -0.072324239390
  0.054769497446  0.633510035278
  0.042997240920  0.599000532619
 -0.069100817103 -0.095836105858
 -0.001756133165 -0.027021277867
    7    1    6
  8.001025529
  164.1970000      38.01650000      11.64390000      3.918350000
  1.331110000     0.4502910000     0.1638550000
  0.011673593205
  0.081392496016
  0.282691893773
  0.503364711059
  0.324744501811
  0.011586664801
  0.009082991593
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Seijo.0s.0s.0e-AIMP-Quartz.
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in SiO2-Quartz
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  268091.8300      31602.01200      5924.783000      1395.086000
  393.6343300      123.4050000      42.18421900      14.16163000
  4.435936000      1.687241600     0.6856000000     0.2730100000
 -.2244593046E-01 -.3352845833E-01 -.6725983170E-01 -.1218385237
 -.2170076803     -.3773051216     -.5000757970     -.4420538919
 -.7039835509     -1.256503837     -1.004217374     -.2537800037
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.77155055      2.530539708
  2048.050000      309.0990000      70.41410000      19.70110000
  6.031450000      10.22970000     0.9340920000     0.2862470000
  0.006200828600  0.001332059556
  0.045630917449  0.009804163488
  0.200005845792  0.046858222676
  0.473732338557  0.121786912152
  0.380966395861  0.119354767436
  0.028751120286  0.052256860835
  0.025097944770 -0.500129695731
 -0.005860207248 -0.610727816569
    6    1    6
  1.067088673
  34.97120000      7.845090000      2.303320000     0.7219820000
 0.2155270000     0.5900000000E-01
  0.012379508960
  0.083238613872
  0.228282499169
  0.462441122955
  0.426461512650
  0.065677603370
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.2. Dehydrated Na-A zeolite                                         *
********************************************************************************
*           E.2.a. Dehydrated Na-A zeolite [1 aimp for 3 different oxygens]    *
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                             *
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                             *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                              *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.                             *
********************************************************************************
*     Dehydrated Zeolite Na-A lattice.
*     SiAlNaO2/ Si96 Al96 Na96 O192
*     No. 226: Oh6(Fm3-c) cubic.
*     Positions:
*       (i): Si, Al, O(1), Na(2)[idealized to position (d)]
*       (j): O(3)
*       (g): Na(1)
*       (h): Na(3)[idealized to position(a)]
*     a = 24.555 A
*     x(Si) = 0.09316, y(Si) = 0.18499
*     y(Al) = 0.18715, z(Al) = 0.09042
*     y(O1) = 0.11367, z(O1) = 0.24663
*     y(O2) = 0.14459, z(O2) = 0.14591
*     x(O3) = 0.05379, y(O3) = 0.05865, z(O3) = 0.17152
*     x(Na1) = 0.0996
*     y(Na2) = 0.2165 -> 0.25, z(Na2) = 0.2111 -> 0.25
*     y(Na3) = 0.1060
********************************************************************************
/Si.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 1 type of oxygen MP
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  356970.0000      52887.00000      11854.00000      3187.400000
  993.8700000      340.7800000      124.7100000      44.60600000
  14.93000000      6.093200000      2.637800000
 0.1859129346E-01 0.2313383204E-01 0.4326437715E-01 0.7467040999E-01
 0.1275036366     0.2090203332     0.2705873492     0.2644257039
 0.5497837819     0.7039931799     0.2150261028
M2
    0
COREREP
   1.000
PROJOP
    1
   10    2    2    2
  137.7970674      12.30868274
  6786.310000      1016.120000      231.1210000      64.95240000
  19.97920000      34.66070000      3.578300000      1.313340000
  1.747740000     0.2310770000
  0.005749308492 -0.001551151396
  0.042768984321 -0.011519524199
  0.191707737074 -0.056806116411
  0.461730998090 -0.149983115516
  0.380405894022 -0.146028792362
  0.042854826673 -0.072292084779
  0.054777837613  0.634201925193
  0.043044712428  0.602355751220
 -0.069147069820 -0.098521606568
 -0.001787610048 -0.029490787899
    7    1    6
  8.600698450
  164.1970000      38.01650000      11.64390000      3.918350000
  1.331110000     0.4502910000     0.1638550000
  0.011670270129
  0.081361558481
  0.282615352662
  0.503113119418
  0.325079746833
  0.011503119058
  0.009590160205
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 1 type of oxygen MP
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  343200.0000      49158.00000      10706.00000      2817.100000
  866.8000000      294.1000000      106.3030000      36.73700000
  12.00900000      4.845400000      2.071200000
 0.2331546471E-01 0.2984488365E-01 0.5658229185E-01 0.9815324012E-01
 0.1683474594     0.2774194192     0.3628109064     0.3598288751
 0.7489150285     0.9224517393     0.2856640252
M2
    0
COREREP
   1.000
PROJOP
    1
   10    2    2    2
  116.2630082      8.994786198
  5908.580000      885.1210000      200.7280000      56.13330000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000
  0.005666289513 -0.001491413937
  0.042200303798 -0.011076058127
  0.190339646672 -0.054945101554
  0.462184919195 -0.145587391292
  0.382667618097 -0.141138944110
  0.042993118805 -0.072142534504
  0.050600734176  0.615593144128
  0.062544874565  0.621076854430
 -0.085006019865 -0.102540843198
 -0.001694331315 -0.028039501927
    7    1    6
  5.679173251
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001550000     0.3105050000     0.1124240000
  0.013902829197
  0.091333302510
  0.296806793611
  0.497173447164
  0.316160651771
  0.005771031735
  0.010079340243
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 1 type of oxygen MP
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  248791.8300      27601.01200      4976.083000      1154.986000
  327.0343300      104.0550000      35.83821900      11.49163000
  3.557936000      1.339341600     0.5317000000     0.2324800000
 -.2359232757E-01 -.3680064627E-01 -.7466552669E-01 -.1345855948
 -.2382323477     -.4029659369     -.5024658931     -.4567932845
 -.8657954282     -1.316146126     -.8056564097     -.1423004782
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.83883606      2.541544173
  2048.050000      309.0990000      70.41410000      19.70110000
  6.031450000      10.22970000     0.9340920000     0.2862470000
  0.006201315090  0.001332773179
  0.045634164003  0.009783832346
  0.200025624317  0.046977553777
  0.473760945023  0.120438683214
  0.380867416920  0.114607697193
  0.028854766059  0.056653088692
  0.024924839400 -0.496029964667
 -0.005794042671 -0.613796418011
    6    1    6
  1.089259521
  34.97120000      7.845090000      2.303320000     0.7219820000
 0.2155270000     0.5900000000E-01
  0.012410677231
  0.082287790969
  0.231265110741
  0.445243274767
  0.444808828651
  0.063282838148
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA.
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 1 type of oxygen MP
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  291000.0000      36290.00000      7137.000000      1752.700000
  521.8000000      171.0100000      60.52000000      19.17200000
  7.841000000      3.213600000      1.129500000
 0.6302106936E-01 0.9010905159E-01 0.1762347725     0.3181759521
 0.5388694405     0.9123140667      1.026823971      1.148145761
  1.521384181      3.198825771      1.006095963
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  80.49139477      5.124253075
  553.4000000      102.1800000      29.08000000      10.18100000
  1.890000000     0.5942000000
  0.061862716545 -0.015699217770
  0.272920269013 -0.072315342866
  0.500967900502 -0.192153010119
  0.299281390748 -0.123548344250
  0.018452287375  0.657333808004
 -0.003903379545  0.467871466762
    3    1    6
  2.437469341
  10.47200000      2.284600000     0.5814000000
  0.229752781337
  0.579657331349
  0.413292707143
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*           E.2.b. Dehydrated Na-A zeolite [3 aimp's for 3 different oxygens]  *
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.                         *
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.                         *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(1).                     *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(2).                     *
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(3).                     *
*             /Na.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.                         *
********************************************************************************
*     Dehydrated Zeolite Na-A lattice.
*     SiAlNaO2/ Si96 Al96 Na96 O192
*     No. 226: Oh6(Fm3-c) cubic.
*     Positions:
*       (i): Si, Al, O(1), Na(2)[idealized to position (d)]
*       (j): O(3)
*       (g): Na(1)
*       (h): Na(3)[idealized to position(a)]
*     a = 24.555 A
*     x(Si) = 0.09316, y(Si) = 0.18499
*     y(Al) = 0.18715, z(Al) = 0.09042
*     y(O1) = 0.11367, z(O1) = 0.24663
*     y(O2) = 0.14459, z(O2) = 0.14591
*     x(O3) = 0.05379, y(O3) = 0.05865, z(O3) = 0.17152
*     x(Na1) = 0.0996
*     y(Na2) = 0.2165 -> 0.25, z(Na2) = 0.2111 -> 0.25
*     y(Na3) = 0.1060
********************************************************************************
/Si.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  356970.0000      52887.00000      11854.00000      3187.400000
  993.8700000      340.7800000      124.7100000      44.60600000
  14.93000000      6.093200000      2.637800000
 0.1859111064E-01 0.2313246924E-01 0.4326540910E-01 0.7466416659E-01
 0.1275086984     0.2089980578     0.2706107410     0.2644453060
 0.5498612329     0.7036216714     0.2153011369
M2
    0
COREREP
   1.000
PROJOP
    1
   10    2    2    2
  137.7990772      12.31747655
  6786.310000      1016.120000      231.1210000      64.95240000
  19.97920000      34.66070000      3.578300000      1.313340000
  1.747740000     0.2310770000
  0.005749311459 -0.001550086638
  0.042769062518 -0.011510233479
  0.191707825799 -0.056771639361
  0.461733962937 -0.149792429571
  0.380412749424 -0.145617735171
  0.042847874034 -0.072483996866
  0.054737390933  0.632103422577
  0.042881779004  0.592977611753
 -0.068974917869 -0.090311657013
 -0.001716620609 -0.023755580797
    7    1    6
  8.598458192
  164.1970000      38.01650000      11.64390000      3.918350000
  1.331110000     0.4502910000     0.1638550000
  0.011673059904
  0.081394599987
  0.282673068055
  0.503372859995
  0.324508874794
  0.012287957741
  0.008485827725
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  343200.0000      49158.00000      10706.00000      2817.100000
  866.8000000      294.1000000      106.3030000      36.73700000
  12.00900000      4.845400000      2.071200000
 0.2331527935E-01 0.2982855283E-01 0.5660359837E-01 0.9807373353E-01
 0.1684534126     0.2771447761     0.3631353955     0.3592003108
 0.7497959914     0.9198591906     0.2879230923
M2
    0
COREREP
   1.000
PROJOP
    1
   10    2    2    2
  116.2690370      9.005140327
  5908.580000      885.1210000      200.7280000      56.13330000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000
  0.005666298774 -0.001490359559
  0.042200377237 -0.011067676470
  0.190340143144 -0.054907917935
  0.462185709462 -0.145448847852
  0.382666203579 -0.140906746673
  0.042994157854 -0.072187350537
  0.050583847720  0.614495793373
  0.062431623991  0.613632822766
 -0.084896093563 -0.096754614126
 -0.001634580684 -0.022569390918
    7    1    6
  5.680716150
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001550000     0.3105050000     0.1124240000
  0.013900528060
  0.091345239796
  0.296729267558
  0.497380235561
  0.314957038359
  0.008059294480
  0.009494790296
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(1).
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  248791.8300      27601.01200      4976.083000      1154.986000
  327.0343300      104.0550000      35.83821900      11.49163000
  3.557936000      1.339341600     0.5317000000     0.2324800000
 -.2366525605E-01 -.3689735477E-01 -.7492148499E-01 -.1348892268
 -.2390352700     -.4037790715     -.5045192219     -.4600961629
 -.8764914660     -1.328479902     -.7977638057     -.1194617778
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.60933151      2.314432645
  2048.050000      309.0990000      70.41410000      19.70110000
  6.031450000      10.22970000     0.9340920000     0.2862470000
  0.006201285653  0.001334588869
  0.045634057943  0.009804387349
  0.200024297346  0.047016574032
  0.473762984095  0.121009675231
  0.380885073538  0.116120036920
  0.028837090879  0.055526151835
  0.024919549468 -0.499463470894
 -0.005780041997 -0.610879070689
    6    1    6
 0.8549243601
  34.97120000      7.845090000      2.303320000     0.7219820000
 0.2155270000     0.5900000000E-01
  0.012561164510
  0.083358678524
  0.233907823797
  0.452740919058
  0.440158105668
  0.050979459601
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(2).
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  248791.8300      27601.01200      4976.083000      1154.986000
  327.0343300      104.0550000      35.83821900      11.49163000
  3.557936000      1.339341600     0.5317000000     0.2324800000
 -.2363894933E-01 -.3686146435E-01 -.7483083199E-01 -.1347761574
 -.2387545753     -.4034929628     -.5037557273     -.4582005804
 -.8722976315     -1.328104569     -.7956054176     -.1296811326
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.53680723      2.238392340
  2048.050000      309.0990000      70.41410000      19.70110000
  6.031450000      10.22970000     0.9340920000     0.2862470000
  0.006201227042  0.001338231402
  0.045633513229  0.009841334391
  0.200021561258  0.047110534351
  0.473754887055  0.121920959279
  0.380877800463  0.118383794702
  0.028844902022  0.053996229675
  0.024958141544 -0.505818411536
 -0.005813771354 -0.605398183990
    6    1    6
 0.7933752298
  34.97120000      7.845090000      2.303320000     0.7219820000
 0.2155270000     0.5900000000E-01
  0.012444408387
  0.082671600704
  0.231626569916
  0.451460813379
  0.440720004903
  0.056991043829
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/O.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO-O(3).
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  248791.8300      27601.01200      4976.083000      1154.986000
  327.0343300      104.0550000      35.83821900      11.49163000
  3.557936000      1.339341600     0.5317000000     0.2324800000
 -.2361146621E-01 -.3682562610E-01 -.7473294241E-01 -.1346652126
 -.2384305062     -.4032062961     -.5029667655     -.4578667016
 -.8689070342     -1.317168624     -.8073491033     -.1342697217
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.85596179      2.555790767
  2048.050000      309.0990000      70.41410000      19.70110000
  6.031450000      10.22970000     0.9340920000     0.2862470000
  0.006201359475  0.001331828368
  0.045634547337  0.009771728382
  0.200027316353  0.046962250035
  0.473767309079  0.120062175423
  0.380868894449  0.113546109270
  0.028853388142  0.057476399559
  0.024891118504 -0.493852664298
 -0.005762835380 -0.615628666185
    6    1    6
  1.099586857
  34.97120000      7.845090000      2.303320000     0.7219820000
 0.2155270000     0.5900000000E-01
  0.012468544113
  0.082618447906
  0.232475054133
  0.446517887260
  0.444662270570
  0.058660428939
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Na.ECP.Seijo.0s.0s.0e-AIMP-Z-DhNaA-3xO.
A.R.Ruiz-Salvador, Z.Barandiaran, L.Seijo, unpublished.
From a SCEI calculation in Dehydrated Na-A zeolite with 3 different oxygens
   1.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   11
  291000.0000      36290.00000      7137.000000      1752.700000
  521.8000000      171.0100000      60.52000000      19.17200000
  7.841000000      3.213600000      1.129500000
 0.6302015276E-01 0.9010882812E-01 0.1762306218     0.3181773068
 0.5388529919     0.9123230411      1.026781854      1.148235382
  1.521146332      3.198842894      1.006280596
M2
    0
COREREP
   1.000
PROJOP
    1
    6    2    2    2
  80.49170034      5.124943800
  553.4000000      102.1800000      29.08000000      10.18100000
  1.890000000     0.5942000000
  0.061862717331 -0.015697748495
  0.272920395247 -0.072305337508
  0.500967517581 -0.192144137826
  0.299282156374 -0.123499201432
  0.018449789620  0.657070359576
 -0.003900103233  0.468113379354
    3    1    6
  2.437432428
  10.47200000      2.284600000     0.5814000000
  0.229758605749
  0.579650380590
  0.413296706942
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
********************************************************************************
*    E.7. Zincblende                                                           *
********************************************************************************
********************************************************************************
*                                                                              *
********************************************************************************
*         E.7.1. CuF                                                           *
********************************************************************************
*           E.7.1.a. CuF (a=4.255 A)                                           *
*             /Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuF.                       *
*             /Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuF.                           *
*             /Cu.ECP.Sousa.0s.0s.0e-AIMP-CuF.                                 *
*             /F.ECP.Sousa.0s.0s.0e-AIMP-CuF.                                  *
********************************************************************************
*         E.7.2. CuCl                                                          *
********************************************************************************
*           E.7.2.a. CuCl (a=5.40 A)                                           *
*             /Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuCl.                      *
*             /Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuCl.                          *
*             /Cu.ECP.Sousa.0s.0s.0e-AIMP-CuCl.                                *
*             /Cl.ECP.Sousa.0s.0s.0e-AIMP-CuCl.                                *
********************************************************************************
*         E.7.3. CuBr                                                          *
********************************************************************************
*           E.7.3.a. CuBr (a=5.69 A)                                           *
*             /Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuBr.                      *
*             /Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuBr.                          *
*             /Cu.ECP.Sousa.0s.0s.0e-AIMP-CuBr.                                *
*             /Br.ECP.Sousa.0s.0s.0e-AIMP-CuBr.                                *
********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*    E.7. Zincblende                                                           *
********************************************************************************
*                                                                              *
********************************************************************************
*         E.7.1. CuF                                                           *
********************************************************************************
*           E.7.1.a. CuF (a=4.255 A)                                           *
*             /Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuF.                       *
*             /Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuF.                           *
*             /Cu.ECP.Sousa.0s.0s.0e-AIMP-CuF.                                 *
*             /F.ECP.Sousa.0s.0s.0e-AIMP-CuF.                                  *
********************************************************************************
/Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuF.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuF with a=4.255A
* with orthogonalization functions
* CU-CUF-(14/11/6)             (A4/A1/6)
  1.000000         2

   14     1
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
    -.000041112292
    -.000315372795
    -.001624002500
    -.006415660240
    -.019621544500
    -.043251336600
    -.104297753000
    -.050634359700
     .371778980000
     .409120199000
    -.609388346000
    -.637401029000
     .007142054250
     .001439096550
   11    1
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
     .001063692130
     .008482487270
     .038547502700
     .107799270000
     .173040911000
     .123295204000
    -.401003148000
    -.514880772000
    -.274344126000
     .011300078300
     .001355332440
    6    1
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023468758600
  -.127196277000
  -.401400120000
  -.399273685000
  -.399626997000
   .019131290600
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   324151.1700
   45313.57550
   10160.50800
   2919.497590
   985.1588320
   358.1647150
   124.3383970
   50.75876830
   21.81136380
   6.000399000
   2.510483000
   .9048073000

   .227746214000
   .296385352000
   .532452812000
   .881576790000
  1.341863380000
  1.607563580000
  2.276295550000
  4.238980530000
  2.560493720000
  6.854643420000
  5.132332140000
  2.049666520000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.022000      80.9114000      9.30020000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850042   .000106555568  -.000041112292
  -.002353849670   .000817388807  -.000315372795
  -.012121076400   .004209118500  -.001624002500
  -.047884598700   .016628222100  -.006415660240
  -.146449430000   .050855467200  -.019621544500
  -.322815240000   .112099582000  -.043251336600
  -.408035008000   .237413470000  -.104297753000
  -.198092392000   .115259233000  -.050634359700
  -.007080461370  -.536838977000   .371778980000
  -.007791617900  -.590758704000   .409120199000
   .006070242820  -.050084821000  -.609388346000
  -.003102856030   .006812310320  -.637401029000
   .000876069138  -.001246336240   .007142054250
  -.000406215200   .000693633109   .001439096550
   11    2
  70.5829333      5.95606667
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
   .002674697120   .001063692130
   .021329559200   .008482487270
   .096929263000   .038547502700
   .271065649000   .107799270000
   .435118406000   .173040911000
   .310030804000   .123295204000
   .053300439500  -.401003148000
  -.001121505180  -.514880772000
   .001609110030  -.274344126000
  -.000490338771   .011300078300
   .000106171001   .001355332440
    6    1
  .258600000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023468758600
  -.127196277000
  -.401400120000
  -.399273685000
  -.399626997000
   .019131290600
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuF.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuF with a=4.255A
* with orthogonalization functions
* CU-CUF-(14/11)             (A4/A1)
  1.000000         1

   14     1
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
    -.000041112292
    -.000315372795
    -.001624002500
    -.006415660240
    -.019621544500
    -.043251336600
    -.104297753000
    -.050634359700
     .371778980000
     .409120199000
    -.609388346000
    -.637401029000
     .007142054250
     .001439096550
   11    1
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
     .001063692130
     .008482487270
     .038547502700
     .107799270000
     .173040911000
     .123295204000
    -.401003148000
    -.514880772000
    -.274344126000
     .011300078300
     .001355332440
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   324151.1700
   45313.57550
   10160.50800
   2919.497590
   985.1588320
   358.1647150
   124.3383970
   50.75876830
   21.81136380
   6.000399000
   2.510483000
   .9048073000

   .227746214000
   .296385352000
   .532452812000
   .881576790000
  1.341863380000
  1.607563580000
  2.276295550000
  4.238980530000
  2.560493720000
  6.854643420000
  5.132332140000
  2.049666520000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.022000      80.9114000      9.30020000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850042   .000106555568  -.000041112292
  -.002353849670   .000817388807  -.000315372795
  -.012121076400   .004209118500  -.001624002500
  -.047884598700   .016628222100  -.006415660240
  -.146449430000   .050855467200  -.019621544500
  -.322815240000   .112099582000  -.043251336600
  -.408035008000   .237413470000  -.104297753000
  -.198092392000   .115259233000  -.050634359700
  -.007080461370  -.536838977000   .371778980000
  -.007791617900  -.590758704000   .409120199000
   .006070242820  -.050084821000  -.609388346000
  -.003102856030   .006812310320  -.637401029000
   .000876069138  -.001246336240   .007142054250
  -.000406215200   .000693633109   .001439096550
   11    2
  70.5829333      5.95606667
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
   .002674697120   .001063692130
   .021329559200   .008482487270
   .096929263000   .038547502700
   .271065649000   .107799270000
   .435118406000   .173040911000
   .310030804000   .123295204000
   .053300439500  -.401003148000
  -.001121505180  -.514880772000
   .001609110030  -.274344126000
  -.000490338771   .011300078300
   .000106171001   .001355332440
    6    1
  .258600000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023468758600
  -.127196277000
  -.401400120000
  -.399273685000
  -.399626997000
   .019131290600
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.ECP.Sousa.0s.0s.0e-AIMP-CuF.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuF with a=4.255A
  1.000    0
    0    0
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   324151.1700
   45313.57550
   10160.50800
   2919.497590
   985.1588320
   358.1647150
   124.3383970
   50.75876830
   21.81136380
   6.000399000
   2.510483000
   .9048073000

   .227746214000
   .296385352000
   .532452812000
   .881576790000
  1.341863380000
  1.607563580000
  2.276295550000
  4.238980530000
  2.560493720000
  6.854643420000
  5.132332140000
  2.049666520000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.022000      80.9114000      9.30020000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850042   .000106555568  -.000041112292
  -.002353849670   .000817388807  -.000315372795
  -.012121076400   .004209118500  -.001624002500
  -.047884598700   .016628222100  -.006415660240
  -.146449430000   .050855467200  -.019621544500
  -.322815240000   .112099582000  -.043251336600
  -.408035008000   .237413470000  -.104297753000
  -.198092392000   .115259233000  -.050634359700
  -.007080461370  -.536838977000   .371778980000
  -.007791617900  -.590758704000   .409120199000
   .006070242820  -.050084821000  -.609388346000
  -.003102856030   .006812310320  -.637401029000
   .000876069138  -.001246336240   .007142054250
  -.000406215200   .000693633109   .001439096550
   11    2
  70.5829333      5.95606667
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
   .002674697120   .001063692130
   .021329559200   .008482487270
   .096929263000   .038547502700
   .271065649000   .107799270000
   .435118406000   .173040911000
   .310030804000   .123295204000
   .053300439500  -.401003148000
  -.001121505180  -.514880772000
   .001609110030  -.274344126000
  -.000490338771   .011300078300
   .000106171001   .001355332440
    6    1
  .258600000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023468758600
  -.127196277000
  -.401400120000
  -.399273685000
  -.399626997000
   .019131290600
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/F.ECP.Sousa.0s.0s.0e-AIMP-CuF.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuF with a=4.255A
 -1.000    0
    0    0
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   12
   324151.1700
   45313.57550
   10160.50800
   2919.497590
   985.1588320
   358.1647150
   124.3383970
   50.75876830
   21.81136380
   6.000399000
   2.510483000
   .9048073000

  -.227746214000
  -.296385352000
  -.532452812000
  -.881576790000
 -1.341863380000
 -1.607563580000
 -2.276295550000
 -4.238980530000
 -2.560493720000
 -6.854643420000
 -5.132332140000
 -2.049666520000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.022000      80.9114000      9.30020000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850042   .000106555568  -.000041112292
  -.002353849670   .000817388807  -.000315372795
  -.012121076400   .004209118500  -.001624002500
  -.047884598700   .016628222100  -.006415660240
  -.146449430000   .050855467200  -.019621544500
  -.322815240000   .112099582000  -.043251336600
  -.408035008000   .237413470000  -.104297753000
  -.198092392000   .115259233000  -.050634359700
  -.007080461370  -.536838977000   .371778980000
  -.007791617900  -.590758704000   .409120199000
   .006070242820  -.050084821000  -.609388346000
  -.003102856030   .006812310320  -.637401029000
   .000876069138  -.001246336240   .007142054250
  -.000406215200   .000693633109   .001439096550
   11    2
  70.5829333      5.95606667
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
   .002674697120   .001063692130
   .021329559200   .008482487270
   .096929263000   .038547502700
   .271065649000   .107799270000
   .435118406000   .173040911000
   .310030804000   .123295204000
   .053300439500  -.401003148000
  -.001121505180  -.514880772000
   .001609110030  -.274344126000
  -.000490338771   .011300078300
   .000106171001   .001355332440
    6    1
  .258600000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023468758600
  -.127196277000
  -.401400120000
  -.399273685000
  -.399626997000
   .019131290600
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.7.2. CuCl                                                          *
********************************************************************************
*           E.7.2.a. CuCl (a=5.40 A)                                           *
*             /Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuCl.                      *
*             /Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuCl.                          *
*             /Cu.ECP.Sousa.0s.0s.0e-AIMP-CuCl.                                *
*             /Cl.ECP.Sousa.0s.0s.0e-AIMP-CuCl.                                *
********************************************************************************
/Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuCl.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuCl with a=5.40A
* with orthogonalization functions
* CU-CUCL-(14/11/6)             (A4/A1/6)
  1.000000         2

   14     1
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
    -.000041108021
    -.000315340031
    -.001623833780
    -.006414993710
    -.019619506000
    -.043246843200
    -.104300039000
    -.050635469400
     .371842070000
     .409189624000
    -.611459365000
    -.632583721000
    -.001451534450
     .005843089040
  11   1
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
     .001063090140
     .008477686680
     .038525687000
     .107738262000
     .172942979000
     .123225426000
    -.400211975000
    -.517068316000
    -.267905561000
     .002905896910
     .003295820460
   6   1
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023023691700
  -.124784097000
  -.393787876000
  -.391701767000
  -.394991000000
  -.043275340100
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   287630.0000
   36454.00000
   7584.500000
   1971.600000
   596.5500000
   181.4600000
   60.56600000
   24.34600000
   5.917700000
   2.294400000
   .7462700000

   .247321927000
   .345321706000
   .659913096000
  1.183750160000
  1.733865370000
  2.120549370000
  4.389776760000
  3.174512450000
  7.172326890000
  5.183876770000
  1.788785500000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.320400      81.2064000      9.58840000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850358   .000106556888  -.000041108021
  -.002353852090   .000817398930  -.000315340031
  -.012121088900   .004209170620  -.001623833780
  -.047884648000   .016628428000  -.006414993710
  -.146449581000   .050856097100  -.019619506000
  -.322815572000   .112100970000  -.043246843200
  -.408034973000   .237414243000  -.104300039000
  -.198092375000   .115259609000  -.050635469400
  -.007079862830  -.536844492000   .371842070000
  -.007790959250  -.590764773000   .409189624000
   .006068499730  -.050118177200  -.611459365000
  -.003100700780   .006924819030  -.632583721000
   .000873819291  -.001413237350  -.001451534450
  -.000404936873   .000791847917   .005843089040
   11    2
  70.8786667      6.24633333
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
  -.002674731490   .001063090140
  -.021329833300   .008477686680
  -.096930508800   .038525687000
  -.271069133000   .107738262000
  -.435123999000   .172942979000
  -.310034789000   .123225426000
  -.053262287300  -.400211975000
   .001076904130  -.517068316000
  -.001551634690  -.267905561000
   .000426241778   .002905896910
  -.000082370971   .003295820460
    6    1
  .551520000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023023691700
  -.124784097000
  -.393787876000
  -.391701767000
  -.394991000000
  -.043275340100
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuCl.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuCl with a=5.40A
* with orthogonalization functions
* CU-CUCL-(14/11)             (A4/A1)
  1.000000         1

   14     1
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
    -.000041108021
    -.000315340031
    -.001623833780
    -.006414993710
    -.019619506000
    -.043246843200
    -.104300039000
    -.050635469400
     .371842070000
     .409189624000
    -.611459365000
    -.632583721000
    -.001451534450
     .005843089040
   11    1
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
     .001063090140
     .008477686680
     .038525687000
     .107738262000
     .172942979000
     .123225426000
    -.400211975000
    -.517068316000
    -.267905561000
     .002905896910
     .003295820460
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   287630.0000
   36454.00000
   7584.500000
   1971.600000
   596.5500000
   181.4600000
   60.56600000
   24.34600000
   5.917700000
   2.294400000
   .7462700000

   .247321927000
   .345321706000
   .659913096000
  1.183750160000
  1.733865370000
  2.120549370000
  4.389776760000
  3.174512450000
  7.172326890000
  5.183876770000
  1.788785500000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.320400      81.2064000      9.58840000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850358   .000106556888  -.000041108021
  -.002353852090   .000817398930  -.000315340031
  -.012121088900   .004209170620  -.001623833780
  -.047884648000   .016628428000  -.006414993710
  -.146449581000   .050856097100  -.019619506000
  -.322815572000   .112100970000  -.043246843200
  -.408034973000   .237414243000  -.104300039000
  -.198092375000   .115259609000  -.050635469400
  -.007079862830  -.536844492000   .371842070000
  -.007790959250  -.590764773000   .409189624000
   .006068499730  -.050118177200  -.611459365000
  -.003100700780   .006924819030  -.632583721000
   .000873819291  -.001413237350  -.001451534450
  -.000404936873   .000791847917   .005843089040
   11    2
  70.8786667      6.24633333
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
  -.002674731490   .001063090140
  -.021329833300   .008477686680
  -.096930508800   .038525687000
  -.271069133000   .107738262000
  -.435123999000   .172942979000
  -.310034789000   .123225426000
  -.053262287300  -.400211975000
   .001076904130  -.517068316000
  -.001551634690  -.267905561000
   .000426241778   .002905896910
  -.000082370971   .003295820460
    6    1
  .551520000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023023691700
  -.124784097000
  -.393787876000
  -.391701767000
  -.394991000000
  -.043275340100
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.ECP.Sousa.0s.0s.0e-AIMP-CuCl.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuCl with a=5.40A
  1.000    0
    0    0
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   287630.0000
   36454.00000
   7584.500000
   1971.600000
   596.5500000
   181.4600000
   60.56600000
   24.34600000
   5.917700000
   2.294400000
   .7462700000

   .247321927000
   .345321706000
   .659913096000
  1.183750160000
  1.733865370000
  2.120549370000
  4.389776760000
  3.174512450000
  7.172326890000
  5.183876770000
  1.788785500000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.320400      81.2064000      9.58840000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850358   .000106556888  -.000041108021
  -.002353852090   .000817398930  -.000315340031
  -.012121088900   .004209170620  -.001623833780
  -.047884648000   .016628428000  -.006414993710
  -.146449581000   .050856097100  -.019619506000
  -.322815572000   .112100970000  -.043246843200
  -.408034973000   .237414243000  -.104300039000
  -.198092375000   .115259609000  -.050635469400
  -.007079862830  -.536844492000   .371842070000
  -.007790959250  -.590764773000   .409189624000
   .006068499730  -.050118177200  -.611459365000
  -.003100700780   .006924819030  -.632583721000
   .000873819291  -.001413237350  -.001451534450
  -.000404936873   .000791847917   .005843089040
   11    2
  70.8786667      6.24633333
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
  -.002674731490   .001063090140
  -.021329833300   .008477686680
  -.096930508800   .038525687000
  -.271069133000   .107738262000
  -.435123999000   .172942979000
  -.310034789000   .123225426000
  -.053262287300  -.400211975000
   .001076904130  -.517068316000
  -.001551634690  -.267905561000
   .000426241778   .002905896910
  -.000082370971   .003295820460
    6    1
  .551520000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023023691700
  -.124784097000
  -.393787876000
  -.391701767000
  -.394991000000
  -.043275340100
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cl.ECP.Sousa.0s.0s.0e-AIMP-CuCl.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuCl with a=5.40A
 -1.000    0
    0    0
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   287630.0000
   36454.00000
   7584.500000
   1971.600000
   596.5500000
   181.4600000
   60.56600000
   24.34600000
   5.917700000
   2.294400000
   .7462700000

  -.247321927000
  -.345321706000
  -.659913096000
 -1.183750160000
 -1.733865370000
 -2.120549370000
 -4.389776760000
 -3.174512450000
 -7.172326890000
 -5.183876770000
 -1.788785500000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.320400      81.2064000      9.58840000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850358   .000106556888  -.000041108021
  -.002353852090   .000817398930  -.000315340031
  -.012121088900   .004209170620  -.001623833780
  -.047884648000   .016628428000  -.006414993710
  -.146449581000   .050856097100  -.019619506000
  -.322815572000   .112100970000  -.043246843200
  -.408034973000   .237414243000  -.104300039000
  -.198092375000   .115259609000  -.050635469400
  -.007079862830  -.536844492000   .371842070000
  -.007790959250  -.590764773000   .409189624000
   .006068499730  -.050118177200  -.611459365000
  -.003100700780   .006924819030  -.632583721000
   .000873819291  -.001413237350  -.001451534450
  -.000404936873   .000791847917   .005843089040
   11    2
  70.8786667      6.24633333
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
  -.002674731490   .001063090140
  -.021329833300   .008477686680
  -.096930508800   .038525687000
  -.271069133000   .107738262000
  -.435123999000   .172942979000
  -.310034789000   .123225426000
  -.053262287300  -.400211975000
   .001076904130  -.517068316000
  -.001551634690  -.267905561000
   .000426241778   .002905896910
  -.000082370971   .003295820460
    6    1
  .551520000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023023691700
  -.124784097000
  -.393787876000
  -.391701767000
  -.394991000000
  -.043275340100
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

*
********************************************************************************
*         E.7.3. CuBr                                                          *
********************************************************************************
*           E.7.3.a. CuBr (a=5.69 A)                                           *
*             /Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuBr.                      *
*             /Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuBr.                          *
*             /Cu.ECP.Sousa.0s.0s.0e-AIMP-CuBr.                                *
*             /Br.ECP.Sousa.0s.0s.0e-AIMP-CuBr.                                *
********************************************************************************
/Cu.ECP.Sousa.14s11p6d.1s1p1d.0e-AIMP-CuBr.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuBr with a=5.69A
* with orthogonalization functions
* CU-CUBR-(14/11/6)             (A4/A1/6)
  1.000000         2

   14     1
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
    -.000041114464
    -.000315389455
    -.001624088290
    -.006415999160
    -.019622581100
    -.043253621500
    -.104318990000
    -.050644669600
     .371925055000
     .409280945000
    -.611991448000
    -.631990283000
    -.002213032990
     .006673790780
   11    1
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
    -.001063176690
    -.008478376830
    -.038528823300
    -.107747033000
    -.172957058000
    -.123235458000
     .400233077000
     .517360962000
     .267195763000
    -.002502940620
    -.002926827410
    6    1
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023053595800
  -.124946172000
  -.394299345000
  -.392210526000
  -.395905324000
  -.038064579000
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   287090.0000
   36331.00000
   7551.600000
   1962.440000
   593.8800000
   180.6900000
   60.46300000
   24.35500000
   5.936600000
   2.317790000
   .7602850000

   .247686050000
   .346240882000
   .661831385000
  1.186858960000
  1.735282000000
  2.122758130000
  4.386107920000
  3.167789380000
  7.135984040000
  5.192586140000
  1.816875110000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.384000      81.2702000      9.64860000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850296   .000106557207  -.000041114464
  -.002353851620   .000817401375  -.000315389455
  -.012121086400   .004209183210  -.001624088290
  -.047884638300   .016628477700  -.006415999160
  -.146449551000   .050856249200  -.019622581100
  -.322815507000   .112101305000  -.043253621500
  -.408035003000   .237415122000  -.104318990000
  -.198092390000   .115260035000  -.050644669600
  -.007079932010  -.536847355000   .371925055000
  -.007791035380  -.590767924000   .409280945000
   .006068565550  -.050114220100  -.611991448000
  -.003100661860   .006931477810  -.631990283000
   .000873566006  -.001428858740  -.002213032990
  -.000404352905   .000820753436   .006673790780
   11    2
  70.9424000      6.30733333
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
  -.002674740810  -.001063176690
  -.021329907600  -.008478376830
  -.096930846400  -.038528823300
  -.271070077000  -.107747033000
  -.435125514000  -.172957058000
  -.310035869000  -.123235458000
  -.053257127500   .400233077000
   .001077589770   .517360962000
  -.001546222150   .267195763000
   .000422077741  -.002502940620
  -.000083595712  -.002926827410
    6    1
  .612840000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023053595800
  -.124946172000
  -.394299345000
  -.392210526000
  -.395905324000
  -.038064579000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.ECP.Sousa.14s11p.1s1p.0e-AIMP-CuBr.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuBr with a=5.69A
* with orthogonalization functions
* CU-CUBR-(14/11)             (A4/A1)
  1.000000         1

   14     1
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
    -.000041114464
    -.000315389455
    -.001624088290
    -.006415999160
    -.019622581100
    -.043253621500
    -.104318990000
    -.050644669600
     .371925055000
     .409280945000
    -.611991448000
    -.631990283000
    -.002213032990
     .006673790780
   11    1
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
    -.001063176690
    -.008478376830
    -.038528823300
    -.107747033000
    -.172957058000
    -.123235458000
     .400233077000
     .517360962000
     .267195763000
    -.002502940620
    -.002926827410
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   287090.0000
   36331.00000
   7551.600000
   1962.440000
   593.8800000
   180.6900000
   60.46300000
   24.35500000
   5.936600000
   2.317790000
   .7602850000

   .247686050000
   .346240882000
   .661831385000
  1.186858960000
  1.735282000000
  2.122758130000
  4.386107920000
  3.167789380000
  7.135984040000
  5.192586140000
  1.816875110000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.384000      81.2702000      9.64860000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850296   .000106557207  -.000041114464
  -.002353851620   .000817401375  -.000315389455
  -.012121086400   .004209183210  -.001624088290
  -.047884638300   .016628477700  -.006415999160
  -.146449551000   .050856249200  -.019622581100
  -.322815507000   .112101305000  -.043253621500
  -.408035003000   .237415122000  -.104318990000
  -.198092390000   .115260035000  -.050644669600
  -.007079932010  -.536847355000   .371925055000
  -.007791035380  -.590767924000   .409280945000
   .006068565550  -.050114220100  -.611991448000
  -.003100661860   .006931477810  -.631990283000
   .000873566006  -.001428858740  -.002213032990
  -.000404352905   .000820753436   .006673790780
   11    2
  70.9424000      6.30733333
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
  -.002674740810  -.001063176690
  -.021329907600  -.008478376830
  -.096930846400  -.038528823300
  -.271070077000  -.107747033000
  -.435125514000  -.172957058000
  -.310035869000  -.123235458000
  -.053257127500   .400233077000
   .001077589770   .517360962000
  -.001546222150   .267195763000
   .000422077741  -.002502940620
  -.000083595712  -.002926827410
    6    1
  .612840000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023053595800
  -.124946172000
  -.394299345000
  -.392210526000
  -.395905324000
  -.038064579000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Cu.ECP.Sousa.0s.0s.0e-AIMP-CuBr.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuBr with a=5.69A
  1.000    0
    0    0
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   287090.0000
   36331.00000
   7551.600000
   1962.440000
   593.8800000
   180.6900000
   60.46300000
   24.35500000
   5.936600000
   2.317790000
   .7602850000

   .247686050000
   .346240882000
   .661831385000
  1.186858960000
  1.735282000000
  2.122758130000
  4.386107920000
  3.167789380000
  7.135984040000
  5.192586140000
  1.816875110000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.384000      81.2702000      9.64860000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850296   .000106557207  -.000041114464
  -.002353851620   .000817401375  -.000315389455
  -.012121086400   .004209183210  -.001624088290
  -.047884638300   .016628477700  -.006415999160
  -.146449551000   .050856249200  -.019622581100
  -.322815507000   .112101305000  -.043253621500
  -.408035003000   .237415122000  -.104318990000
  -.198092390000   .115260035000  -.050644669600
  -.007079932010  -.536847355000   .371925055000
  -.007791035380  -.590767924000   .409280945000
   .006068565550  -.050114220100  -.611991448000
  -.003100661860   .006931477810  -.631990283000
   .000873566006  -.001428858740  -.002213032990
  -.000404352905   .000820753436   .006673790780
   11    2
  70.9424000      6.30733333
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
  -.002674740810  -.001063176690
  -.021329907600  -.008478376830
  -.096930846400  -.038528823300
  -.271070077000  -.107747033000
  -.435125514000  -.172957058000
  -.310035869000  -.123235458000
  -.053257127500   .400233077000
   .001077589770   .517360962000
  -.001546222150   .267195763000
   .000422077741  -.002502940620
  -.000083595712  -.002926827410
    6    1
  .612840000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023053595800
  -.124946172000
  -.394299345000
  -.392210526000
  -.395905324000
  -.038064579000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Br.ECP.Sousa.0s.0s.0e-AIMP-CuBr.
C. de Graaf, C. Sousa, R. Broer, J. Mol. Struct. (TheoChem) 458, 53 (1999)
From a SCEI calculation in CuBr with a=5.69A
 -1.000    0
    0    0
*
* External AIMP: AIMP
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
M1
   11
   287090.0000
   36331.00000
   7551.600000
   1962.440000
   593.8800000
   180.6900000
   60.46300000
   24.35500000
   5.936600000
   2.317790000
   .7602850000

  -.247686050000
  -.346240882000
  -.661831385000
 -1.186858960000
 -1.735282000000
 -2.122758130000
 -4.386107920000
 -3.167789380000
 -7.135984040000
 -5.192586140000
 -1.816875110000
M2
    0
COREREP
   1.0
PROJOP
    2
   14    3
  657.384000      81.2702000      9.64860000
   307637.0000
   46592.90000
   10651.10000
   3043.310000
   1010.062000
   374.2520000
   150.7960000
   64.62680000
   22.13810000
   9.347500000
   2.608600000
   .9972000000
   .1401000000
   .4940000000E-01
  -.000306850296   .000106557207  -.000041114464
  -.002353851620   .000817401375  -.000315389455
  -.012121086400   .004209183210  -.001624088290
  -.047884638300   .016628477700  -.006415999160
  -.146449551000   .050856249200  -.019622581100
  -.322815507000   .112101305000  -.043253621500
  -.408035003000   .237415122000  -.104318990000
  -.198092390000   .115260035000  -.050644669600
  -.007079932010  -.536847355000   .371925055000
  -.007791035380  -.590767924000   .409280945000
   .006068565550  -.050114220100  -.611991448000
  -.003100661860   .006931477810  -.631990283000
   .000873566006  -.001428858740  -.002213032990
  -.000404352905   .000820753436   .006673790780
   11    2
  70.9424000      6.30733333
   2026.050000
   484.2070000
   157.8030000
   60.48440000
   25.35930000
   11.16850000
   4.564100000
   1.884400000
   .7348000000
   .3100000000
   .1200000000
  -.002674740810  -.001063176690
  -.021329907600  -.008478376830
  -.096930846400  -.038528823300
  -.271070077000  -.107747033000
  -.435125514000  -.172957058000
  -.310035869000  -.123235458000
  -.053257127500   .400233077000
   .001077589770   .517360962000
  -.001546222150   .267195763000
   .000422077741  -.002502940620
  -.000083595712  -.002926827410
    6    1
  .612840000
   53.64780000
   15.07470000
   5.103900000
   1.727400000
   .5283000000
   .1491000000
  -.023053595800
  -.124946172000
  -.394299345000
  -.392210526000
  -.395905324000
  -.038064579000
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
*                                                                              *
********************************************************************************
*    E.8. Garnets
********************************************************************************
*
*         E.8.01. Y3Al5O12 (YAG)
*         E.8.02. Gd3Al5O12 (GdAG)
*         E.8.03. Er3Al5O12 (ErAG)
*         E.8.04. Yb3Al5O12 (YbAG)
*         E.8.05. Lu3Al5O12 (LuAG)
*         E.8.06. Y3Ga5O12 (YGG)
*         E.8.07. Nd3Ga5O12 (NdGG)
*         E.8.08. Sm3Ga5O12 (SmGG)
*         E.8.09. Gd3Ga5O12 (GdGG)
*         E.8.10. Tb3Ga5O12 (TbGG)
*         E.8.11. Dy3Ga5O12 (DyGG)
*         E.8.12. Ho3Ga5O12 (HoGG)
*         E.8.13. Yb3Ga5O12 (YbGG)
*         E.8.14. Lu3Ga5O12 (LuGG)
*         E.8.15. Mg3Al2Si3O12 (Pyrope)
*         E.8.16. Ca3Al2Si3O12 (Grossular)
*         E.8.17. Mn3Al2Si3O12 (Spessartine)
*         E.8.18. Fe3Al2Si3O12 (Almandine)
*         E.8.19. Ca3Fe2Si3O12 (Andradite)
*         E.8.20. Ca3Sc2Si3O12
*         E.8.21. Lu2CaMg2Si3O12
*
********************************************************************************
*         E.8.01. Y3Al5O12 (YAG)
********************************************************************************
*           E.8.01.a. Y3Al5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=12.000A, x=-0.0306, =0.0512, z=0.1500)
*             Embedding potentials:
*                    J. Gracia et al., J. Lumin., 128(2008)1248.
*                    Out of SCEI DKH-HF calculations
*             /Y.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-Y.
*             /Al.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-Al(oct).
*             /Al.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-Al(tet).
*             /Al.ECP.Gracia.11s8p.1s1p.0e-AIMP-Y3Al5O12-Al(tet).
*             /O.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-O.
********************************************************************************
/Y.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-Y.
J. Gracia et al., J. Lumin., 128(2008)1248.
Embedding AIMP of Y(3+) in Y3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  388070.0000      64784.00000      16202.00000      4773.900000
  1549.300000      543.0700000      201.2600000      87.22300000
  30.64200000      11.17220000      4.954500000      1.488000000
 0.7859700000
 0.9959940948E-01 0.1121543269     0.1999511662     0.3465216865
 0.5476304414     0.6161757923     0.9253843245      1.619946117
  1.064944586      3.283461932     0.9918829773      1.365455742
 0.8268914979
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1231.827580      171.1832608      29.13033963      3.889624562
  22535.50000      3394.400000      769.3080000      207.1720000
  309.4710000      35.23740000      14.99810000      27.48500000
  4.753340000      2.129620000      3.441250000     0.6778690000
 0.2881100000     0.3732010000     0.5311200000E-01 0.2174400000E-01
 -0.016450622887 -0.005235405027 -0.002155981358  0.000800126785
 -0.118754808361 -0.039875308437 -0.016570121970  0.006161688751
 -0.410184464382 -0.157737517544 -0.066445796124  0.024737908581
 -0.442089434944 -0.220095179495 -0.095784908373  0.035699120857
 -0.097580663135 -0.087727113500 -0.042130928171  0.016187688212
 -0.368549779523  0.723463911438  0.422381837373 -0.162720817715
 -0.126108056419  0.469858283827  0.306611292993 -0.118860243430
  0.403539638843 -0.069686811784  0.135707480518 -0.075746288269
  0.133364027124 -0.037099973650 -1.040633340034  0.507299977703
  0.059063998127 -0.035141787440 -0.509474032238  0.276156525417
 -0.155239581199  0.076408247735  0.241460620039  0.173353381989
 -0.020926323447  0.014466783720  0.046667274092 -0.945437549153
 -0.017294011276  0.012545858564  0.052704527723 -0.463038766779
  0.029217692869 -0.021004475407 -0.086680770412  0.077653151829
  0.000777434263 -0.000588800329 -0.002258643987  0.038391934537
 -0.000304429245  0.000232310992  0.000885625410 -0.011365490253
   10    3    6    6    6
  155.9319927      23.33275830      2.129580085
  987.0300000      232.0540000      72.33480000      24.87860000
  11.45280000      4.717860000      2.027620000      1.093910000
 0.4690800000     0.1901090000
 -0.025905077634 -0.011034372127 -0.003810947431
 -0.170588913248 -0.076457980032 -0.026592739490
 -0.493620235398 -0.238468539120 -0.084090221216
 -0.453731204167 -0.209712752335 -0.072326967602
 -0.012460241278  0.359498961982  0.159285483934
 -0.045428609466  0.610054558164  0.310826849293
  0.034709974805  0.221016748863  0.064766765833
 -0.023304909805 -0.005407608751 -0.431146533375
  0.008455322564  0.007247073064 -0.649199342983
 -0.002292867421 -0.001794709379 -0.082711554965
    7    1   10
  12.79405387
  93.48480000      26.40650000      8.826900000      2.931690000
  1.301810000     0.3877800000     0.1036240000
 -0.049043414602
 -0.253215963461
 -0.532085551226
 -0.391809167574
 -0.027057874459
 -0.016042212058
  0.004261478279
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-Al(oct).
J. Gracia et al., J. Lumin., 128(2008)1248.
Embedding AIMP of Alo(3+) in Y3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  372971.1700      57385.37550      13169.30800      3619.437590
  1148.006930      394.6778150      149.5069970      60.26483830
  23.41066380      9.773332000      4.340800000      1.918320000
 0.2198396561E-01 0.2664649099E-01 0.4917698520E-01 0.8352965447E-01
 0.1414147658     0.2358767843     0.3162764399     0.3088107353
 0.3504151209     0.7585280647     0.8198342843     0.2208400419
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.9777773      9.729080356
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666371130  0.001486506195
  0.042199413679  0.011030434845
  0.190348383886  0.054794888632
  0.462112388398  0.144544700036
  0.382433145576  0.138661219352
  0.043210995863  0.073514006068
  0.051211616822 -0.603790575593
  0.066183999736 -0.528489198799
 -0.088877922282  0.018397912372
 -0.002568568829 -0.014521656893
  0.000991842024  0.010892406627
    8    1    6
  6.372830994
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013939929844
 -0.091713664713
 -0.297452924072
 -0.500118535077
 -0.311270080010
 -0.012287074848
  0.005097063584
 -0.000383339073
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-Al(tet).
J. Gracia et al., J. Lumin., 128(2008)1248.
Embedding AIMP of Alt(3+) in Y3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198296782E-01 0.2672891451E-01 0.4917923955E-01 0.8370143819E-01
 0.1416763226     0.2364146098     0.3169277351     0.3096668351
 0.3520352589     0.7606783183     0.8128554494     0.2214862442
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.8205293      9.570924581
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666385934  0.001486557396
  0.042199468120  0.011032212602
  0.190349103417  0.054792001426
  0.462111100117  0.144634427710
  0.382422811403  0.138962456441
  0.043220891941  0.073271048494
  0.051226912519 -0.605364614906
  0.066346311525 -0.543715434703
 -0.089034861478  0.033035653916
 -0.002614040360 -0.010448459137
  0.001001867473  0.009974486812
    8    1    6
  6.216092921
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013937393067
 -0.091680869771
 -0.297420306543
 -0.499760667660
 -0.311755255302
 -0.012875247985
  0.006574702980
 -0.000488126629
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Gracia.11s8p.1s1p.0e-AIMP-Y3Al5O12-Al(tet).
J. Gracia et al., J. Lumin., 128(2008)1248.
Embedding AIMP of Alt(3+) in Y3Al5O12 with orthogonality orbitals
   3.000    1
   11    1
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
   0.001486557396
   0.011032212602
   0.054792001426
   0.144634427710
   0.138962456441
   0.073271048494
  -0.605364614906
  -0.543715434703
   0.033035653916
  -0.010448459137
   0.009974486812
    8    1
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013937393067
 -0.091680869771
 -0.297420306543
 -0.499760667660
 -0.311755255302
 -0.012875247985
  0.006574702980
 -0.000488126629
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198296782E-01 0.2672891451E-01 0.4917923955E-01 0.8370143819E-01
 0.1416763226     0.2364146098     0.3169277351     0.3096668351
 0.3520352589     0.7606783183     0.8128554494     0.2214862442
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.8205293      9.570924581
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666385934  0.001486557396
  0.042199468120  0.011032212602
  0.190349103417  0.054792001426
  0.462111100117  0.144634427710
  0.382422811403  0.138962456441
  0.043220891941  0.073271048494
  0.051226912519 -0.605364614906
  0.066346311525 -0.543715434703
 -0.089034861478  0.033035653916
 -0.002614040360 -0.010448459137
  0.001001867473  0.009974486812
    8    1    6
  6.216092921
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013937393067
 -0.091680869771
 -0.297420306543
 -0.499760667660
 -0.311755255302
 -0.012875247985
  0.006574702980
 -0.000488126629
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Gracia.0s.0s.0e-AIMP-Y3Al5O12-O.
J. Gracia et al., J. Lumin., 128(2008)1248.
Embedding AIMP of O(2-) in Y3Al5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2176772692E-01 -.3180710258E-01 -.6531869532E-01 -.1218572016
 -.2184493311     -.3840434358     -.5101913931     -.4591120433
 -.7587440903     -1.302195929     -1.057599586     -.6891346470E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.32809097      1.975006447
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201985816  0.001319762401
  0.045638881291  0.009615426388
  0.200053532534  0.046774419137
  0.473801182972  0.115165895617
  0.380745526304  0.099736526978
  0.028981677982  0.068302011390
  0.024655611632 -0.466605612731
 -0.005630659656 -0.638378785651
    6    1    6
 0.5178933102
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013149860072
 -0.085196709628
 -0.249038097469
 -0.435837377500
 -0.511844812659
  0.093253886725
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.02. Gd3Al5O12 (GdAG)
********************************************************************************
*           E.8.02.a. Gd3Al5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=12.113A, x=-0.0311, =0.0509, z=0.1490)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Gd.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-Gd.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-Al(oct).
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-Al(tet).
*             /Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Gd3Al5O12-Al(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-O.
********************************************************************************
/Gd.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-Gd.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gd(3+) in Gd3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  523280.0000      106622.0000      31433.00000      10437.90000
  3770.900000      1399.020000      535.5900000      242.6800000
  84.03300000      42.60000000      8.721600000      5.341600000
  2.229680000      1.091980000     0.5877100000
 0.1803616534     0.1695674148     0.2813291676     0.4419395416
 0.6124732674     0.7658005319      1.342356925      1.685646186
  1.480384505      3.979748741      3.356753456      2.530144846
  1.289745122      1.776850132     0.4402318437
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  3706.509237      621.1618627      141.5091250      30.15862386
  4.149367482
 0.3700172100E+11  4423337400.      736627460.0      157466940.0
  39988049.00      11295642.00      3442911.200      1134401.600
  396957.8400      146564.4700      56594.52400      22562.05300
  9206.733200      3830.103100      1630.518600      716.1974000
  325.1370300      141.1383600      65.40259600      26.42438900
  13.67116900      5.375686200      2.679150400     0.7681474100
 0.3539498300     0.6287505600E-01 0.2555431900E-01
 -0.000000917332 -0.000000349079 -0.000000146245  0.000000080682 -0.000000028044
  0.000003986801  0.000001516565  0.000000635878 -0.000000350434  0.000000121948
 -0.000014205728 -0.000005391780 -0.000002271839  0.000001243952 -0.000000435682
  0.000054650712  0.000020522913  0.000008850704 -0.000004699173  0.000001694905
  0.000441243445  0.000158241549  0.000075196169 -0.000035000285  0.000014263445
  0.000565846113  0.000209735118  0.000093340545 -0.000047531092  0.000017858509
  0.001522767147  0.000544739735  0.000261762891 -0.000120008515  0.000049422096
  0.002956203883  0.001096648910  0.000492140422 -0.000248215581  0.000094834841
  0.006031192580  0.002179540528  0.001043016756 -0.000481210592  0.000193815074
  0.011940541599  0.004446368088  0.002038865431 -0.001004874943  0.000407357463
  0.023817954676  0.008874913470  0.004168001905 -0.001990301249  0.000797298007
  0.048161102026  0.018485456186  0.008621256954 -0.004174941578  0.001682996373
  0.098177110031  0.038894250051  0.018373444361 -0.008856296924  0.003562950129
  0.191812863794  0.082367511868  0.039115853062 -0.018986194300  0.007653729141
  0.315420293649  0.154019808611  0.075529538022 -0.036697718449  0.014797469753
  0.335137793082  0.212121626840  0.107188958949 -0.053005422288  0.021454196854
  0.150182418755  0.041586014109  0.019831225301 -0.008751994956  0.003468580986
  0.011788706404 -0.489049769067 -0.398055510955  0.215917218165 -0.089301370208
 -0.000097179987 -0.569452043387 -0.612596712327  0.372304405742 -0.158164425321
 -0.000175566363 -0.104812637293  0.413913904023 -0.385204964353  0.179879324721
  0.000095791459  0.017283488901  0.847326566305 -1.020280252404  0.510706747280
 -0.000055236424 -0.006053004682  0.124799503369  0.559602870815 -0.413009388359
  0.000034470271  0.002946985411 -0.017322298994  0.893093342917 -0.838333262119
 -0.000011942629 -0.000945655554  0.004583326215  0.060660050600  0.749680058254
  0.000005480747  0.000456510702 -0.002193332290 -0.013808107253  0.637894421872
 -0.000001432741 -0.000114993910  0.000516296570  0.002359993324 -0.017182494232
  0.000000716130  0.000053174047 -0.000236544306 -0.001072853329  0.001731356661
   23    4    6    6    6    6
  553.6296824      120.0167897      22.83113287      2.108110882
  52152768.00      7440218.200      1535484.400      390559.5700
  115469.6900      38541.38300      14246.67200      5740.201200
  2485.279400      1142.789900      552.6307600      278.5198000
  145.3092600      77.64298100      41.88607700      22.88097100
  12.55486200      6.669495900      3.480984200      1.766148600
 0.8173020900     0.3708105400     0.1513552600
  0.000000450550 -0.000000179853 -0.000000161179  0.000000032387
 -0.000019254382  0.000009293132  0.000004733802  0.000001262271
 -0.000049081981  0.000024789763  0.000010631040  0.000005053838
 -0.000141218580  0.000068271722  0.000034792721  0.000008978437
 -0.000383475875  0.000190630836  0.000088611977  0.000035932417
 -0.001055753660  0.000522725188  0.000249457606  0.000090087274
 -0.002945442740  0.001466983196  0.000696360279  0.000260322484
 -0.008318426427  0.004171221661  0.001985687961  0.000732400508
 -0.023197090052  0.011767048508  0.005616477507  0.002093227900
 -0.061008057070  0.031616148947  0.015153804994  0.005598765877
 -0.140829645177  0.075536198830  0.036521066167  0.013664284592
 -0.260083869311  0.146567303048  0.071619769120  0.026483898596
 -0.339961818363  0.199295358752  0.098645976451  0.037411171768
 -0.259693238380  0.099353790403  0.039712682452  0.012823570633
 -0.088837114314 -0.226375285585 -0.162562977459 -0.062523741049
 -0.008217531458 -0.508767522448 -0.398157871214 -0.169390680402
 -0.000643771558 -0.339817212692 -0.198715002881 -0.060940320854
  0.000336548402 -0.068756233603  0.420038476428  0.214518256320
 -0.000061072151 -0.002350922134  0.603824258238  0.400946572378
  0.000063619025 -0.000753899575  0.207353015899 -0.014837515303
 -0.000024282625  0.000202056642  0.012085276756 -0.532476444918
  0.000009090421 -0.000079096204  0.001326638786 -0.582952389193
 -0.000002196269  0.000026917816  0.000607676238 -0.012323478086
   15    2   10   10
  91.02284919      12.31824716
  19762.54400      4952.939600      1693.281500      698.3871200
  305.4837600      140.5349200      67.86090500      33.70837200
  17.12325000      8.614081100      4.198487800      1.950851800
 0.7805844900     0.2816736100     0.9055903700E-01
 -0.000035516954 -0.000016832536
 -0.000284611283 -0.000136390178
 -0.001625426450 -0.000773518567
 -0.007971422446 -0.003846498557
 -0.034452741222 -0.016652095428
 -0.112760560998 -0.055798412441
 -0.260372872329 -0.129200889699
 -0.388612899826 -0.186146689080
 -0.311303568579 -0.067985944645
 -0.098885908138  0.292213270736
 -0.007317980946  0.514715176001
 -0.000565949399  0.306318148151
  0.000057615978  0.044647014135
 -0.000044471753 -0.001239019014
  0.000012315337  0.000294735260
   10    1    7
 0.1339534288
  383.5737200      131.6883000      56.21669300      26.30729400
  12.94802400      6.444507800      3.133485100      1.469537900
 0.6527711300     0.2616560700
 -0.000585915716
 -0.005123491668
 -0.024738723971
 -0.076955494593
 -0.174882002015
 -0.280264010347
 -0.328001180837
 -0.286324334038
 -0.183707535891
 -0.081264752271
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-Al(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alo(3+) in Gd3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  372971.1700      57385.37550      13169.30800      3619.437590
  1148.006930      394.6778150      149.5069970      60.26483830
  23.41066380      9.773332000      4.340800000      1.918320000
 0.2198601566E-01 0.2664426227E-01 0.4918798802E-01 0.8351453860E-01
 0.1414585829     0.2358158171     0.3164241946     0.3086037183
 0.3508531874     0.7579333632     0.8209024114     0.2200092539
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.9206131      9.672177504
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666366658  0.001486661712
  0.042199371374  0.011032092946
  0.190348217432  0.054798868018
  0.462111496335  0.144590332067
  0.382432353231  0.138785624237
  0.043211640426  0.073431792116
  0.051220350374 -0.604318179456
  0.066230299669 -0.532543442025
 -0.088926287733  0.022206698320
 -0.002581343362 -0.012903090173
  0.000995653812  0.010359498240
    8    1    6
  6.316689207
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013941262953
 -0.091716417879
 -0.297487264174
 -0.500107928608
 -0.311543013766
 -0.011872942218
  0.005549483693
 -0.000196930915
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alt(3+) in Gd3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198558381E-01 0.2672706591E-01 0.4919194286E-01 0.8368693252E-01
 0.1417257126     0.2363538313     0.3170913375     0.3094531129
 0.3525295979     0.7600683892     0.8141049273     0.2204148995
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.8430226      9.593594386
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666377456  0.001486797164
  0.042199407348  0.011034251257
  0.190348739040  0.054799937297
  0.462110407342  0.144673610111
  0.382424287303  0.139044456869
  0.043219362730  0.073235844078
  0.051234158755 -0.605672106253
  0.066373544355 -0.545597600737
 -0.089064305983  0.034589707915
 -0.002626385081 -0.008764368036
  0.001008666819  0.009030859566
    8    1    6
  6.239903739
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013939462298
 -0.091687515319
 -0.297471251640
 -0.499779530613
 -0.312110648522
 -0.011882592670
  0.006307419307
 -0.000454115244
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Gd3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alt(3+) in Gd3Al5O12 with orthogonality orbitals
   3.000    1
   11    1
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
   0.001486797164
   0.011034251257
   0.054799937297
   0.144673610111
   0.139044456869
   0.073235844078
  -0.605672106253
  -0.545597600737
   0.034589707915
  -0.008764368036
   0.009030859566
    8    1
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013939462298
 -0.091687515319
 -0.297471251640
 -0.499779530613
 -0.312110648522
 -0.011882592670
  0.006307419307
 -0.000454115244
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198558381E-01 0.2672706591E-01 0.4919194286E-01 0.8368693252E-01
 0.1417257126     0.2363538313     0.3170913375     0.3094531129
 0.3525295979     0.7600683892     0.8141049273     0.2204148995
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.8430226      9.593594386
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666377456  0.001486797164
  0.042199407348  0.011034251257
  0.190348739040  0.054799937297
  0.462110407342  0.144673610111
  0.382424287303  0.139044456869
  0.043219362730  0.073235844078
  0.051234158755 -0.605672106253
  0.066373544355 -0.545597600737
 -0.089064305983  0.034589707915
 -0.002626385081 -0.008764368036
  0.001008666819  0.009030859566
    8    1    6
  6.239903739
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013939462298
 -0.091687515319
 -0.297471251640
 -0.499779530613
 -0.312110648522
 -0.011882592670
  0.006307419307
 -0.000454115244
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Gd3Al5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Gd3Al5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2175868911E-01 -.3178360596E-01 -.6530668148E-01 -.1217507468
 -.2184347872     -.3837134172     -.5101962409     -.4581350570
 -.7591205749     -1.294889646     -1.063744852     -.7116570074E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.38175566      2.021841725
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202079924  0.001318677222
  0.045639536405  0.009600066527
  0.200057276910  0.046762241136
  0.473808138252  0.114653180678
  0.380728339632  0.098241006820
  0.028999012808  0.069500241067
  0.024613968905 -0.463877833160
 -0.005602898282 -0.640628816518
    6    1    6
 0.5643766011
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013151073429
 -0.085024091621
 -0.249455255599
 -0.432581818926
 -0.515552569279
  0.093739930792
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.03. Er3Al5O12 (ErAG)
********************************************************************************
*           E.8.03.a. Er3Al5O12
*             Structure:
*                    B.Etschmann et al., Acta Cryst Sec B 57(2) (2001) 136-141
*                    (Ia-3d; a=11.9928, x=-0.03039, =0.05124, z=0.14915)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Er.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-Er.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-Al(oct).
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-Al(tet).
*             /Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Er3Al5O12-Al(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-O.
********************************************************************************
/Er.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-Er.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Er(3+) in Er3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  525610.0000      107604.0000      31856.00000      10585.90000
  3817.400000      1410.390000      553.9600000      256.8000000
  88.30300000      48.24700000      10.23460000      5.658800000
  2.156780000      1.064180000     0.5717600000
 0.1985680216     0.1858236785     0.3071453369     0.4780853047
 0.6465722713     0.8256610922      1.474356458      1.590874988
  1.767838831      3.760195434      4.023514287      2.861334982
  1.775952150      1.536042019     0.2347018090
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  4240.028499      722.4049857      166.2304541      34.98838383
  4.563523160
 0.6815423700E+11  6494725000.      1053434400.      219738650.0
  52529925.00      14149958.00      4252331.200      1345509.500
  449307.9100      159715.3600      59453.99700      23261.38600
  9501.942300      4026.108900      1769.092400      799.3869800
  370.1864100      162.5686600      75.86811200      30.97710400
  16.02521600      6.376377900      3.116806700     0.8540113000
 0.3782035200     0.6099377000E-01 0.2496815400E-01
  0.000000038382 -0.000000003051 -0.000000012028 -0.000000001935  0.000000001184
 -0.000000193814  0.000000016641  0.000000060132  0.000000009197 -0.000000005963
  0.000000784853 -0.000000096870 -0.000000229167 -0.000000023589  0.000000024109
 -0.000004366573  0.000001053216  0.000001025241 -0.000000107100 -0.000000136110
  0.000514017863 -0.000188197828 -0.000089623955  0.000042370467  0.000016569580
  0.000633177733 -0.000237432825 -0.000107987005  0.000054742566  0.000020548357
  0.001659006553 -0.000606198143 -0.000291620661  0.000135840456  0.000053417128
  0.003434239064 -0.001289519287 -0.000590793074  0.000296682339  0.000112924520
  0.007023071866 -0.002593744251 -0.001242970484  0.000583365432  0.000224077376
  0.014160212576 -0.005357006759 -0.002493483639  0.001229667519  0.000495257736
  0.028362040562 -0.010792460285 -0.005111189786  0.002463570551  0.000962200016
  0.055881102659 -0.021916823359 -0.010341211792  0.005039349006  0.001995406732
  0.109180344383 -0.044379949514 -0.021202136984  0.010293825650  0.004057815852
  0.199728175758 -0.088284165550 -0.042445646024  0.020760375393  0.008207614793
  0.308285763817 -0.154542137779 -0.076781555609  0.037570293462  0.014859225954
  0.318441210553 -0.203491203176 -0.103852511374  0.051784422047  0.020543558787
  0.144321405832 -0.029158920219 -0.011759900559  0.004477701160  0.001723523045
  0.012460632748  0.486550382121  0.403599777113 -0.221303765434 -0.089927346574
 -0.000364601702  0.564279485928  0.611808059000 -0.376033935847 -0.156522930471
 -0.000000378336  0.105513788496 -0.422156499029  0.404491895678  0.185038051363
 -0.000019237816 -0.016953045088 -0.845641518235  1.021799479935  0.502289509415
  0.000001305908  0.005783424978 -0.121218247849 -0.586960818652 -0.426107810173
  0.000005843354 -0.002651843473  0.014596042282 -0.881406551011 -0.798260089307
 -0.000001927868  0.000800216769 -0.003674520749 -0.054367982505  0.800523587903
  0.000000394955 -0.000376874846  0.001718400706  0.012521284014  0.569925172849
 -0.000000143927  0.000096591557 -0.000412897972 -0.002320896213 -0.012567709870
  0.000000134224 -0.000046711108  0.000197922384  0.001108551203  0.000898752647
   23    4    6    6    6    6
  640.5155862      140.6644629      26.33341537      2.247593505
  53962859.00      7689113.000      1583279.600      401396.9400
  118187.0800      39214.58900      14420.88000      5787.044400
  2495.811600      1143.878000      551.7695900      277.7404900
  145.0434300      77.62746100      41.89157900      23.20015700
  12.83752400      6.998895500      3.739198200      1.927785900
 0.9125030400     0.4149417000     0.1723135700
  0.000000654856  0.000000403190  0.000000089652  0.000000121276
  0.000024702321  0.000011983796  0.000006170604  0.000001669451
  0.000063165787  0.000032644088  0.000014101886  0.000006117256
  0.000181190597  0.000088086746  0.000045387668  0.000011897094
  0.000490014536  0.000247545650  0.000115889581  0.000045037773
  0.001346360784  0.000675805322  0.000325209065  0.000114245105
  0.003731636437  0.001886946787  0.000902598186  0.000326285828
  0.010452707818  0.005324267597  0.002557100755  0.000915833409
  0.028825038286  0.014881798461  0.007161106368  0.002581090165
  0.074373155027  0.039317206419  0.019038263410  0.006834721581
  0.165789112140  0.091019885597  0.044424573172  0.016069080883
  0.288294364026  0.166618317837  0.082486712318  0.029687367224
  0.339338351140  0.198843679732  0.098459951254  0.035953363363
  0.221028586820  0.038610742232  0.003409503059 -0.000844987065
  0.059169972464 -0.320920181518 -0.235225312787 -0.090064281081
  0.003383572627 -0.504191344383 -0.405783902636 -0.165778647625
  0.000507593133 -0.259336726904 -0.068112269835 -0.001975626062
 -0.000323098664 -0.040304205643  0.490227814060  0.246863255584
  0.000068514862 -0.002582214606  0.540218009192  0.348228167038
 -0.000054189488 -0.000092136509  0.166631821591 -0.053391263237
  0.000020581784 -0.000058825647  0.009091589688 -0.521374455707
 -0.000007316864  0.000020665904  0.001217511659 -0.555070383907
  0.000001788611 -0.000002080911  0.000414902428 -0.038209063940
   15    2   10   10
  107.7325921      14.31256048
  16417.39100      4243.158500      1504.243400      624.5190000
  285.2500700      138.8301100      70.91460500      37.41041800
  20.25288000      10.98436500      5.850306200      3.076831600
  1.569470200     0.7294560600     0.2119263500
 -0.000067394509  0.000032509320
 -0.000491307894  0.000238170121
 -0.002767553631  0.001342111958
 -0.012779192871  0.006255374872
 -0.046886992489  0.023125814064
 -0.132025825889  0.066523563353
 -0.265999224781  0.133948043388
 -0.360102712828  0.172720490055
 -0.281876547884  0.061411551397
 -0.104650853626 -0.229184178041
 -0.013993024680 -0.436381930623
 -0.000901534965 -0.351104858858
 -0.000158079543 -0.127303893352
 -0.000045497721 -0.015656252153
 -0.000002046170 -0.000189796479
   10    1   11
 0.7108756672
  381.1632200      130.8142600      56.03233700      26.27419500
  12.97999000      6.460467000      3.150351700      1.468914200
 0.6328070700     0.2362446200
  0.000953933993
  0.008062984464
  0.036339430313
  0.106298677530
  0.217016968107
  0.306564605350
  0.321322497215
  0.254545719863
  0.143217692837
  0.036799001958
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-Al(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alo(3+) in Er3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  372971.1700      57385.37550      13169.30800      3619.437590
  1148.006930      394.6778150      149.5069970      60.26483830
  23.41066380      9.773332000      4.340800000      1.918320000
 0.2198254806E-01 0.2664787894E-01 0.4916958515E-01 0.8353936549E-01
 0.1413854432     0.2359163505     0.3161776485     0.3089485411
 0.3501218957     0.7589264459     0.8190837669     0.2214338639
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.9560579      9.707007407
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666376151  0.001486365336
  0.042199459832  0.011028952256
  0.190348569031  0.054791224605
  0.462113340400  0.144504560497
  0.382433848233  0.138552397977
  0.043210449430  0.073585293256
  0.051202572777 -0.603341658305
  0.066137850889 -0.525122413437
 -0.088829370321  0.015246463416
 -0.002554444000 -0.016092234124
  0.000983901548  0.011688638112
    8    1    6
  6.350176580
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013939133879
 -0.091712811794
 -0.297432152143
 -0.500125068070
 -0.311063822073
 -0.012678012088
  0.004577818860
  0.000766919120
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alt(3+) in Er3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198124252E-01 0.2673134573E-01 0.4916919572E-01 0.8371684456E-01
 0.1416355736     0.2364753971     0.3167885669     0.3098765570
 0.3516236985     0.7613060820     0.8117974067     0.2222314231
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.8404405      9.590975969
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666388501  0.001486340939
  0.042199509200  0.011029922630
  0.190349166349  0.054786373294
  0.462112453034  0.144571829254
  0.382425754325  0.138793425066
  0.043218174690  0.073381684931
  0.051213079131 -0.604599691153
  0.066258582105 -0.537493431134
 -0.088945296371  0.027219751693
 -0.002586817808 -0.012946850446
  0.000990329478  0.010848565450
    8    1    6
  6.234737711
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013936882522
 -0.091685501504
 -0.297401246715
 -0.499831237390
 -0.311419877836
 -0.013221629777
  0.005794257495
  0.000375814512
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Er3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alt(3+) in Er3Al5O12 with orthogonality orbitals
   3.000    1
   11    1
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
   0.001486340939
   0.011029922630
   0.054786373294
   0.144571829254
   0.138793425066
   0.073381684931
  -0.604599691153
  -0.537493431134
   0.027219751693
  -0.012946850446
   0.010848565450
    8    1
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013936882522
 -0.091685501504
 -0.297401246715
 -0.499831237390
 -0.311419877836
 -0.013221629777
  0.005794257495
  0.000375814512
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198124252E-01 0.2673134573E-01 0.4916919572E-01 0.8371684456E-01
 0.1416355736     0.2364753971     0.3167885669     0.3098765570
 0.3516236985     0.7613060820     0.8117974067     0.2222314231
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.8404405      9.590975969
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666388501  0.001486340939
  0.042199509200  0.011029922630
  0.190349166349  0.054786373294
  0.462112453034  0.144571829254
  0.382425754325  0.138793425066
  0.043218174690  0.073381684931
  0.051213079131 -0.604599691153
  0.066258582105 -0.537493431134
 -0.088945296371  0.027219751693
 -0.002586817808 -0.012946850446
  0.000990329478  0.010848565450
    8    1    6
  6.234737711
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013936882522
 -0.091685501504
 -0.297401246715
 -0.499831237390
 -0.311419877836
 -0.013221629777
  0.005794257495
  0.000375814512
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Er3Al5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Er3Al5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2176606811E-01 -.3180713648E-01 -.6531016150E-01 -.1218615432
 -.2184162577     -.3840597788     -.5100999142     -.4592414887
 -.7582972445     -1.302188713     -1.058202465     -.6874922902E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.28744534      1.936494479
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201990834  0.001318991902
  0.045638879638  0.009608119356
  0.200053998492  0.046752643451
  0.473799242030  0.115000566176
  0.380738286868  0.099343690018
  0.028988180152  0.068542156348
  0.024653435853 -0.465324178922
 -0.005617102524 -0.639478124830
    6    1    6
 0.4770521825
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013148638202
 -0.085226601650
 -0.248952164516
 -0.435996161302
 -0.511757254835
  0.093342274785
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.04. Yb3Al5O12 (YbAG)
********************************************************************************
*           E.8.04.a. Yb3Al5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=11.931A, x=-0.0296, =0.0529, z=0.1504)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Yb.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-Yb.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-Al(oct).
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-Al(tet).
*             /Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Yb3Al5O12-Al(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-O.
********************************************************************************
/Yb.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-Yb.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Yb(3+) in Yb3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  499890.0000      97959.00000      28077.00000      9139.200000
  3222.900000      1151.840000      464.5700000      213.4200000
  77.56500000      47.72800000      10.81590000      5.650200000
  2.113180000      1.031310000     0.5557800000
 0.2159281868     0.2109315607     0.3501844873     0.5382529384
 0.7089071980     0.9846735068      1.755026912      1.268239739
  2.544818265      2.842389692      4.524440829      2.894619179
  1.979815758      1.367404517     0.1477005716
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  4522.983009      776.6301156      179.4378952      37.53526591
  4.785966182
 0.7167191700E+11  6852841700.      1106179400.      229631520.0
  55103176.00      14844859.00      4330035.300      1362292.700
  455129.5400      160284.0500      59517.78700      23205.18500
  9486.296400      4034.797200      1776.829900      806.2923500
  375.3039600      170.0975800      80.21751000      33.23581400
  17.20624400      6.885913100      3.358038400     0.9118131500
 0.3990368400     0.6304972100E-01 0.2556606500E-01
  0.000000972204  0.000000353668  0.000000177809 -0.000000077653  0.000000033643
 -0.000004784466 -0.000001740516 -0.000000875023  0.000000382167 -0.000000165552
  0.000016802653  0.000006112463  0.000003073077 -0.000001342084  0.000000581377
 -0.000048255750 -0.000017549205 -0.000008830014  0.000003851123 -0.000001670933
  0.000110573442  0.000040081844  0.000020343985 -0.000008744541  0.000003862787
  0.001261511436  0.000472380180  0.000219018368 -0.000109051117  0.000040812384
  0.001371754353  0.000506977475  0.000246540614 -0.000113853297  0.000045498006
  0.004190320165  0.001579558824  0.000729232984 -0.000366092727  0.000137843805
  0.007372931088  0.002758025462  0.001327826337 -0.000624627706  0.000239987868
  0.015890996774  0.006056896251  0.002834074960 -0.001399679447  0.000555251012
  0.030769564654  0.011848262131  0.005637609136 -0.002725246917  0.001057284517
  0.060913075109  0.024149861402  0.011452853629 -0.005596005246  0.002193970735
  0.116213901661  0.047964103045  0.023041445661 -0.011217282074  0.004382762405
  0.209027963974  0.093836773022  0.045387171599 -0.022271208614  0.008725489945
  0.313046402591  0.160632643712  0.080413442198 -0.039460520235  0.015465025127
  0.307688146961  0.198188009134  0.101677240264 -0.050939430773  0.020033050022
  0.129087263184  0.005372303952 -0.002887272143  0.003345724483 -0.001415147991
  0.009643850925 -0.494583283702 -0.417684762093  0.230228020017 -0.092745960253
  0.000214360278 -0.548253729443 -0.597701319211  0.370641130663 -0.153071007984
 -0.000283623648 -0.100533155255  0.440384984477 -0.428013413806  0.194484380408
  0.000148172201  0.015222322196  0.835473349729 -1.009071372064  0.490774861564
 -0.000073758337 -0.005103608344  0.119006445937  0.598170210545 -0.428496269898
  0.000041652913  0.002305623842 -0.014020117270  0.873974812115 -0.781679214498
 -0.000012948638 -0.000677690194  0.003507960075  0.054199233647  0.794086524397
  0.000005368020  0.000314596818 -0.001627382237 -0.012664842694  0.569009493368
 -0.000001388143 -0.000080277983  0.000390740735  0.002396883431 -0.011904109051
  0.000000820951  0.000039110428 -0.000187774116 -0.001157673797  0.000627461360
   23    4    6    6    6    6
  686.5082184      151.5664734      28.14424332      2.323320724
  54522375.00      7756402.200      1591450.300      401990.8200
  118400.3300      39288.98900      14434.44400      5789.641700
  2497.817000      1143.668800      551.5359100      277.6847600
  144.9833300      77.52811200      41.79454800      23.21254600
  12.92239700      7.019198300      3.751671900      1.930185600
 0.9226218900     0.4216174200     0.1753719100
 -0.000001387232 -0.000000753193  0.000000264954  0.000000165833
 -0.000027914767 -0.000013752789  0.000007012010  0.000001994124
 -0.000072371201 -0.000037185919  0.000016437752  0.000006677459
 -0.000205824200 -0.000101695034  0.000051857105  0.000014371815
 -0.000555587446 -0.000281712857  0.000132766340  0.000050039259
 -0.001520187787 -0.000768630119  0.000370688827  0.000128820820
 -0.004201940295 -0.002139152798  0.001026603959  0.000365082234
 -0.011677658678 -0.005992751681  0.002887715919  0.001019361233
 -0.031964396804 -0.016638387612  0.008033191731  0.002850842799
 -0.081634615796 -0.043569301031  0.021182336430  0.007494737115
 -0.178290063936 -0.098948753444  0.048487819893  0.017270398769
 -0.300725246212 -0.175801611278  0.087485049136  0.031042890408
 -0.336123217168 -0.194972198215  0.096173910816  0.034521744415
 -0.201435833140 -0.003332570263 -0.018516416565 -0.008925755782
 -0.046963374046  0.368079153396 -0.273787282388 -0.103993279761
 -0.002135933951  0.488741391830 -0.395063569684 -0.158377882045
 -0.000316366375  0.220337810278  0.007857111741  0.032159833657
  0.000226500359  0.030843206467  0.529564627380  0.265533276862
 -0.000028601440  0.001471723791  0.500452173327  0.319811579941
  0.000029722109  0.000284739541  0.134534776975 -0.100230919499
 -0.000011109369 -0.000042536026  0.006292586817 -0.523411324047
  0.000003689131  0.000019311961  0.001143226721 -0.530210782583
 -0.000000857118  0.000008511859 -0.000393024542 -0.031733012834
   15    2   10   10
  116.5001085      15.32171548
  18187.93200      4693.706000      1574.519500      630.4675200
  284.5339500      138.5752100      70.87766300      37.39173500
  20.23540500      10.97915700      5.849528600      3.056691800
  1.522995800     0.6515698300     0.8572807700E-01
 -0.000065296375 -0.000031678537
 -0.000496457351 -0.000241841300
 -0.003095711288 -0.001510528516
 -0.014784091776 -0.007278538850
 -0.053387300308 -0.026531199803
 -0.145645237734 -0.073921733396
 -0.283480004120 -0.143323257298
 -0.364310961060 -0.172200322931
 -0.259987566513 -0.029673092444
 -0.085895375611  0.267112677428
 -0.010103074020  0.441218913145
 -0.000802301377  0.326043166484
 -0.000146607319  0.104881210951
 -0.000039314022  0.009190770007
  0.000000653884  0.000191174512
   10    1   13
  1.015983787
  936.4792500      236.1678500      88.82383000      38.89926000
  18.23438400      8.741668500      4.099379700      1.835545100
 0.7588106600     0.2727080100
  0.000193430844
  0.003146187611
  0.020637371760
  0.076074918288
  0.188458291179
  0.306660252028
  0.348499719087
  0.285350738429
  0.159554212983
  0.038894970279
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-Al(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alo(3+) in Yb3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  372971.1700      57385.37550      13169.30800      3619.437590
  1148.006930      394.6778150      149.5069970      60.26483830
  23.41066380      9.773332000      4.340800000      1.918320000
 0.2198276462E-01 0.2664807074E-01 0.4917016183E-01 0.8353982731E-01
 0.1413872085     0.2359171775     0.3161824758     0.3089496097
 0.3501404994     0.7589328584     0.8191336161     0.2213490634
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.9337418      9.684819934
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666374417  0.001486370543
  0.042199454495  0.011028879194
  0.190348479348  0.054791795504
  0.462113558001  0.144498296802
  0.382435189354  0.138529450698
  0.043209152565  0.073605028761
  0.051200482517 -0.603222041656
  0.066121047158 -0.524064547650
 -0.088812164666  0.014190540000
 -0.002551851990 -0.016171380237
  0.000984593531  0.011483075606
    8    1    6
  6.327877532
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
  0.013939530746
  0.091715745187
  0.297440152972
  0.500148814095
  0.311069318869
  0.012506544024
 -0.004368759977
 -0.000779117804
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alt(3+) in Yb3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198123579E-01 0.2673101373E-01 0.4916962472E-01 0.8371525679E-01
 0.1416376887     0.2364697856     0.3167966372     0.3098594923
 0.3516467143     0.7612504355     0.8118431768     0.2222322720
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.8487581      9.599314765
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666389460  0.001486332463
  0.042199511861  0.011029974858
  0.190349217198  0.054785662022
  0.462112318776  0.144577941135
  0.382424942874  0.138816917876
  0.043218941597  0.073360962937
  0.051214393843 -0.604716792098
  0.066270582767 -0.538604161551
 -0.088957170754  0.028314138045
 -0.002589294852 -0.012746495020
  0.000990563171  0.010866857506
    8    1    6
  6.243062870
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013936765925
 -0.091683933762
 -0.297399824956
 -0.499812977616
 -0.311437957808
 -0.013317831933
  0.006008080496
  0.000375480021
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Yb3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alt(3+) in Yb3Al5O12 with orthogonality orbitals
   3.000    1
   11    1
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
   0.001486332463
   0.011029974858
   0.054785662022
   0.144577941135
   0.138816917876
   0.073360962937
  -0.604716792098
  -0.538604161551
   0.028314138045
  -0.012746495020
   0.010866857506
    8    1
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013936765925
 -0.091683933762
 -0.297399824956
 -0.499812977616
 -0.311437957808
 -0.013317831933
  0.006008080496
  0.000375480021
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198123579E-01 0.2673101373E-01 0.4916962472E-01 0.8371525679E-01
 0.1416376887     0.2364697856     0.3167966372     0.3098594923
 0.3516467143     0.7612504355     0.8118431768     0.2222322720
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.8487581      9.599314765
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666389460  0.001486332463
  0.042199511861  0.011029974858
  0.190349217198  0.054785662022
  0.462112318776  0.144577941135
  0.382424942874  0.138816917876
  0.043218941597  0.073360962937
  0.051214393843 -0.604716792098
  0.066270582767 -0.538604161551
 -0.088957170754  0.028314138045
 -0.002589294852 -0.012746495020
  0.000990563171  0.010866857506
    8    1    6
  6.243062870
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013936765925
 -0.091683933762
 -0.297399824956
 -0.499812977616
 -0.311437957808
 -0.013317831933
  0.006008080496
  0.000375480021
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Yb3Al5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Yb3Al5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2176864535E-01 -.3181862800E-01 -.6530661676E-01 -.1219182401
 -.2183871253     -.3842386243     -.5099988702     -.4598327965
 -.7577466554     -1.305442921     -1.055922629     -.6761824745E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.28489169      1.937758953
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201952875  0.001318802953
  0.045638661178  0.009608200138
  0.200052457989  0.046740497074
  0.473798293673  0.115064242415
  0.380750953793  0.099606715215
  0.028975271873  0.068279451784
  0.024664384367 -0.465399436793
 -0.005622075779 -0.639446822698
    6    1    6
 0.4776803905
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013149449214
 -0.085328876219
 -0.248760668012
 -0.437401099258
 -0.510502178626
  0.094004846471
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.05. Lu3Al5O12 (LuAG)
********************************************************************************
*           E.8.05.a. Lu3Al5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=11.906A, x=-0.0294, =0.0537, z=0.1509)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Lu.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-Lu.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-Al(oct).
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-Al(tet).
*             /Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Lu3Al5O12-Al(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-O.
********************************************************************************
/Lu.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-Lu.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Lu(3+) in Lu3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  441130.0000      78986.00000      21089.00000      6510.300000
  2144.800000      727.2900000      305.4500000      95.42200000
  51.83800000      11.05620000      5.304800000      1.810700000
 0.8236900000
 0.2406104706     0.2557911349     0.4332980538     0.6520033132
 0.8507098755      1.482515705      1.855953958      2.131329431
  3.592325977      4.949328033      2.981965029      2.335286672
 0.9055490148
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  4669.345220      804.7914108      186.2968143      38.85973666
  4.911110268
 0.6701311900E+11  7216717800.      1171529200.      235233120.0
  55877724.00      14949778.00      4363017.000      1375340.500
  456540.5200      160435.3700      59637.10400      23233.14400
  9474.040900      4032.731300      1779.753900      807.8776800
  374.9260700      172.1622700      81.75905400      34.04620200
  17.67359800      7.084092600      3.479507300     0.9931652500
 0.4458321400     0.7721303500E-01 0.3053352200E-01
  0.000006147468 -0.000002298641  0.000001084758  0.000000527787  0.000000205528
  0.000020931236 -0.000007825322  0.000003692529  0.000001796663  0.000000699652
  0.000062010885 -0.000023178514  0.000010937943  0.000005321691  0.000002072335
  0.000163070534 -0.000060961145  0.000028764725  0.000013996176  0.000005450381
  0.000388421844 -0.000145244405  0.000068548197  0.000033350956  0.000012987222
  0.000880589308 -0.000329631346  0.000155562480  0.000075698766  0.000029479375
  0.001896176647 -0.000710914102  0.000335688331  0.000163331815  0.000063602768
  0.003969345446 -0.001493442687  0.000705264204  0.000343284722  0.000133697431
  0.008184691832 -0.003095083350  0.001463851515  0.000712378478  0.000277405269
  0.016333838844 -0.006239878052  0.002952617134  0.001438352161  0.000560325697
  0.032283113925 -0.012510543906  0.005944465047  0.002894356520  0.001127121231
  0.063253160249 -0.025215165649  0.012001072146  0.005859420997  0.002283953211
  0.120486791932 -0.050097667226  0.024118787560  0.011764713068  0.004582892412
  0.213420555007 -0.096617889557  0.046869527128  0.023031159219  0.008990737627
  0.315160709262 -0.163495423401  0.082156964845  0.040360253479  0.015746840034
  0.302937440426 -0.195808301155  0.100638233510  0.050561679335  0.019836956640
  0.121165887446  0.010653867137 -0.012959556875 -0.008847407776 -0.003686319892
  0.007604226790  0.503647696334 -0.431205817816 -0.238281891882 -0.095466685259
  0.000643299038  0.534048703218 -0.582627075169 -0.363848722735 -0.150196382309
 -0.000518051436  0.095840091949  0.464979231249  0.457497149119  0.208696155583
  0.000299807723 -0.014776590982  0.818850980269  0.986587100086  0.475266965253
 -0.000143522322  0.005047573108  0.115515753980 -0.614358772213 -0.432269411676
  0.000074003338 -0.002352465170 -0.014467231540 -0.857221692236 -0.774248057673
 -0.000024680531  0.000734593960  0.003858244377 -0.057443765367  0.701232280366
  0.000011744335 -0.000345602805 -0.001793849467  0.013001072604  0.655253861911
 -0.000003007997  0.000087080272  0.000424354203 -0.002437701304  0.001842660136
  0.000001383243 -0.000040014723 -0.000194856712  0.001124527090 -0.006179952375
   23    4    6    6    6    6
  710.1597660      157.1756064      29.07492326      2.371419858
  55602773.00      7765745.900      1589584.300      401810.9500
  118603.3400      39300.00000      14430.35400      5793.124600
  2497.821500      1143.717300      551.3977100      277.7501400
  145.0303300      77.44745600      41.75015500      23.22694800
  12.93638700      7.026064900      3.744504700      1.899190800
 0.9146347400     0.4226736900     0.1733363600
 -0.000008054568 -0.000004053273 -0.000001944157  0.000000682439
 -0.000027078095 -0.000013634153 -0.000006540669  0.000002295759
 -0.000079282009 -0.000039958712 -0.000019172193  0.000006730975
 -0.000218328885 -0.000110215721 -0.000052907859  0.000018569239
 -0.000590821968 -0.000298976465 -0.000143563425  0.000050427472
 -0.001617648499 -0.000821568180 -0.000394983977  0.000138601930
 -0.004449199670 -0.002271940392 -0.001092995609  0.000384311222
 -0.012329999093 -0.006350600629 -0.003063534727  0.001074988327
 -0.033633075455 -0.017577623931 -0.008500019692  0.002993846047
 -0.085361330116 -0.045767421573 -0.022289391468  0.007830818487
 -0.184635114488 -0.103019938864 -0.050575108487  0.017885933692
 -0.306177933467 -0.179922432975 -0.089736653124  0.031611756549
 -0.333940944257 -0.192210139100 -0.094508446694  0.033671837024
 -0.191849854355  0.015580024296  0.030487901892 -0.013346557196
 -0.041370213548  0.389529365165  0.292137162152 -0.110341160501
 -0.001845993934  0.478692110124  0.385624446073 -0.153311741440
 -0.000145865187  0.202678842059 -0.045196720770  0.049054159313
  0.000133805790  0.026107453083 -0.546135574829  0.272658816883
  0.000015677792  0.001459649498 -0.482015534161  0.306344394346
  0.000006078684  0.000165592035 -0.118271090545 -0.133039545385
 -0.000001395072 -0.000004040957 -0.003787423552 -0.519834214591
  0.000000043631  0.000004885302 -0.001406924453 -0.515134559115
  0.000000070089 -0.000004865843  0.000455792487 -0.025657744064
   15    2   10   10
  120.9969649      15.83839294
  16241.49300      4278.988200      1524.597100      640.8577100
  295.5655200      143.5265800      71.89617500      36.65707500
  18.88423700      9.510456800      4.620822600      2.112008600
 0.7516843600     0.2514027000     0.7547191500E-01
 -0.000085227786 -0.000041410173
 -0.000604050269 -0.000295460844
 -0.003323687046 -0.001623963386
 -0.014681175909 -0.007257132725
 -0.052573751090 -0.026160439294
 -0.148495995363 -0.075639055753
 -0.301129839898 -0.152372233245
 -0.388472922742 -0.180770410522
 -0.249912061962  0.020933522809
 -0.059007893734  0.385961404381
 -0.003152877598  0.487184768054
 -0.000572910534  0.223580259357
  0.000003395580  0.021283068455
 -0.000021618700 -0.001550311693
  0.000006353626  0.000320154202
   10    1   14
  1.180551788
  1573.111300      295.9291500      108.3458800      47.08844000
  21.82595400      10.48002400      4.988653200      2.304761500
 0.9995225700     0.3810215700
 -0.000091144520
 -0.002175116998
 -0.015333377193
 -0.061824113496
 -0.166130598283
 -0.288184302113
 -0.342936408185
 -0.296696596471
 -0.187256344500
 -0.063567214351
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-Al(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alo(3+) in Lu3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  372971.1700      57385.37550      13169.30800      3619.437590
  1148.006930      394.6778150      149.5069970      60.26483830
  23.41066380      9.773332000      4.340800000      1.918320000
 0.2198319846E-01 0.2664782852E-01 0.4917217614E-01 0.8353773086E-01
 0.1413949622     0.2359080641     0.3162084720     0.3089163191
 0.3502243429     0.7588267585     0.8193541429     0.2211593376
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  117.0331550      9.784488817
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666372787  0.001486391262
  0.042199439098  0.011029180883
  0.190348424153  0.054792034259
  0.462113217071  0.144509190083
  0.382434873239  0.138563450407
  0.043209396888  0.073579476556
  0.051203495928 -0.603359381699
  0.066136232754 -0.525130211629
 -0.088828290955  0.015221725417
 -0.002555552482 -0.015732309811
  0.000987245216  0.011187890180
    8    1    6
  6.427491288
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013939962603
 -0.091717321497
 -0.297450634404
 -0.500154262118
 -0.311129185203
 -0.012349249381
  0.004389916094
  0.000742492066
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alt(3+) in Lu3Al5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198129195E-01 0.2673076463E-01 0.4917018688E-01 0.8371393752E-01
 0.1416402107     0.2364648432     0.3168061729     0.3098398450
 0.3516754075     0.7611808564     0.8119485788     0.2221812378
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.9394289      9.690052306
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666388798  0.001486376403
  0.042199500209  0.011030507028
  0.190349205948  0.054786566771
  0.462111909027  0.144594686462
  0.382423998051  0.138865616438
  0.043219802854  0.073326482649
  0.051218402831 -0.604936882031
  0.066296356699 -0.540437466729
 -0.088983498219  0.030055411313
 -0.002596373040 -0.012086699637
  0.000993558657  0.010623753321
    8    1    6
  6.334014163
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013936544168
 -0.091680550120
 -0.297397110695
 -0.499783481860
 -0.311508758775
 -0.013231234294
  0.006157116545
 -0.000332643675
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Al.ECP.Seijo.11s8p.1s1p.0e-AIMP-Lu3Al5O12-Al(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alt(3+) in Lu3Al5O12  with orthogonality functions
   3.000    1
   11    1
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
   0.001486376403
   0.011030507028
   0.054786566771
   0.144594686462
   0.138865616438
   0.073326482649
  -0.604936882031
  -0.540437466729
   0.030055411313
  -0.012086699637
   0.010623753321
    8    1
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013936544168
 -0.091680550120
 -0.297397110695
 -0.499783481860
 -0.311508758775
 -0.013231234294
  0.006157116545
 -0.000332643675
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  373644.1700      57242.17550      13135.20800      3611.607590
  1144.386930      393.3688150      148.8839970      59.87703830
  23.20256380      9.711662000      4.325120000      1.924140000
 0.2198129195E-01 0.2673076463E-01 0.4917018688E-01 0.8371393752E-01
 0.1416402107     0.2364648432     0.3168061729     0.3098398450
 0.3516754075     0.7611808564     0.8119485788     0.2221812378
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.9394289      9.690052306
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666388798  0.001486376403
  0.042199500209  0.011030507028
  0.190349205948  0.054786566771
  0.462111909027  0.144594686462
  0.382423998051  0.138865616438
  0.043219802854  0.073326482649
  0.051218402831 -0.604936882031
  0.066296356699 -0.540437466729
 -0.088983498219  0.030055411313
 -0.002596373040 -0.012086699637
  0.000993558657  0.010623753321
    8    1    6
  6.334014163
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013936544168
 -0.091680550120
 -0.297397110695
 -0.499783481860
 -0.311508758775
 -0.013231234294
  0.006157116545
 -0.000332643675
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Lu3Al5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Lu3Al5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2177016477E-01 -.3182903023E-01 -.6529925626E-01 -.1219716589
 -.2183449785     -.3844092285     -.5098611480     -.4604030377
 -.7569716426     -1.308590211     -1.054027220     -.6652242305E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.29022393      1.946061521
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201928236  0.001318493603
  0.045638559282  0.009606941579
  0.200051373812  0.046725772593
  0.473799462225  0.115091368877
  0.380764668747  0.099766810867
  0.028961595518  0.068092048639
  0.024666097223 -0.465256958819
 -0.005621478303 -0.639597382977
    6    1    6
 0.4863838042
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013146047553
 -0.085418928225
 -0.248466015979
 -0.438813009463
 -0.509339803876
  0.094679945039
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         E.8.06. Y3Ga5O12 (YGG)
********************************************************************************
*           E.8.06.a. Y3Ga5O12
*             Structure:
*                    A.Nakatsuka et al., Acta Crys Sec B 51(5) (1995) 737-754
*                    (Ia-3d; a=12.273A, x=-0.0274, =0.0546, z=0.1493)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Y.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-Y.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Y3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-O.
********************************************************************************
/Y.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-Y.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Y(3+) in Y3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  414990.0000      69567.00000      17539.00000      5152.500000
  1663.900000      590.4400000      216.7900000      90.52800000
  30.75800000      11.26020000      4.851700000      1.463900000
 0.7359300000
 0.9984035355E-01 0.1131104222     0.1987061656     0.3454909512
 0.5318989113     0.5974625966     0.9265437798      1.656078641
  1.077547050      3.302017412     0.9683385921      1.514095123
 0.6688700025
M2
    0
COREREP
   1.000
PROJOP
    2
   16    4    2    2    2    2
  1256.174177      177.1799294      30.26521794      4.087858143
  22535.50000      3394.400000      769.3080000      207.1720000
  309.4710000      35.23740000      14.99810000      27.48500000
  4.753340000      2.129620000      3.441250000     0.6778690000
 0.2881100000     0.3732010000     0.5311200000E-01 0.2174400000E-01
 -0.031608010904 -0.010538356112 -0.004360317625  0.001617542021
 -0.140497646906 -0.049956183978 -0.020898440641  0.007770258284
 -0.421643076098 -0.168258234018 -0.071025356787  0.026414120123
 -0.424969488275 -0.182676937648 -0.075354196546  0.027662721059
 -0.089461948188 -0.103200681004 -0.051521904544  0.019905974981
 -0.326650506559  0.924523635074  0.555012309015 -0.215110661889
 -0.109747777861  0.513274618795  0.301364376682 -0.111226260342
  0.355203898950 -0.293589092898  0.003477191161 -0.025600492833
  0.114964086206 -0.140978025936 -1.197628158495  0.587673932232
  0.050784407844 -0.081548527185 -0.542485004683  0.243294658721
 -0.133648085898  0.196015009709  0.418898717924  0.109222573176
 -0.017967617413  0.031679298749  0.077422439854 -0.991545264276
 -0.014842425782  0.027068986252  0.077658667229 -0.461821052791
  0.025078270469 -0.045411502012 -0.128413882557  0.133984425581
  0.000666916417 -0.001251191555 -0.003479302001  0.037324661524
 -0.000261081347  0.000491923065  0.001379758480 -0.011389586164
   10    3    6    6    6
  157.4565655      23.64138652      2.196889327
  987.0300000      232.0540000      72.33480000      24.87860000
  11.45280000      4.717860000      2.027620000      1.093910000
 0.4690800000     0.1901090000
  0.031481435500 -0.013533954777 -0.004672841545
  0.180018301205 -0.081318908049 -0.028275774340
  0.496962356663 -0.240583255751 -0.084714779502
  0.443199468485 -0.198491999243 -0.067808366313
  0.010898954834  0.369429636737  0.163799913150
  0.043864494880  0.606319224209  0.308276674227
 -0.033507074011  0.210896140254  0.053424118891
  0.022483787070 -0.003742790100 -0.433956964455
 -0.008153946785  0.006301928111 -0.643757998124
  0.002210656215 -0.001529012166 -0.079007051422
    7    1   10
  12.62777780
  93.48480000      26.40650000      8.826900000      2.931690000
  1.301810000     0.3877800000     0.1036240000
  0.050047725053
  0.252687873041
  0.530035728424
  0.392926507182
  0.029376751544
  0.016277111768
 -0.004294427459
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gao(3+) in Y3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  395740.0000      65160.00000      16086.00000      4671.500000
  1538.100000      551.6500000      193.3000000      74.27300000
  33.69300000      10.01670000      4.648500000      2.051300000
 0.8445200000
 0.7194329704E-01 0.8191988826E-01 0.1467702419     0.2527823898
 0.4083302726     0.5332952967     0.6536585594      1.276590998
  1.118820245      1.301140467      2.274688547      1.062656194
 0.1507369371
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.9448288      95.96992858      12.53932855
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491980 -0.000004279725 -0.000001668404
  0.000131163489 -0.000043089072 -0.000017181902
  0.000530468700 -0.000171733707 -0.000067792746
 -0.000311934842  0.000104662127  0.000042488465
  0.001402143024 -0.000441490263 -0.000170366215
  0.003678574811 -0.001145096698 -0.000435703802
  0.013499437398 -0.004243412373 -0.001623479649
  0.040090969061 -0.012868233528 -0.004924656784
  0.106443051788 -0.035723026307 -0.013776621348
  0.232114769398 -0.086622950635 -0.033768282122
  0.364365302520 -0.169076291069 -0.068071431963
  0.307543377849 -0.210081987458 -0.089003541360
  0.080427577798  0.026403197903  0.011656365923
 -0.002091497646  0.532878666518  0.332655115509
  0.003317928096  0.503059650329  0.468641422738
 -0.001366271790  0.088535497889 -0.174750132234
  0.000409993018 -0.001314851174 -0.724717681083
 -0.000327966954  0.002339486250 -0.377332707411
  0.000091487608 -0.000320837717 -0.011767256262
  0.000007645581 -0.000096529870  0.007990672836
   15    2    6    6
  84.79516116      8.759689796
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  0.000016436682 -0.000006204667
  0.000246402690 -0.000093680858
  0.001889025533 -0.000716052992
  0.009964989283 -0.003823252068
  0.039612521397 -0.015359409948
  0.119508711227 -0.048148882359
  0.263338555950 -0.110434772385
  0.386818406145 -0.174968981420
  0.293029263014 -0.095726876175
  0.071898100819  0.248030570770
  0.001982633338  0.517002846263
  0.001434935022  0.352939771895
 -0.000189503182  0.049075607852
  0.000064371811 -0.008178061416
 -0.000027812362  0.000380443202
    9    1   10
  2.182971436
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572666319
  0.005773279127
  0.029833997464
  0.099721740771
  0.223420394393
  0.332904209095
  0.346133332358
  0.241546692553
  0.054171008078
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Y3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  394820.0000      64920.00000      16020.00000      4647.600000
  1528.900000      548.1400000      191.9300000      73.85200000
  33.50700000      9.948700000      4.617900000      2.033400000
 0.8293100000
 0.7205660929E-01 0.8210302533E-01 0.1471550743     0.2537329459
 0.4096545727     0.5338975795     0.6560396064      1.281031438
  1.111995554      1.315979834      2.272122103      1.050840331
 0.1467246610
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0194515      96.04499288      12.60884059
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279739 -0.000001668596
  0.000131163478 -0.000043089194 -0.000017184813
  0.000530468660 -0.000171734247 -0.000067801876
 -0.000311934856  0.000104662387  0.000042490546
  0.001402142696 -0.000441493104 -0.000170390370
  0.003678574112 -0.001145099455 -0.000435837289
  0.013499432991 -0.004243449845 -0.001623667900
  0.040090962270 -0.012868248498 -0.004926279484
  0.106443007776 -0.035723397117 -0.013777649427
  0.232114725422 -0.086622851619 -0.033781423349
  0.364365027940 -0.169078692004 -0.068069459763
  0.307543543426 -0.210079227316 -0.089066331689
  0.080427654154  0.026391206522  0.011772844131
 -0.002090806699  0.532909129376  0.332466654138
  0.003316850543  0.503028228347  0.469341135228
 -0.001364812870  0.088585090560 -0.176039064214
  0.000408126428 -0.001402686433 -0.723238262721
 -0.000326438595  0.002414344225 -0.378899082448
  0.000090396590 -0.000378791622 -0.009945488957
  0.000007941100 -0.000080710081  0.007358520493
   15    2    6    6
  84.87016936      8.829374437
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436732 -0.000006206356
 -0.000246404135 -0.000093689204
 -0.001889031798 -0.000716233303
 -0.009965044714 -0.003823634688
 -0.039612642285 -0.015363287928
 -0.119509335385 -0.048153296138
 -0.263339194848 -0.110467076420
 -0.386824080443 -0.174972327762
 -0.293028581841 -0.095810692757
 -0.071892415301  0.248282059980
 -0.001973768095  0.516885800784
 -0.001440203307  0.353102637670
  0.000194389264  0.048700955672
 -0.000064473103 -0.008157362904
  0.000026998861  0.000639989213
    9    1   10
  2.253595924
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572632938
  0.005771640940
  0.029831315994
  0.099693986474
  0.223416861715
  0.332754535021
  0.346119039366
  0.240646137112
  0.056349448964
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Y3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Y3Ga5O12 with orthogonality orbitals
   3.000    2
   20    1
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  -0.000001668596
  -0.000017184813
  -0.000067801876
   0.000042490546
  -0.000170390370
  -0.000435837289
  -0.001623667900
  -0.004926279484
  -0.013777649427
  -0.033781423349
  -0.068069459763
  -0.089066331689
   0.011772844131
   0.332466654138
   0.469341135228
  -0.176039064214
  -0.723238262721
  -0.378899082448
  -0.009945488957
   0.007358520493
   15    1
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  -0.000006206356
  -0.000093689204
  -0.000716233303
  -0.003823634688
  -0.015363287928
  -0.048153296138
  -0.110467076420
  -0.174972327762
  -0.095810692757
   0.248282059980
   0.516885800784
   0.353102637670
   0.048700955672
  -0.008157362904
   0.000639989213
    9    1
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572632938
  0.005771640940
  0.029831315994
  0.099693986474
  0.223416861715
  0.332754535021
  0.346119039366
  0.240646137112
  0.056349448964
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  394820.0000      64920.00000      16020.00000      4647.600000
  1528.900000      548.1400000      191.9300000      73.85200000
  33.50700000      9.948700000      4.617900000      2.033400000
 0.8293100000
 0.7205660929E-01 0.8210302533E-01 0.1471550743     0.2537329459
 0.4096545727     0.5338975795     0.6560396064      1.281031438
  1.111995554      1.315979834      2.272122103      1.050840331
 0.1467246610
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0194515      96.04499288      12.60884059
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279739 -0.000001668596
  0.000131163478 -0.000043089194 -0.000017184813
  0.000530468660 -0.000171734247 -0.000067801876
 -0.000311934856  0.000104662387  0.000042490546
  0.001402142696 -0.000441493104 -0.000170390370
  0.003678574112 -0.001145099455 -0.000435837289
  0.013499432991 -0.004243449845 -0.001623667900
  0.040090962270 -0.012868248498 -0.004926279484
  0.106443007776 -0.035723397117 -0.013777649427
  0.232114725422 -0.086622851619 -0.033781423349
  0.364365027940 -0.169078692004 -0.068069459763
  0.307543543426 -0.210079227316 -0.089066331689
  0.080427654154  0.026391206522  0.011772844131
 -0.002090806699  0.532909129376  0.332466654138
  0.003316850543  0.503028228347  0.469341135228
 -0.001364812870  0.088585090560 -0.176039064214
  0.000408126428 -0.001402686433 -0.723238262721
 -0.000326438595  0.002414344225 -0.378899082448
  0.000090396590 -0.000378791622 -0.009945488957
  0.000007941100 -0.000080710081  0.007358520493
   15    2    6    6
  84.87016936      8.829374437
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436732 -0.000006206356
 -0.000246404135 -0.000093689204
 -0.001889031798 -0.000716233303
 -0.009965044714 -0.003823634688
 -0.039612642285 -0.015363287928
 -0.119509335385 -0.048153296138
 -0.263339194848 -0.110467076420
 -0.386824080443 -0.174972327762
 -0.293028581841 -0.095810692757
 -0.071892415301  0.248282059980
 -0.001973768095  0.516885800784
 -0.001440203307  0.353102637670
  0.000194389264  0.048700955672
 -0.000064473103 -0.008157362904
  0.000026998861  0.000639989213
    9    1   10
  2.253595924
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572632938
  0.005771640940
  0.029831315994
  0.099693986474
  0.223416861715
  0.332754535021
  0.346119039366
  0.240646137112
  0.056349448964
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Y3Ga5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Y3Ga5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  251175.8300      28086.01200      5087.473000      1182.626000
  334.8373300      106.2370000      36.41761900      11.65033000
  3.609136000      1.355821600     0.5281900000     0.7471200000E-01
 -.2362948458E-01 -.3664974354E-01 -.7429759563E-01 -.1339039113
 -.2370914116     -.4035140114     -.5099026576     -.4692346673
 -.8868587635     -1.317400267     -.9013720036     -.6145482836E-02
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.35121025      1.993490644
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202020921  0.001318439581
  0.045639048600  0.009598725386
  0.200055351353  0.046752135681
  0.473798959425  0.114654831525
  0.380727025688  0.098328801134
  0.028999506237  0.069402004627
  0.024663926717 -0.463763001189
 -0.005649115616 -0.640745756898
    6    1    6
 0.5366448735
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013144460965
 -0.085224776316
 -0.248908950964
 -0.435590092383
 -0.511780758213
  0.092125668336
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.07. Nd3Ga5O12 (NdGG)
********************************************************************************
*           E.8.07.a. Nd3Ga5O12
*             Structure:
*                    H.Sawada, J. Solid State Chem 132 (1997) 300-307
*                    (Ia-3d; a=12.3829A, x=-0.0289, =0.0542, z=0.1494)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Nd.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-Nd.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Nd3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-O.
********************************************************************************
/Nd.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-Nd.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Nd(3+) in Nd3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  533060.0000      104567.0000      30070.00000      9812.800000
  3494.100000      1282.830000      480.0800000      213.9500000
  73.82200000      36.25100000      7.500900000      5.277200000
  2.279880000     0.9661500000     0.4848200000
 0.1627760997     0.1580210565     0.2643540095     0.4217710895
 0.5965792704     0.7403028898      1.286481211      1.698598629
  1.375735015      3.970246998      2.164489213      2.774812914
  1.060731141      1.955038679     0.3700617893
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  3214.955841      528.9581820      118.7891453      25.54797687
  3.725416710
 0.2909546400E+11  3547424800.      626604150.0      132478650.0
  32558625.00      9188110.900      2931551.800      1000868.800
  353897.7400      130371.1400      49842.27100      19521.55500
  7851.005800      3273.063700      1410.205000      626.6612000
  287.5312100      122.7601900      56.63517700      22.56243100
  11.58406900      4.427495600      2.215405700     0.6228490400
 0.2881451800     0.5016252400E-01 0.2135007700E-01
  0.000001319003  0.000000489200  0.000000210400 -0.000000109824  0.000000040011
 -0.000005784773 -0.000002144625 -0.000000923015  0.000000481327 -0.000000175539
  0.000019913909  0.000007365803  0.000003182549 -0.000001650422  0.000000604964
 -0.000082180312 -0.000030063230 -0.000013233496  0.000006682071 -0.000002504693
 -0.000369100551 -0.000129701705 -0.000061026822  0.000027948753 -0.000011314213
 -0.000512852383 -0.000188129945 -0.000082669490  0.000041866896 -0.000015749977
 -0.001299845498 -0.000454294333 -0.000216616274  0.000097246661 -0.000039621139
 -0.002529118015 -0.000927743466 -0.000410797993  0.000206170953 -0.000079549009
 -0.005297084592 -0.001874916166 -0.000886823491  0.000402920216 -0.000156565383
 -0.010718459642 -0.003927829006 -0.001781294370  0.000869825166 -0.000370400945
 -0.022116519357 -0.008088349613 -0.003751288152  0.001772114912 -0.000711862409
 -0.046563139250 -0.017554878865 -0.008093212765  0.003876167256 -0.001594563613
 -0.097033209067 -0.037734045190 -0.017606896854  0.008397291713 -0.003431675440
 -0.189679804203 -0.080153983433 -0.037610334305  0.018053747943 -0.007398456972
 -0.312805158385 -0.150276376658 -0.072778359313  0.034981648848 -0.014353943777
 -0.335404678916 -0.211937066093 -0.105910665983  0.051751806927 -0.021264773765
 -0.154901179141 -0.053543439262 -0.027114969277  0.012552580680 -0.005207757911
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   23    4    6    6    6    6
  473.2867841      100.7392077      19.38333684      1.948199200
  48217378.00      7261355.300      1507340.100      382356.3000
  113813.7700      38195.06100      14131.43800      5704.224200
  2478.188900      1142.285500      552.5598500      278.4579500
  145.2685100      77.53668500      41.63418500      22.36848000
  12.18950400      6.537772600      3.394021900      1.729504100
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   15    2   10   10
  75.29745845      10.27675397
  12677.91900      3346.862800      1219.561800      523.0680700
  247.3147200      124.1353600      64.96501300      34.76094300
  18.90510400      10.33393100      5.570941700      2.951990500
  1.532838000     0.7557562000     0.3059887100
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  0.000041845480  0.050630130948
 -0.000013772123 -0.001706478868
   10    1    3
 -.4313323419
  379.5970900      131.0924400      56.14306400      26.35066300
  12.76964700      6.246679200      2.970975300      1.349167200
 0.5668657200     0.2081914900
  0.000338642926
  0.003006821772
  0.015186755210
  0.050579300098
  0.130020771599
  0.241620789169
  0.323091957489
  0.325666727947
  0.241044358634
  0.141584909530
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gao(3+) in Nd3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400930.0000      66683.00000      16604.00000      4846.700000
  1598.500000      574.4300000      202.5700000      77.18200000
  34.94400000      10.44040000      4.807400000      2.120500000
 0.8752700000
 0.7131448792E-01 0.8045581858E-01 0.1435766960     0.2471589850
 0.4006720747     0.5287982789     0.6376585125      1.245626077
  1.164322431      1.223497809      2.302616791      1.122018197
 0.1656171746
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.8789743      95.90417291      12.47537682
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491980 -0.000004279719 -0.000001668532
  0.000131163491 -0.000043088995 -0.000017183704
  0.000530468708 -0.000171733446 -0.000067799063
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  0.001402143074 -0.000441489519 -0.000170368905
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   15    2    6    6
  84.72941651      8.696915906
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
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 -0.001435057095  0.353128040925
  0.000188653872  0.049178558698
 -0.000059519423 -0.008926480275
  0.000025633148  0.000725499582
    9    1   10
  2.120417816
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572553729
  0.005775405930
  0.029830409627
  0.099758718853
  0.223365947298
  0.333143720744
  0.345822909984
  0.242852208903
  0.051909625889
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Nd3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  401260.0000      66684.00000      16590.00000      4842.200000
  1596.900000      573.7400000      202.2200000      77.04400000
  34.87700000      10.40190000      4.787500000      2.105800000
 0.8590600000
 0.7128912828E-01 0.8051765960E-01 0.1436783274     0.2472775729
 0.4009079021     0.5290239337     0.6384758548      1.247571936
  1.162220286      1.232227904      2.304177620      1.114422983
 0.1615422258
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.1153920      96.14118751      12.70561158
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279736 -0.000001668812
  0.000131163478 -0.000043089136 -0.000017187921
  0.000530468660 -0.000171734088 -0.000067812468
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  0.001402142676 -0.000441492868 -0.000170402558
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  0.080427418051  0.026385729975  0.011850197801
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  0.003316237756  0.503003906305  0.469732110849
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  0.000089609548 -0.000422412202 -0.008358060186
  0.000008165445 -0.000068440220  0.006969250935
   15    2    6    6
  84.96638649      8.927949987
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436672 -0.000006206571
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 -0.001889025022 -0.000716252884
 -0.009965014144 -0.003823537283
 -0.039612495163 -0.015363691259
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 -0.263338120145 -0.110470967532
 -0.386822654212 -0.174960504405
 -0.293027779212 -0.095835435370
 -0.071897229056  0.248301765556
 -0.001974535148  0.516783804896
 -0.001441575398  0.353363107320
  0.000194466598  0.048702288297
 -0.000059192805 -0.008934570679
  0.000024950417  0.000933381248
    9    1   10
  2.352493349
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572560726
  0.005773587737
  0.029829401268
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  0.223380238937
  0.332965709071
  0.345872458283
  0.241723052471
  0.054410815992
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Nd3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Nd3Ga5O12 with orthogonality functions
   3.000    2
   20    1
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  -0.000001668812
  -0.000017187921
  -0.000067812468
   0.000042498970
  -0.000170402558
  -0.000435893508
  -0.001623692927
  -0.004927038889
  -0.013777448591
  -0.033787946612
  -0.068063628688
  -0.089101738065
   0.011850197801
   0.332308512425
   0.469732110849
  -0.176716765736
  -0.722143821888
  -0.380362754753
  -0.008358060186
   0.006969250935
   15   1
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  -0.000006206571
  -0.000093686513
  -0.000716252884
  -0.003823537283
  -0.015363691259
  -0.048151801160
  -0.110470967532
  -0.174960504405
  -0.095835435370
   0.248301765556
   0.516783804896
   0.353363107320
   0.048702288297
  -0.008934570679
   0.000933381248
    9    1
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572560726
  0.005773587737
  0.029829401268
  0.099727837696
  0.223380238937
  0.332965709071
  0.345872458283
  0.241723052471
  0.054410815992
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  401260.0000      66684.00000      16590.00000      4842.200000
  1596.900000      573.7400000      202.2200000      77.04400000
  34.87700000      10.40190000      4.787500000      2.105800000
 0.8590600000
 0.7128912828E-01 0.8051765960E-01 0.1436783274     0.2472775729
 0.4009079021     0.5290239337     0.6384758548      1.247571936
  1.162220286      1.232227904      2.304177620      1.114422983
 0.1615422258
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.1153920      96.14118751      12.70561158
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279736 -0.000001668812
  0.000131163478 -0.000043089136 -0.000017187921
  0.000530468660 -0.000171734088 -0.000067812468
 -0.000311934850  0.000104662427  0.000042498970
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  0.003678574250 -0.001145095288 -0.000435893508
  0.013499432587 -0.004243450775 -0.001623692927
  0.040090964174 -0.012868194620 -0.004927038889
  0.106443002309 -0.035723435790 -0.013777448591
  0.232114743557 -0.086622378194 -0.033787946612
  0.364364997222 -0.169079259322 -0.068063628688
  0.307543632831 -0.210076596431 -0.089101738065
  0.080427418051  0.026385729975  0.011850197801
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  0.003316237756  0.503003906305  0.469732110849
 -0.001363920953  0.088627819847 -0.176716765736
  0.000407059283 -0.001451201456 -0.722143821888
 -0.000325602141  0.002457024277 -0.380362754753
  0.000089609548 -0.000422412202 -0.008358060186
  0.000008165445 -0.000068440220  0.006969250935
   15    2    6    6
  84.96638649      8.927949987
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436672 -0.000006206571
 -0.000246403405 -0.000093686513
 -0.001889025022 -0.000716252884
 -0.009965014144 -0.003823537283
 -0.039612495163 -0.015363691259
 -0.119508956687 -0.048151801160
 -0.263338120145 -0.110470967532
 -0.386822654212 -0.174960504405
 -0.293027779212 -0.095835435370
 -0.071897229056  0.248301765556
 -0.001974535148  0.516783804896
 -0.001441575398  0.353363107320
  0.000194466598  0.048702288297
 -0.000059192805 -0.008934570679
  0.000024950417  0.000933381248
    9    1   10
  2.352493349
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572560726
  0.005773587737
  0.029829401268
  0.099727837696
  0.223380238937
  0.332965709071
  0.345872458283
  0.241723052471
  0.054410815992
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Nd3Ga5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Nd3Ga5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2171734204E-01 -.3181912849E-01 -.6526941843E-01 -.1216634721
 -.2184638219     -.3833548478     -.5103601842     -.4570724880
 -.7597446907     -1.288890520     -1.068589412     -.7305467422E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.43241224      2.063656764
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202144474  0.001318261060
  0.045639878668  0.009590427532
  0.200060174921  0.046771073105
  0.473807404518  0.114249923254
  0.380701266557  0.096988508188
  0.029025743458  0.070583354286
  0.024609878467 -0.462140606495
 -0.005612811260 -0.642020315126
    6    1    6
 0.6073152851
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013143849379
 -0.084876894372
 -0.249613402979
 -0.430441724744
 -0.517260493518
  0.091973916247
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.08. Sm3Ga5O12 (SmGG)
********************************************************************************
*           E.8.08.a. Sm3Ga5O12
*             Structure:
*                    H.Sawada, J. Solid State Chem 132 (1997) 300-307
*                    (Ia-3d; a=12.4361A, x=-0.0292, =0.0530, z=0.1490)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Sm.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-Sm.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Sm3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-O.
********************************************************************************
/Sm.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-Sm.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Sm(3+) in Sm3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  512450.0000      103071.0000      30099.00000      9929.000000
  3574.100000      1326.200000      505.2200000      228.0000000
  79.07900000      39.42400000      8.022900000      5.222000000
  2.188280000      1.008760000     0.5107800000
 0.1737688608     0.1652437118     0.2753938344     0.4348750403
 0.6044101879     0.7506931015      1.312026400      1.685904885
  1.417268054      3.983870959      2.938736874      2.490270704
  1.188673352      1.893736018     0.3517946742
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  3455.597418      573.9497030      129.8908693      27.80754264
  3.912288395
 0.4199856300E+11  4594105500.      753039310.0      157767800.0
  39364524.00      11131390.00      3423497.400      1127469.900
  393826.7200      145651.2200      56081.15100      22223.64100
  9070.966600      3800.649500      1630.105700      719.0328200
  327.6299200      135.7440500      62.19013000      24.51468900
  12.66204700      4.859317300      2.422075600     0.6773245000
 0.3093579700     0.5277936800E-01 0.2224604100E-01
  0.000000763261 -0.000000292854 -0.000000122223  0.000000066904 -0.000000020487
 -0.000003487580  0.000001337520  0.000000558634 -0.000000305497  0.000000093759
  0.000012578125 -0.000004810194 -0.000002018159  0.000001097121 -0.000000340848
 -0.000048458462  0.000018275821  0.000007838884 -0.000004138630  0.000001359267
 -0.000393480092  0.000139314980  0.000065894247 -0.000030464416  0.000012555432
 -0.000506352797  0.000187642549  0.000082936244 -0.000042086151  0.000014913956
 -0.001352383595  0.000476354260  0.000228055060 -0.000103694084  0.000043529610
 -0.002670882080  0.000988573066  0.000440943433 -0.000221410736  0.000081374511
 -0.005451968496  0.001941793367  0.000924890994 -0.000423444644  0.000169199926
 -0.010843958230  0.004013079409  0.001829114286 -0.000898671554  0.000373567719
 -0.021977898318  0.008093142674  0.003778729376 -0.001795000989  0.000718854463
 -0.044922234454  0.017081540081  0.007919029991 -0.003816814066  0.001554343647
 -0.091725230904  0.035815086799  0.016811726547 -0.008064142755  0.003268818170
 -0.180056581983  0.076243069244  0.035951005670 -0.017360017645  0.007051874483
 -0.304062937067  0.144564853118  0.070271779568 -0.033963563916  0.013815961966
 -0.341688335251  0.212264576240  0.106293113435 -0.052205587073  0.021264830634
 -0.172760526937  0.071446868893  0.036907900800 -0.017519853628  0.007190726095
 -0.017949701075 -0.468904215018 -0.373099544420  0.200626863191 -0.083770516425
  0.001838146517 -0.593722772046 -0.630296527834  0.377841227834 -0.161063482995
 -0.000813234035 -0.113680855000  0.384686850876 -0.352081079188  0.163795576702
  0.000544047273  0.020376371035  0.864869876875 -1.032714273984  0.524098484188
 -0.000253366667 -0.007169727732  0.126302774152  0.567319952310 -0.432082853360
  0.000123786088  0.003533595163 -0.018897544758  0.883209853314 -0.830217473832
 -0.000041483253 -0.001125377912  0.004814123818  0.053475712740  0.845473000629
  0.000020928911  0.000547265038 -0.002315165409 -0.012021902007  0.551094051023
 -0.000005438391 -0.000142268473  0.000567965300  0.002065386594 -0.023649466705
  0.000002589816  0.000068628753 -0.000272102670 -0.000977719647  0.005617144608
   23    4    6    6    6    6
  512.6314367      110.1913388      21.07980678      2.005756071
  51833132.00      7387198.900      1527739.900      389079.1200
  115150.0500      38447.97900      14216.70900      5732.236300
  2484.365500      1142.648700      552.7357400      278.6377800
  145.2481200      77.64623500      41.97587600      22.71782700
  12.41312400      6.677169200      3.490204300      1.788677600
 0.8091375900     0.3660366800     0.1513457100
 -0.000000881239  0.000000422442 -0.000000245048  0.000000021302
  0.000016625991 -0.000008091487  0.000004008065 -0.000001091705
  0.000042850283 -0.000021084464  0.000009232904 -0.000004135504
  0.000122694767 -0.000059813396  0.000029606168 -0.000007652191
  0.000335610991 -0.000164823365  0.000076737761 -0.000031655764
  0.000926233354 -0.000455521844  0.000215829514 -0.000078980740
  0.002596044764 -0.001282025156  0.000605531272 -0.000229780592
  0.007362527743 -0.003660627409  0.001732661925 -0.000647966976
  0.020672704939 -0.010387515016  0.004929643995 -0.001864885738
  0.054983372586 -0.028192420675  0.013429859460 -0.005029974813
  0.129045829509 -0.068366531035  0.032837040940 -0.012469595853
  0.245301814761 -0.136352372490  0.066145143207 -0.024788222642
  0.336437134551 -0.195867551040  0.096421508424 -0.037114713676
  0.276622788172 -0.123873435736  0.054242352153 -0.018735775998
  0.107072323635  0.176339474627 -0.127669712453  0.049265403768
  0.012477129617  0.498251029610 -0.378755646478  0.163126847519
  0.000621534973  0.378837792867 -0.262164254201  0.092095158124
 -0.000266831265  0.089296003040  0.340216449113 -0.174554239898
  0.000018963057  0.005071410045  0.627149494267 -0.414504383673
 -0.000054786624  0.000512792053  0.264338503497 -0.060356645100
  0.000018246194 -0.000069730330  0.020604898866  0.518881916644
 -0.000007014644  0.000025789633  0.000567735215  0.614247383229
  0.000001749341 -0.000013118504 -0.000392479347  0.028771355082
   15    2   10   10
  83.01790073      11.28096736
  12216.87000      3315.636100      1219.376000      522.9473500
  247.2513900      124.1513000      64.98098000      34.75601200
  18.92465200      10.32849300      5.567167600      2.953776700
  1.521279200     0.7454849200     0.3671292000
 -0.000064567643  0.000030413406
 -0.000455925478  0.000215755880
 -0.002497013598  0.001181950966
 -0.011004826728  0.005253481239
 -0.038466512513  0.018476511352
 -0.106396573932  0.052098502449
 -0.223043325302  0.109776183448
 -0.334653663289  0.160415745640
 -0.319605613170  0.116377766839
 -0.156508080326 -0.121009829507
 -0.030532540789 -0.388245960099
 -0.001734238750 -0.417706076508
 -0.000149385475 -0.199661715658
 -0.000010804054 -0.034235305275
 -0.000010136279 -0.001634517488
   10    1    4
 -.1783736225
  377.7328800      130.1215400      56.17466400      26.35374500
  12.80968900      6.271368500      2.977001200      1.350487600
 0.5680585800     0.2106025000
 -0.000467664747
 -0.004036766756
 -0.019577467957
 -0.063627020170
 -0.155672059137
 -0.269758534110
 -0.336535276582
 -0.309029740917
 -0.206832144329
 -0.090162870295
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gao(3+) in Sm3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  401130.0000      66791.00000      16631.00000      4855.600000
  1601.900000      575.6900000      203.0500000      77.32400000
  35.00200000      10.45620000      4.808900000      2.116700000
 0.8644300000
 0.7127213540E-01 0.8036425502E-01 0.1434582259     0.2468290734
 0.4002091374     0.5286058015     0.6369699788      1.244215270
  1.166409865      1.221919136      2.306220447      1.123250113
 0.1636098946
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.8821803      95.90722079      12.47750932
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491980 -0.000004279724 -0.000001668321
  0.000131163490 -0.000043089071 -0.000017180674
  0.000530468705 -0.000171733685 -0.000067788629
 -0.000311934840  0.000104662148  0.000042485268
  0.001402143083 -0.000441489723 -0.000170361509
  0.003678574905 -0.001145096577 -0.000435680221
  0.013499438221 -0.004243403971 -0.001623471604
  0.040090969854 -0.012868237006 -0.004924338616
  0.106443060212 -0.035722938819 -0.013776727667
  0.232114773339 -0.086623031132 -0.033765527972
  0.364365356978 -0.169075680033 -0.068073992679
  0.307543329823 -0.210082919159 -0.088988358190
  0.080427609236  0.026406419383  0.011623498266
 -0.002091693044  0.532870729541  0.332719841821
  0.003318226523  0.503069631865  0.468464167141
 -0.001366676052  0.088520077363 -0.174415197404
  0.000410476963 -0.001291440405 -0.725136586372
 -0.000328321078  0.002321481249 -0.376974869398
  0.000091609618 -0.000314521512 -0.011847649548
  0.000007736566 -0.000091037106  0.007674716299
   15    2    6    6
  84.73246086      8.697981773
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  0.000016436669 -0.000006204611
  0.000246402459 -0.000093675541
  0.001889023935 -0.000716042646
  0.009964980155 -0.003823045028
  0.039612489513 -0.015359180644
  0.119508609983 -0.048146102636
  0.263338341004 -0.110433985883
  0.386817554819 -0.174953937766
  0.293029100159 -0.095741948338
  0.071899799557  0.248046529924
  0.001983035802  0.516899278597
  0.001435714255  0.353137111072
 -0.000191386526  0.048746729833
  0.000067757100 -0.007669486021
 -0.000028889295  0.000268737002
    9    1   10
  2.121039826
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572777523
  0.005773507749
  0.029839153394
  0.099725215547
  0.223464532134
  0.332889029453
  0.346315226026
  0.241437143473
  0.053862957442
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Sm3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400220.0000      66539.00000      16570.00000      4835.000000
  1593.400000      572.2500000      201.5700000      76.81300000
  34.76500000      10.34670000      4.761200000      2.090400000
 0.8457400000
 0.7138649289E-01 0.8053754753E-01 0.1437234927     0.2476224830
 0.4015197481     0.5293736385     0.6397052500      1.250552537
  1.158884442      1.244039314      2.303681207      1.104457663
 0.1578495186
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0933805      96.11891658      12.68302340
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279739 -0.000001668566
  0.000131163478 -0.000043089194 -0.000017184378
  0.000530468661 -0.000171734236 -0.000067800424
 -0.000311934855  0.000104662388  0.000042489454
  0.001402142716 -0.000441492850 -0.000170389411
  0.003678574123 -0.001145099585 -0.000435827241
  0.013499433298 -0.004243445777 -0.001623677542
  0.040090962260 -0.012868252518 -0.004926138021
  0.106443011041 -0.035723353370 -0.013777831536
  0.232114724255 -0.086622910221 -0.033780123913
  0.364365049960 -0.169078371102 -0.068071547058
  0.307543515292 -0.210079785347 -0.089058337371
  0.080427693007  0.026392946110  0.011753824607
 -0.002090919339  0.532904895698  0.332507883379
  0.003317023709  0.503034124544  0.469244167147
 -0.001365054477  0.088575850092 -0.175848075790
  0.000408418547 -0.001389017797 -0.723520338453
 -0.000326664919  0.002402979903 -0.378625207603
  0.000090541365 -0.000371139691 -0.010148810413
  0.000007897874 -0.000082832424  0.007378684162
   15    2    6    6
  84.94409642      8.903592020
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436727  0.000006206331
 -0.000246404027  0.000093687713
 -0.001889031115  0.000716229458
 -0.009965040417  0.003823576319
 -0.039612628308  0.015363203342
 -0.119509284858  0.048152516894
 -0.263339101138  0.110466674268
 -0.386823725817  0.174968233303
 -0.293028569772  0.095814261029
 -0.071893083831 -0.248284064540
 -0.001973938591 -0.516864098844
 -0.001440372320 -0.353147682363
  0.000195000295 -0.048586659408
 -0.000065944892  0.007915862139
  0.000027822457 -0.000532398050
    9    1   10
  2.327685828
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572675285
  0.005771668770
  0.029833239119
  0.099694308444
  0.223433889924
  0.332743966589
  0.346193550924
  0.240539274635
  0.056356740313
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Sm3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Sm3Ga5O12 with orthogonality orbitals
   3.000    2
   20    1
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  -0.000001668566
  -0.000017184378
  -0.000067800424
   0.000042489454
  -0.000170389411
  -0.000435827241
  -0.001623677542
  -0.004926138021
  -0.013777831536
  -0.033780123913
  -0.068071547058
  -0.089058337371
   0.011753824607
   0.332507883379
   0.469244167147
  -0.175848075790
  -0.723520338453
  -0.378625207603
  -0.010148810413
   0.007378684162
   15    1
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
   0.000006206331
   0.000093687713
   0.000716229458
   0.003823576319
   0.015363203342
   0.048152516894
   0.110466674268
   0.174968233303
   0.095814261029
  -0.248284064540
  -0.516864098844
  -0.353147682363
  -0.048586659408
   0.007915862139
  -0.000532398050
    9    1
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572675285
  0.005771668770
  0.029833239119
  0.099694308444
  0.223433889924
  0.332743966589
  0.346193550924
  0.240539274635
  0.056356740313
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400220.0000      66539.00000      16570.00000      4835.000000
  1593.400000      572.2500000      201.5700000      76.81300000
  34.76500000      10.34670000      4.761200000      2.090400000
 0.8457400000
 0.7138649289E-01 0.8053754753E-01 0.1437234927     0.2476224830
 0.4015197481     0.5293736385     0.6397052500      1.250552537
  1.158884442      1.244039314      2.303681207      1.104457663
 0.1578495186
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0933805      96.11891658      12.68302340
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279739 -0.000001668566
  0.000131163478 -0.000043089194 -0.000017184378
  0.000530468661 -0.000171734236 -0.000067800424
 -0.000311934855  0.000104662388  0.000042489454
  0.001402142716 -0.000441492850 -0.000170389411
  0.003678574123 -0.001145099585 -0.000435827241
  0.013499433298 -0.004243445777 -0.001623677542
  0.040090962260 -0.012868252518 -0.004926138021
  0.106443011041 -0.035723353370 -0.013777831536
  0.232114724255 -0.086622910221 -0.033780123913
  0.364365049960 -0.169078371102 -0.068071547058
  0.307543515292 -0.210079785347 -0.089058337371
  0.080427693007  0.026392946110  0.011753824607
 -0.002090919339  0.532904895698  0.332507883379
  0.003317023709  0.503034124544  0.469244167147
 -0.001365054477  0.088575850092 -0.175848075790
  0.000408418547 -0.001389017797 -0.723520338453
 -0.000326664919  0.002402979903 -0.378625207603
  0.000090541365 -0.000371139691 -0.010148810413
  0.000007897874 -0.000082832424  0.007378684162
   15    2    6    6
  84.94409642      8.903592020
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436727  0.000006206331
 -0.000246404027  0.000093687713
 -0.001889031115  0.000716229458
 -0.009965040417  0.003823576319
 -0.039612628308  0.015363203342
 -0.119509284858  0.048152516894
 -0.263339101138  0.110466674268
 -0.386823725817  0.174968233303
 -0.293028569772  0.095814261029
 -0.071893083831 -0.248284064540
 -0.001973938591 -0.516864098844
 -0.001440372320 -0.353147682363
  0.000195000295 -0.048586659408
 -0.000065944892  0.007915862139
  0.000027822457 -0.000532398050
    9    1   10
  2.327685828
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572675285
  0.005771668770
  0.029833239119
  0.099694308444
  0.223433889924
  0.332743966589
  0.346193550924
  0.240539274635
  0.056356740313
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Sm3Ga5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Sm3Ga5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2172111178E-01 -.3182973071E-01 -.6527347674E-01 -.1217119272
 -.2184654822     -.3835055555     -.5103436798     -.4575237437
 -.7595321805     -1.292060011     -1.065966872     -.7206622917E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.35461874      1.988285347
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202110247  0.001318716989
  0.045639572293  0.009596856244
  0.200059006256  0.046776324467
  0.473801507788  0.114464131728
  0.380698729628  0.097611019544
  0.029028348930  0.070085994175
  0.024636410493 -0.463296538822
 -0.005634708469 -0.641066182561
    6    1    6
 0.5325570181
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013143398227
 -0.084965587016
 -0.249414096112
 -0.431851185225
 -0.515685043609
  0.091802278357
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.09. Gd3Ga5O12 (GdGG)
********************************************************************************
*           E.8.09.a. Gd3Ga5O12
*             Structure:
*                    H.Sawada, J. Solid State Chem 132 (1997) 300-307
*                    (Ia-3d; a=12.3829A, x=-0.0289, =0.0542, z=0.1494)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Gd.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-Gd.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Gd3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-O.
********************************************************************************
/Gd.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-Gd.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gd(3+) in Gd3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  523680.0000      106780.0000      31494.00000      10460.30000
  3779.000000      1402.150000      536.5500000      242.9700000
  84.13700000      42.61300000      8.730000000      5.350700000
  2.229080000      1.088570000     0.5771000000
 0.1802601415     0.1693639107     0.2809665360     0.4414797323
 0.6121046611     0.7652461585      1.341062190      1.687638160
  1.478671739      3.982487658      3.343705611      2.542867050
  1.293743782      1.787457479     0.4262785253
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  3706.501740      621.1535789      141.5000682      30.14957067
  4.140135021
 0.3700172100E+11  4423337400.      736627460.0      157466940.0
  39988049.00      11295642.00      3442911.200      1134401.600
  396957.8400      146564.4700      56594.52400      22562.05300
  9206.733200      3830.103100      1630.518600      716.1974000
  325.1370300      141.1383600      65.40259600      26.42438900
  13.67116900      5.375686200      2.679150400     0.7681474100
 0.3539498300     0.6287505600E-01 0.2555431900E-01
 -0.000000917332 -0.000000349079 -0.000000146245  0.000000080682 -0.000000028023
  0.000003986801  0.000001516565  0.000000635878 -0.000000350433  0.000000121857
 -0.000014205728 -0.000005391781 -0.000002271837  0.000001243948 -0.000000435363
  0.000054650713  0.000020522916  0.000008850698 -0.000004699154  0.000001693751
  0.000441243452  0.000158241570  0.000075196114 -0.000035000125  0.000014256059
  0.000565846125  0.000209735154  0.000093340492 -0.000047530850  0.000017847730
  0.001522767165  0.000544739773  0.000261762638 -0.000120008158  0.000049395628
  0.002956203973  0.001096649228  0.000492140383 -0.000248213503  0.000094785802
  0.006031192528  0.002179540110  0.001043014662 -0.000481212819  0.000193678395
  0.011940542533  0.004446372039  0.002038870288 -0.001004849528  0.000407301139
  0.023817955321  0.008874915770  0.004168000868 -0.001990286500  0.000796893656
  0.048161104373  0.018485465309  0.008621263217 -0.004174881050  0.001682457065
  0.098177114618  0.038894268510  0.018373454802 -0.008856186090  0.003561419183
  0.191812873814  0.082367549581  0.039115872885 -0.018985951851  0.007651222286
  0.315420316368  0.154019900910  0.075529604203 -0.036697231876  0.014790794617
  0.335137810966  0.212121729203  0.107189009297 -0.053004788966  0.021448903209
  0.150182363890  0.041585932987  0.019831215652 -0.008751693897  0.003460549067
  0.011788681058 -0.489050443702 -0.398056518872  0.215914389944 -0.089250435501
 -0.000097170711 -0.569452036447 -0.612596427300  0.372299844416 -0.158142987880
 -0.000175559702 -0.104811689343  0.413916529825 -0.385206983026  0.179927900794
  0.000095789196  0.017283240332  0.847325261269 -1.020242427062  0.510274605741
 -0.000055238833 -0.006053069094  0.124798464981  0.559538348589 -0.412307176264
  0.000034469279  0.002947017031 -0.017322597694  0.893121971585 -0.838839624444
 -0.000011938313 -0.000945733945  0.004585892200  0.060705502122  0.751721215151
  0.000005476078  0.000456689435 -0.002196512253 -0.013885455776  0.633428057575
 -0.000001425339 -0.000115309235  0.000521543485  0.002484950201 -0.010767148557
  0.000000711767  0.000053350607 -0.000239486091 -0.001135829747 -0.000884299682
   23    4    6    6    6    6
  553.6214832      120.0077452      22.82213452      2.100363901
  52152768.00      7440218.200      1535484.400      390559.5700
  115469.6900      38541.38300      14246.67200      5740.201200
  2485.279400      1142.789900      552.6307600      278.5198000
  145.3092600      77.64298100      41.88607700      22.88097100
  12.55486200      6.669495900      3.480984200      1.766148600
 0.8173020900     0.3708105400     0.1513552600
 -0.000000450550  0.000000179853 -0.000000161203  0.000000032408
  0.000019254386 -0.000009293125  0.000004734471  0.000001263848
  0.000049081997 -0.000024789752  0.000010632477  0.000005058030
  0.000141218591 -0.000068271623  0.000034797698  0.000008998819
  0.000383476172 -0.000190631101  0.000088623670  0.000035886813
  0.001055754248 -0.000522725440  0.000249490957  0.000090065380
  0.002945444633 -0.001466984461  0.000696454810  0.000260099056
  0.008318431496 -0.004171224303  0.001985950030  0.000732201247
  0.023197105729 -0.011767059472  0.005617246378  0.002091247811
  0.061008098041 -0.031616171784  0.015155792300  0.005597830531
  0.140829760689 -0.075536291472  0.036526113290  0.013649426031
  0.260084030207 -0.146567403899  0.071629007056  0.026486943292
  0.339961943066 -0.199295519756  0.098660089224  0.037342624025
  0.259693165553 -0.099353319838  0.039715716031  0.012922592920
  0.088836672145  0.226376255581 -0.162580982908 -0.062715244560
  0.008217475259  0.508767250535 -0.398216844128 -0.168834217205
  0.000643783576  0.339816814629 -0.198724266904 -0.061706262183
 -0.000336529403  0.068755197007  0.420052941390  0.215730823040
  0.000061071876  0.002352189493  0.603937190437  0.398432630020
 -0.000063631319  0.000753255837  0.207383267863 -0.011214137781
  0.000024305264 -0.000200705117  0.012127330979 -0.537927965993
 -0.000009134461  0.000076838180  0.001224433100 -0.573042576750
  0.000002246256 -0.000024429238 -0.000486843589 -0.021336965104
   15    2   10   10
  91.01395692      12.30946436
  19762.54400      4952.939600      1693.281500      698.3871200
  305.4837600      140.5349200      67.86090500      33.70837200
  17.12325000      8.614081100      4.198487800      1.950851800
 0.7805844900     0.2816736100     0.9055903700E-01
  0.000035517078 -0.000016832622
  0.000284612307 -0.000136389363
  0.001625432334 -0.000773522885
  0.007971452607 -0.003846480960
  0.034452882434 -0.016652161388
  0.112760999704 -0.055798225997
  0.260373767478 -0.129201388110
  0.388612970634 -0.186144392892
  0.311302499104 -0.067987081890
  0.098885106335  0.292212936711
  0.007318619329  0.514700166994
  0.000566470417  0.306369344419
 -0.000057773560  0.044570346760
  0.000044569559 -0.001196367277
 -0.000012171895  0.000320165454
   10    1    7
 0.1248649520
  383.5737200      131.6883000      56.21669300      26.30729400
  12.94802400      6.444507800      3.133485100      1.469537900
 0.6527711300     0.2616560700
  0.000586064093
  0.005125219607
  0.024745371140
  0.076981273726
  0.174926107089
  0.280360104429
  0.328065749072
  0.286482854392
  0.183434850056
  0.080761411289
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gao(3+) in Gd3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  401240.0000      66740.00000      16610.00000      4849.300000
  1600.000000      574.9600000      202.7700000      77.24200000
  34.96800000      10.44360000      4.803500000      2.113500000
 0.8608800000
 0.7127780902E-01 0.8044110693E-01 0.1435776945     0.2469728259
 0.4004289959     0.5287505851     0.6373250174      1.245038914
  1.165158876      1.224297309      2.306006172      1.121409518
 0.1626485097
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.9405914      95.96557721      12.53581895
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491980 -0.000004279725 -0.000001668245
  0.000131163490 -0.000043089088 -0.000017179583
  0.000530468705 -0.000171733731 -0.000067784899
 -0.000311934841  0.000104662154  0.000042482137
  0.001402143090 -0.000441489711 -0.000170357514
  0.003678574871 -0.001145097550 -0.000435663294
  0.013499438369 -0.004243402552 -0.001623465762
  0.040090969366 -0.012868250369 -0.004924105394
  0.106443062107 -0.035722917005 -0.013776810208
  0.232114768517 -0.086623155381 -0.033763510690
  0.364365368057 -0.169075454783 -0.068075926643
  0.307543302376 -0.210083678070 -0.088977267722
  0.080427675497  0.026408154966  0.011599077914
 -0.002091818506  0.532867273872  0.332769841661
  0.003318410030  0.503076851418  0.468340143269
 -0.001366940964  0.088507769120 -0.174194658249
  0.000410793553 -0.001276704237 -0.725483702740
 -0.000328567272  0.002308736069 -0.376540396863
  0.000091805275 -0.000303604366 -0.012236335804
  0.000007722911 -0.000091745254  0.007668412899
   15    2    6    6
  84.79081094      8.755808575
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436681 -0.000006204636
 -0.000246402609 -0.000093674993
 -0.001889025297 -0.000716044751
 -0.009964986454 -0.003823025120
 -0.039612519408 -0.015359228031
 -0.119508688488 -0.048145839411
 -0.263338556823 -0.110434601119
 -0.386817830210 -0.174952224606
 -0.293029221807 -0.095745372120
 -0.071898999401  0.248059925943
 -0.001982605787  0.516887802782
 -0.001435817531  0.353140746615
  0.000192129020  0.048615777373
 -0.000070272056 -0.007284987537
  0.000029913247  0.000140270237
    9    1   10
  2.178706404
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572850430
 -0.005772989155
 -0.029842073408
 -0.099716034300
 -0.223496262835
 -0.332815421019
 -0.346468226952
 -0.241020063847
 -0.054407517422
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Gd3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400640.0000      66594.00000      16564.00000      4833.700000
  1594.200000      572.6900000      201.7600000      76.87600000
  34.78700000      10.35160000      4.761800000      2.088900000
 0.8421300000
 0.7134011065E-01 0.8056290927E-01 0.1438308806     0.2474963928
 0.4012108144     0.5292655047     0.6393069100      1.249962072
  1.159903695      1.243396571      2.304891587      1.104850893
 0.1573149933
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0208034      96.04626922      12.61022473
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279739 -0.000001668498
  0.000131163478 -0.000043089209 -0.000017183397
  0.000530468661 -0.000171734273 -0.000067797086
 -0.000311934857  0.000104662366  0.000042486836
  0.001402142718 -0.000441492923 -0.000170385180
  0.003678574073 -0.001145100795 -0.000435809362
  0.013499433366 -0.004243445691 -0.001623663421
  0.040090961620 -0.012868267996 -0.004925900417
  0.106443012195 -0.035723344116 -0.013777829555
  0.232114718395 -0.086623044947 -0.033778119239
  0.364365055237 -0.169078219172 -0.068072915070
  0.307543491093 -0.210080522250 -0.089047859612
  0.080427763934  0.026394433869  0.011731703446
 -0.002091037695  0.532902248734  0.332551531538
  0.003317193040  0.503041002222  0.469130707039
 -0.001365303445  0.088563627636 -0.175655133948
  0.000408717325 -0.001375436104 -0.723834023142
 -0.000326902564  0.002390779998 -0.378179853448
  0.000090791701 -0.000357205958 -0.010658948867
  0.000007820944 -0.000087065816  0.007512457712
   15    2    6    6
  84.87143577      8.830115563
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436746 -0.000006206281
 -0.000246404273 -0.000093688546
 -0.001889033299 -0.000716225083
 -0.009965050705 -0.003823607104
 -0.039612675725 -0.015363114920
 -0.119509411630 -0.048152982197
 -0.263339442660 -0.110465795959
 -0.386824231203 -0.174971710143
 -0.293028810354 -0.095807647458
 -0.071891548565  0.248281002756
 -0.001973549494  0.516894828466
 -0.001440034192  0.353066218618
  0.000195070256  0.048575960794
 -0.000067716190 -0.007640748435
  0.000028701448  0.000410368299
    9    1   10
  2.254110134
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572694702
  0.005771018176
  0.029833666242
  0.099683015087
  0.223444210081
  0.332675141162
  0.346269052619
  0.240179781900
  0.057019465961
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Gd3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Gd3Ga5O12 with orthogonality orbitals
   3.000    2
   20    1
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  -0.000001668498
  -0.000017183397
  -0.000067797086
   0.000042486836
  -0.000170385180
  -0.000435809362
  -0.001623663421
  -0.004925900417
  -0.013777829555
  -0.033778119239
  -0.068072915070
  -0.089047859612
   0.011731703446
   0.332551531538
   0.469130707039
  -0.175655133948
  -0.723834023142
  -0.378179853448
  -0.010658948867
   0.007512457712
   15    1
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  -0.000006206281
  -0.000093688546
  -0.000716225083
  -0.003823607104
  -0.015363114920
  -0.048152982197
  -0.110465795959
  -0.174971710143
  -0.095807647458
   0.248281002756
   0.516894828466
   0.353066218618
   0.048575960794
  -0.007640748435
   0.000410368299
    9    1
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572694702
  0.005771018176
  0.029833666242
  0.099683015087
  0.223444210081
  0.332675141162
  0.346269052619
  0.240179781900
  0.057019465961
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400640.0000      66594.00000      16564.00000      4833.700000
  1594.200000      572.6900000      201.7600000      76.87600000
  34.78700000      10.35160000      4.761800000      2.088900000
 0.8421300000
 0.7134011065E-01 0.8056290927E-01 0.1438308806     0.2474963928
 0.4012108144     0.5292655047     0.6393069100      1.249962072
  1.159903695      1.243396571      2.304891587      1.104850893
 0.1573149933
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0208034      96.04626922      12.61022473
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279739 -0.000001668498
  0.000131163478 -0.000043089209 -0.000017183397
  0.000530468661 -0.000171734273 -0.000067797086
 -0.000311934857  0.000104662366  0.000042486836
  0.001402142718 -0.000441492923 -0.000170385180
  0.003678574073 -0.001145100795 -0.000435809362
  0.013499433366 -0.004243445691 -0.001623663421
  0.040090961620 -0.012868267996 -0.004925900417
  0.106443012195 -0.035723344116 -0.013777829555
  0.232114718395 -0.086623044947 -0.033778119239
  0.364365055237 -0.169078219172 -0.068072915070
  0.307543491093 -0.210080522250 -0.089047859612
  0.080427763934  0.026394433869  0.011731703446
 -0.002091037695  0.532902248734  0.332551531538
  0.003317193040  0.503041002222  0.469130707039
 -0.001365303445  0.088563627636 -0.175655133948
  0.000408717325 -0.001375436104 -0.723834023142
 -0.000326902564  0.002390779998 -0.378179853448
  0.000090791701 -0.000357205958 -0.010658948867
  0.000007820944 -0.000087065816  0.007512457712
   15    2    6    6
  84.87143577      8.830115563
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436746 -0.000006206281
 -0.000246404273 -0.000093688546
 -0.001889033299 -0.000716225083
 -0.009965050705 -0.003823607104
 -0.039612675725 -0.015363114920
 -0.119509411630 -0.048152982197
 -0.263339442660 -0.110465795959
 -0.386824231203 -0.174971710143
 -0.293028810354 -0.095807647458
 -0.071891548565  0.248281002756
 -0.001973549494  0.516894828466
 -0.001440034192  0.353066218618
  0.000195070256  0.048575960794
 -0.000067716190 -0.007640748435
  0.000028701448  0.000410368299
    9    1   10
  2.254110134
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572694702
  0.005771018176
  0.029833666242
  0.099683015087
  0.223444210081
  0.332675141162
  0.346269052619
  0.240179781900
  0.057019465961
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Gd3Ga5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Gd3Ga5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2172166356E-01 -.3183275297E-01 -.6527198086E-01 -.1217270258
 -.2184557352     -.3835536345     -.5103096219     -.4576916772
 -.7592902266     -1.293071505     -1.065370981     -.7170319517E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.33249305      1.967120963
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202102945  0.001318639448
  0.045639539496  0.009596593505
  0.200058683107  0.046772425189
  0.473801738422  0.114473919873
  0.380702201460  0.097662328168
  0.029024814471  0.070029180685
  0.024637699146 -0.463271040192
 -0.005635456248 -0.641096267061
    6    1    6
 0.5116143128
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013141417677
 -0.085000414388
 -0.249280185655
 -0.432420889771
 -0.515006129272
  0.091511740895
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.10. Tb3Ga5O12 (TbGG)
********************************************************************************
*           E.8.10.a. Tb3Ga5O12
*             Structure:
*                    H.Sawada, J. Solid State Chem 132 (1997) 300-307
*                    (Ia-3d; a=12.3474A, x=-0.0282, =0.0547, z=0.1495
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Tb.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-Tb.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Tb3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-O.
********************************************************************************
/Tb.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-Tb.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Tb(3+) in Tb3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  526390.0000      108026.0000      32017.00000      10656.30000
  3852.400000      1432.370000      550.7800000      249.9500000
  86.33200000      44.19200000      9.124700000      5.440400000
  2.189080000      1.082420000     0.5884700000
 0.1841328770     0.1718374365     0.2847684578     0.4469830657
 0.6169296261     0.7716654312      1.357757561      1.686136670
  1.519718629      3.968838079      3.489449318      2.646186843
  1.428178822      1.717180507     0.3769033356
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  3835.949835      645.6788880      147.5730493      31.42405556
  4.339459658
 0.4936064000E+11  5926458300.      1008157400.      204930140.0
  49630464.00      13544932.00      4055933.900      1298688.600
  439272.3300      157245.3100      59168.63000      23125.26100
  9439.635800      4021.409700      1759.060500      786.8704600
  361.4796600      151.7643900      69.82561000      27.83161200
  14.39973200      5.539406900      2.750735600     0.7620653900
 0.3421758000     0.5773643100E-01 0.2407913600E-01
  0.000000155323  0.000000073099  0.000000020585 -0.000000019779  0.000000005922
 -0.000000670504 -0.000000315505 -0.000000088885  0.000000085362 -0.000000025589
  0.000002183195  0.000001027230  0.000000289482 -0.000000277935  0.000000083548
 -0.000006124162 -0.000002906400 -0.000000803848  0.000000790469 -0.000000237498
 -0.000435217139 -0.000156751209 -0.000074410563  0.000034750029 -0.000013651649
 -0.000549306643 -0.000204570127 -0.000091790111  0.000046729903 -0.000017744174
 -0.001441942689 -0.000517361908 -0.000248428130  0.000114031346 -0.000044864406
 -0.002949316455 -0.001098578281 -0.000496898983  0.000250352985 -0.000096595346
 -0.006078935114 -0.002205084416 -0.001053581935  0.000487708277 -0.000186081025
 -0.012256686703 -0.004582622752 -0.002112241640  0.001041560085 -0.000431191858
 -0.024708815836 -0.009244142731 -0.004348013478  0.002081469291 -0.000819998617
 -0.049923997534 -0.019270619328 -0.009016410185  0.004374510843 -0.001760310014
 -0.098211941412 -0.039062692122 -0.018504945385  0.008935437502 -0.003571619427
 -0.183913821212 -0.079391098271 -0.037793029962  0.018386419048 -0.007374301165
 -0.300782319986 -0.145613434784 -0.071502769624  0.034783136636 -0.013957886739
 -0.332966983932 -0.208310093297 -0.105196016523  0.052094020992 -0.020952781686
 -0.168505109603 -0.063679864920 -0.032250357389  0.015088150818 -0.006080701746
 -0.017800799216  0.467368691863  0.377383905444 -0.204696352152  0.084334783159
  0.001668700836  0.590639746387  0.631709397967 -0.383199109430  0.161456651739
 -0.000715656459  0.114502713109 -0.384666505865  0.363062947352 -0.167699886572
  0.000473253809 -0.019746845495 -0.868150782142  1.035882512423 -0.517151619109
 -0.000214967153  0.006844522388 -0.127120727534 -0.579601116541  0.433887465639
  0.000102213886 -0.003318881721  0.018832355578 -0.875614516123  0.807601504208
 -0.000033458304  0.001031954297 -0.004755325745 -0.053287984270 -0.826745385045
  0.000016841351 -0.000496056402  0.002259008214  0.012107511279 -0.559217854900
 -0.000004408654  0.000130103340 -0.000559480653 -0.002144582738  0.024143068559
  0.000002074633 -0.000062746576  0.000268425375  0.001024649933 -0.006006282231
   23    4    6    6    6    6
  574.8104215      125.1264969      23.78195368      2.230075183
  52333798.00      7457206.100      1537804.900      390727.4400
  115481.0800      38572.56500      14259.32800      5740.057900
  2485.689700      1142.939700      552.5390700      278.4783300
  145.2934300      77.64929200      41.84725100      22.92884100
  12.59823000      6.688665500      3.491903600      1.767864000
 0.8198290700     0.3700942400     0.1528582100
 -0.000000177490  0.000000031598  0.000000099417  0.000000074416
  0.000020641806 -0.000009942551 -0.000005091957  0.000001241168
  0.000052559626 -0.000026792937 -0.000011488375  0.000005516016
  0.000151466059 -0.000073142931 -0.000037409450  0.000008671150
  0.000409760340 -0.000204713728 -0.000095357856  0.000039083106
  0.001125042271 -0.000558930233 -0.000267423669  0.000095326689
  0.003136005926 -0.001568157958 -0.000746145468  0.000277020968
  0.008836116721 -0.004449030829 -0.002123528331  0.000777360358
  0.024515438195 -0.012492562987 -0.005977725259  0.002209522035
  0.064185177502 -0.033434671708 -0.016072732671  0.005897354454
  0.146819581903 -0.079219692783 -0.038411763077  0.014249872766
  0.267305950019 -0.151635073287 -0.074363844556  0.027324038508
  0.340899121642 -0.200214760596 -0.099249497628  0.037280664937
  0.250435817667 -0.085510795271 -0.031509411702  0.009700331186
  0.080737093007  0.251508123063  0.181017916989 -0.069723961997
  0.006472714933  0.511679888976  0.404944176146 -0.170480105290
  0.000694121368  0.318539543857  0.163872384504 -0.045110749257
 -0.000389729083  0.059700991644 -0.452531967082  0.231622009456
  0.000094569851  0.001876903246 -0.587203002067  0.387617546956
 -0.000075434598  0.000676716559 -0.186147188505 -0.041612388358
  0.000030015531 -0.000181449165 -0.009794324671 -0.546306957440
 -0.000011354948  0.000071720260 -0.001300977340 -0.561377803112
  0.000002819031 -0.000025102451  0.000595579120 -0.005883320815
   15    2   10   10
  95.18678135      12.90320727
  15348.02100      3986.640900      1420.554500      596.1714200
  277.4859300      137.6827300      71.29713900      37.81903000
  20.48249200      11.12734000      5.995980300      3.217691700
  1.711660200     0.8791102800     0.3777227300
 -0.000058682958  0.000028012578
 -0.000431864066  0.000207261013
 -0.002436378772  0.001168808456
 -0.011036449904  0.005344434542
 -0.039436610697  0.019209957115
 -0.110946597314  0.055165680240
 -0.233918649979  0.116750402033
 -0.345464312037  0.167465479899
 -0.313355706015  0.104610237687
 -0.140632045844 -0.155337877983
 -0.024252287691 -0.402877193850
 -0.001567164522 -0.389271910741
 -0.000147435190 -0.179486586743
 -0.000063645531 -0.036793553763
 -0.000005298992 -0.001869524622
   10    1    7
 0.3624243290
  382.8597600      131.3957200      56.15113300      26.28916300
  12.95412800      6.457282400      3.144453700      1.460998500
 0.6271388300     0.2344312600
  0.000667259444
  0.005785115172
  0.027449405099
  0.084073571410
  0.186075330388
  0.287348793145
  0.329197137542
  0.282350076748
  0.177678621367
  0.058183695830
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gao(3+) in Tb3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  401250.0000      66735.00000      16619.00000      4852.800000
  1600.600000      575.1700000      202.8500000      77.26300000
  34.97900000      10.45440000      4.812500000      2.122300000
 0.8752300000
 0.7128350476E-01 0.8042886088E-01 0.1434697669     0.2469407024
 0.4004442802     0.5286866865     0.6372948046      1.244798794
  1.165468692      1.220918735      2.303635384      1.123829923
 0.1661331978
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.8980787      95.92330281      12.49426825
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491980 -0.000004279719 -0.000001668549
  0.000131163491 -0.000043088996 -0.000017183953
  0.000530468706 -0.000171733452 -0.000067799902
 -0.000311934836  0.000104662074  0.000042495286
  0.001402143056 -0.000441489646 -0.000170369999
  0.003678575032 -0.001145092808 -0.000435725392
  0.013499437701 -0.004243408145 -0.001623434903
  0.040090971707 -0.012868185698 -0.004925001024
  0.106443053705 -0.035723009852 -0.013775939982
  0.232114791513 -0.086622561285 -0.033771567830
  0.364365314334 -0.169076453357 -0.068064595484
  0.307543432583 -0.210080115389 -0.089024961203
  0.080427364544  0.026400127746  0.011710783570
 -0.002091235227  0.532883020235  0.332527213436
  0.003317557084  0.503043451840  0.468889169644
 -0.001365715689  0.088564130903 -0.175195565158
  0.000409341719 -0.001343974591 -0.723868115704
 -0.000327460956  0.002365787862 -0.378434610684
  0.000091024774 -0.000346964386 -0.010686404203
  0.000007768461 -0.000089590241  0.007726273044
   15    2    6    6
  84.74853912      8.715688720
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  0.000016436632  0.000006204517
  0.000246401987  0.000093678025
  0.001889019766  0.000716035075
  0.009964960527  0.003823136395
  0.039612398682  0.015359012457
  0.119508365514  0.048147325755
  0.263337683659  0.110431697678
  0.386816622458  0.174961681043
  0.293028761823  0.095727381821
  0.071902265338 -0.247996645726
  0.001984555884 -0.516954632291
  0.001435109265 -0.353094164204
 -0.000188515595 -0.049218740451
  0.000059340106  0.008978110680
 -0.000025855757 -0.000686794925
    9    1   10
  2.139216285
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572534389
  0.005775196555
  0.029829392778
  0.099755176800
  0.223358897688
  0.333130341582
  0.345805816805
  0.242789538451
  0.052126931136
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Tb3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400800.0000      66646.00000      16583.00000      4841.100000
  1596.900000      573.7200000      202.2800000      77.09100000
  34.89800000      10.40820000      4.789600000      2.106100000
 0.8584400000
 0.7132265984E-01 0.8051466944E-01 0.1437080680     0.2472326022
 0.4008966052     0.5289993246     0.6380354932      1.246794681
  1.163057121      1.231100856      2.304872297      1.115129988
 0.1616689678
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0485914      96.07441091      12.63853061
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279736 -0.000001668827
  0.000131163478 -0.000043089139 -0.000017188149
  0.000530468657 -0.000171734101 -0.000067813223
 -0.000311934851  0.000104662418  0.000042499469
  0.001402142657 -0.000441493011 -0.000170403903
  0.003678574200 -0.001145095549 -0.000435898917
  0.013499432331 -0.004243452759 -0.001623701517
  0.040090963659 -0.012868196739 -0.004927106590
  0.106442999820 -0.035723454757 -0.013777497536
  0.232114739988 -0.086622384201 -0.033788492649
  0.364364981508 -0.169079373508 -0.068063589364
  0.307543639075 -0.210076510999 -0.089104313244
  0.080427432988  0.026385202529  0.011854837349
 -0.002090356197  0.532920398155  0.332301430370
  0.003316198104  0.503002845073  0.469761197983
 -0.001363869805  0.088629280353 -0.176772072927
  0.000406990892 -0.001454637538 -0.722090974075
 -0.000325546365  0.002459796679 -0.380396086923
  0.000089608200 -0.000422348432 -0.008381007385
  0.000008127870 -0.000070622937  0.007056156098
   15    2    6    6
  84.89960165      8.860756063
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436677 -0.000006206639
 -0.000246403512 -0.000093687993
 -0.001889025617 -0.000716261141
 -0.009965018335 -0.003823596833
 -0.039612507167 -0.015363870486
 -0.119509004611 -0.048152577484
 -0.263338194232 -0.110472205988
 -0.386823029191 -0.174964015174
 -0.293027782548 -0.095834751572
 -0.071896696604  0.248306348501
 -0.001974064568  0.516803287862
 -0.001441696019  0.353327555435
  0.000194461334  0.048737950432
 -0.000059089244 -0.008978424726
  0.000025124098  0.000912924603
    9    1   10
  2.285357008
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572536489
  0.005773409981
  0.029828187177
  0.099724864704
  0.223371168969
  0.332956596746
  0.345843964387
  0.241675375592
  0.054619819139
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Tb3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Tb3Ga5O12 with orthogonality functions
   3.000    2
   20    1
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  -0.000001668827
  -0.000017188149
  -0.000067813223
   0.000042499469
  -0.000170403903
  -0.000435898917
  -0.001623701517
  -0.004927106590
  -0.013777497536
  -0.033788492649
  -0.068063589364
  -0.089104313244
   0.011854837349
   0.332301430370
   0.469761197983
  -0.176772072927
  -0.722090974075
  -0.380396086923
  -0.008381007385
   0.007056156098
   15    1
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  -0.000006206639
  -0.000093687993
  -0.000716261141
  -0.003823596833
  -0.015363870486
  -0.048152577484
  -0.110472205988
  -0.174964015174
  -0.095834751572
   0.248306348501
   0.516803287862
   0.353327555435
   0.048737950432
  -0.008978424726
   0.000912924603
    9    1
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572536489
  0.005773409981
  0.029828187177
  0.099724864704
  0.223371168969
  0.332956596746
  0.345843964387
  0.241675375592
  0.054619819139
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400800.0000      66646.00000      16583.00000      4841.100000
  1596.900000      573.7200000      202.2800000      77.09100000
  34.89800000      10.40820000      4.789600000      2.106100000
 0.8584400000
 0.7132265984E-01 0.8051466944E-01 0.1437080680     0.2472326022
 0.4008966052     0.5289993246     0.6380354932      1.246794681
  1.163057121      1.231100856      2.304872297      1.115129988
 0.1616689678
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0485914      96.07441091      12.63853061
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279736 -0.000001668827
  0.000131163478 -0.000043089139 -0.000017188149
  0.000530468657 -0.000171734101 -0.000067813223
 -0.000311934851  0.000104662418  0.000042499469
  0.001402142657 -0.000441493011 -0.000170403903
  0.003678574200 -0.001145095549 -0.000435898917
  0.013499432331 -0.004243452759 -0.001623701517
  0.040090963659 -0.012868196739 -0.004927106590
  0.106442999820 -0.035723454757 -0.013777497536
  0.232114739988 -0.086622384201 -0.033788492649
  0.364364981508 -0.169079373508 -0.068063589364
  0.307543639075 -0.210076510999 -0.089104313244
  0.080427432988  0.026385202529  0.011854837349
 -0.002090356197  0.532920398155  0.332301430370
  0.003316198104  0.503002845073  0.469761197983
 -0.001363869805  0.088629280353 -0.176772072927
  0.000406990892 -0.001454637538 -0.722090974075
 -0.000325546365  0.002459796679 -0.380396086923
  0.000089608200 -0.000422348432 -0.008381007385
  0.000008127870 -0.000070622937  0.007056156098
   15    2    6    6
  84.89960165      8.860756063
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436677 -0.000006206639
 -0.000246403512 -0.000093687993
 -0.001889025617 -0.000716261141
 -0.009965018335 -0.003823596833
 -0.039612507167 -0.015363870486
 -0.119509004611 -0.048152577484
 -0.263338194232 -0.110472205988
 -0.386823029191 -0.174964015174
 -0.293027782548 -0.095834751572
 -0.071896696604  0.248306348501
 -0.001974064568  0.516803287862
 -0.001441696019  0.353327555435
  0.000194461334  0.048737950432
 -0.000059089244 -0.008978424726
  0.000025124098  0.000912924603
    9    1   10
  2.285357008
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572536489
  0.005773409981
  0.029828187177
  0.099724864704
  0.223371168969
  0.332956596746
  0.345843964387
  0.241675375592
  0.054619819139
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Tb3Ga5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Tb3Ga5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2175875463E-01 -.3179373708E-01 -.6529225933E-01 -.1218062138
 -.2183649759     -.3838920962     -.5099817698     -.4588702238
 -.7579693477     -1.297892700     -1.062625549     -.6975237249E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.41854928      2.060518520
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202045737  0.001317354867
  0.045639299719  0.009586680182
  0.200056273322  0.046727874649
  0.473804131528  0.114325510386
  0.380731883279  0.097459504029
  0.028994087260  0.070033145558
  0.024639022713 -0.461663764618
 -0.005622247740 -0.642514454065
    6    1    6
 0.6018227928
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013145683794
 -0.085183320183
 -0.249038290548
 -0.434584646450
 -0.513136598099
  0.092811926543
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.11. Dy3Ga5O12 (DyGG)
********************************************************************************
*           E.8.11.a. Dy3Ga5O12
*             Structure:
*                    G.Patzke et al., Zeitschrift fur Kristallographie - NCS (1999)
*                    (Ia-3d; a=12.3060A, x=-0.0278, =0.0549, z=0.1499)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Dy.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-Dy.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Dy3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-O.
********************************************************************************
/Dy.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-Dy.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Dy(3+) in Dy3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  529970.0000      109337.0000      32514.00000      10844.10000
  3930.800000      1462.680000      563.5500000      256.2300000
  88.18300000      45.71400000      9.511500000      5.537000000
  2.187380000      1.087230000     0.5877400000
 0.1878887589     0.1745451939     0.2889431030     0.4519385576
 0.6209037842     0.7808122217      1.380232869      1.680791819
  1.572935518      3.941802483      3.643423930      2.731820126
  1.537636402      1.661871528     0.3444537155
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  3967.903887      670.6279335      153.6219658      32.55915322
  4.378530881
 0.6721450200E+11  6077568400.      944890800.0      208295630.0
  51192202.00      13811530.00      4113756.000      1317149.800
  443336.6800      157879.9300      59337.89900      23240.25100
  9486.996100      4034.540000      1767.046800      792.3410800
  365.0806000      155.1894100      71.73039000      28.70488400
  14.88283900      5.837997500      2.874954500     0.7956706500
 0.3545239800     0.5759346300E-01 0.2381190100E-01
  0.000000044374  0.000000029329  0.000000003092 -0.000000008822  0.000000002524
 -0.000000222407 -0.000000147641 -0.000000015283  0.000000044473 -0.000000012730
  0.000000764056  0.000000527034  0.000000045769 -0.000000160630  0.000000045673
 -0.000000829637 -0.000001014087  0.000000100894  0.000000348935 -0.000000089137
 -0.000457257978 -0.000165474818 -0.000078659533  0.000036940124 -0.000014400290
 -0.000581606687 -0.000217247425 -0.000097969840  0.000049635881 -0.000018979518
 -0.001511529958 -0.000545119068 -0.000261996678  0.000121143390 -0.000047173813
 -0.003089119395 -0.001154774786 -0.000524446863  0.000263481133 -0.000102041449
 -0.006398525038 -0.002333281001 -0.001116104874  0.000520106280 -0.000197276025
 -0.012877171492 -0.004835269644 -0.002236007322  0.001101856925 -0.000453580914
 -0.025776631487 -0.009695388792 -0.004571550542  0.002194423683 -0.000860408030
 -0.051725456622 -0.020073273129 -0.009418357011  0.004576277934 -0.001832365754
 -0.101611778595 -0.040692465276 -0.019333851549  0.009355151505 -0.003720383862
 -0.188763947149 -0.082123915827 -0.039220917195  0.019115323622 -0.007629775261
 -0.303533674636 -0.148523043284 -0.073224751471  0.035701598056 -0.014252446098
 -0.328801756454 -0.207445226328 -0.105125598798  0.052169723230 -0.020888197446
 -0.160491131841 -0.052298950628 -0.025671270517  0.011747305264 -0.004684367204
 -0.016126218791  0.475041401698  0.387466337254 -0.211095024447  0.086533454547
  0.001319239126  0.581522950829  0.624308351877 -0.380254659767  0.159605114174
 -0.000531098990  0.111316816077 -0.403764793114  0.382833847747 -0.176513167925
  0.000360249148 -0.019501811008 -0.854751507646  1.028128416326 -0.510527155229
 -0.000161619485  0.006752789575 -0.123746981881 -0.580874722729  0.428291498061
  0.000073008430 -0.003180706616  0.016340803626 -0.881184206477  0.809616111238
 -0.000023617406  0.000976289207 -0.004106488633 -0.053863538558 -0.814892122108
  0.000011868214 -0.000461739686  0.001921893823  0.012109895646 -0.565833993948
 -0.000003030278  0.000118650335 -0.000464412238 -0.002181985374  0.017728849098
  0.000001417782 -0.000057605320  0.000224257884  0.001053529704 -0.003157554448
   23    4    6    6    6    6
  596.2596767      130.1796184      24.59116381      2.202644617
  52440248.00      7469553.600      1541307.300      390397.5700
  115424.5900      38636.40600      14258.54400      5741.160100
  2486.072300      1142.916300      552.5360600      278.4018000
  145.3220600      77.66635900      41.83035700      22.95891500
  12.60513400      6.694293300      3.493472300      1.763260300
 0.8196638100     0.3699807900     0.1525006900
 -0.000000116957 -0.000000124523  0.000000032241 -0.000000086375
 -0.000022063090 -0.000010639817 -0.000005459987 -0.000001409793
 -0.000056253817 -0.000028868636 -0.000012403396 -0.000005655911
 -0.000162660105 -0.000078607261 -0.000040332286 -0.000010007060
 -0.000436662164 -0.000219107685 -0.000102218506 -0.000040988393
 -0.001198461172 -0.000597444929 -0.000286496736 -0.000101685023
 -0.003340248021 -0.001676757496 -0.000799396742 -0.000293904748
 -0.009364067658 -0.004733737517 -0.002264611473 -0.000822717516
 -0.025911538354 -0.013262942462 -0.006359793749 -0.002329478792
 -0.067420276933 -0.035297776557 -0.017012874241 -0.006194952821
 -0.152908140837 -0.082987324350 -0.040337184855 -0.014827712011
 -0.274338269483 -0.156627837781 -0.077066985900 -0.028116019049
 -0.340998296802 -0.200388847801 -0.099389752479 -0.036948643684
 -0.241213117020 -0.071032031893 -0.022861751408 -0.006452106411
 -0.072980106740  0.276456961018  0.199836981978  0.076953832664
 -0.005224480570  0.513433995498  0.409922055385  0.170550126469
 -0.000591974763  0.297013751054  0.126476901890  0.028290470488
  0.000349410633  0.050757394245 -0.483719980346 -0.247787267758
 -0.000076540576  0.001760632807 -0.567920365962 -0.372270576559
  0.000062233551  0.000482354068 -0.165487690010  0.069978113739
 -0.000024877435 -0.000110686259 -0.007715966153  0.557768840420
  0.000009306877  0.000043063635 -0.001225335715  0.531904596163
 -0.000002314012 -0.000015790632  0.000490318979  0.010042765830
   15    2   10   10
  99.26910084      13.33926123
  15533.20600      4007.721300      1419.133800      595.8089300
  277.5791000      137.6802900      71.30574300      37.81334200
  20.47626000      11.12570000      5.986831100      3.216501000
  1.714656200     0.8813605400     0.3769442600
  0.000062688781  0.000030040471
  0.000467108330  0.000225001773
  0.002645831153  0.001274462454
  0.011855558860  0.005764700777
  0.042085504009  0.020594906043
  0.117247167148  0.058588982749
  0.242963586787  0.121676929376
  0.350767782252  0.169809567890
  0.304390406598  0.092559762551
  0.128711536686 -0.178422861664
  0.020646901435 -0.412113358598
  0.001302184259 -0.375388837434
  0.000170003965 -0.165562494714
  0.000058356783 -0.032423140347
  0.000006943817 -0.001662219585
   10    1    9
 0.4432099078
  382.4941200      131.2397600      56.11926000      26.28078200
  12.96401500      6.460345500      3.147103100      1.463683100
 0.6296336200     0.2356707200
  0.000754022807
  0.006488748956
  0.030276869979
  0.091368425067
  0.196790059399
  0.294793995763
  0.327518799939
  0.273027522285
  0.164659475083
  0.050310817171
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gao(3+) in Dy3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400970.0000      66696.00000      16615.00000      4849.000000
  1598.900000      574.5900000      202.6300000      77.19900000
  34.94800000      10.43330000      4.799500000      2.111800000
 0.8608800000
 0.7131206821E-01 0.8041996350E-01 0.1435041105     0.2471683329
 0.4006303238     0.5287481041     0.6375522070      1.245490144
  1.164619491      1.226263631      2.305432409      1.119758557
 0.1624339907
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.8818555      95.90689209      12.47687897
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491980 -0.000004279725 -0.000001668300
  0.000131163490 -0.000043089083 -0.000017180385
  0.000530468703 -0.000171733725 -0.000067787616
 -0.000311934841  0.000104662152  0.000042484287
  0.001402143070 -0.000441489852 -0.000170361000
  0.003678574848 -0.001145097250 -0.000435677454
  0.013499438075 -0.004243405104 -0.001623478166
  0.040090969212 -0.012868244989 -0.004924293404
  0.106443058972 -0.035722945870 -0.013776824649
  0.232114768253 -0.086623093204 -0.033765092691
  0.364365349215 -0.169075680393 -0.068074946093
  0.307543322712 -0.210083189432 -0.088985485078
  0.080427650629  0.026406750548  0.011616062329
 -0.002091728217  0.532870401467  0.332737641377
  0.003318275311  0.503071964195  0.468431564548
 -0.001366752660  0.088515831427 -0.174358173063
  0.000410565819 -0.001287590323 -0.725259570486
 -0.000328392978  0.002317727415 -0.376796813542
  0.000091699857 -0.000309420662 -0.012051773265
  0.000007697636 -0.000093251779  0.007755319386
   15    2    6    6
  84.73212559      8.697087960
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436678 -0.000006204665
 -0.000246402601 -0.000093676557
 -0.001889025019 -0.000716049103
 -0.009964985923 -0.003823086321
 -0.039612512350 -0.015359321939
 -0.119508677962 -0.048146645998
 -0.263338498056 -0.110435029332
 -0.386817957628 -0.174956366508
 -0.293029191530 -0.095741920607
 -0.071898977871  0.248054020100
 -0.001982550778  0.516913950169
 -0.001435729715  0.353102141553
  0.000191548070  0.048728740119
 -0.000068634383 -0.007543915243
  0.000029394915  0.000198145347
    9    1   10
  2.120101280
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572794406
 -0.005773064953
 -0.029839603546
 -0.099717521021
 -0.223473135905
 -0.332841419335
 -0.346373089984
 -0.241183354830
 -0.054315746574
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Dy3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400980.0000      66618.00000      16574.00000      4836.000000
  1594.300000      572.6700000      201.7600000      76.87700000
  34.78900000      10.35360000      4.763200000      2.089900000
 0.8431800000
 0.7131955389E-01 0.8055338640E-01 0.1437593128     0.2475247250
 0.4013025357     0.5292567542     0.6392989837      1.249911174
  1.159891728      1.242828435      2.304682297      1.105364435
 0.1576400124
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0128935      96.03841748      12.60206357
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279740 -0.000001668549
  0.000131163478 -0.000043089208 -0.000017184148
  0.000530468659 -0.000171734285 -0.000067799604
 -0.000311934858  0.000104662383  0.000042488611
  0.001402142697 -0.000441493064 -0.000170389147
  0.003678574048 -0.001145100494 -0.000435825773
  0.013499433070 -0.004243448031 -0.001623684782
  0.040090961428 -0.012868262850 -0.004926109985
  0.106443009035 -0.035723370589 -0.013777925583
  0.232114717799 -0.086622985994 -0.033779836570
  0.364365036857 -0.169078427056 -0.068072385556
  0.307543509879 -0.210080063898 -0.089056271512
  0.080427742327  0.026393117094  0.011748050864
 -0.002090951480  0.532905151721  0.332522763464
  0.003317064655  0.503036371627  0.469221769355
 -0.001365122082  0.088571469466 -0.175813701159
  0.000408492660 -0.001386037568 -0.723620404844
 -0.000326721445  0.002400010285 -0.378452696485
  0.000090640828 -0.000365477895 -0.010383600684
  0.000007838254 -0.000086206941  0.007504839923
   15    2    6    6
  84.86358722      8.822284623
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436741 -0.000006206361
 -0.000246404249 -0.000093689576
 -0.001889032772 -0.000716234097
 -0.009965049406 -0.003823649436
 -0.039612663216 -0.015363307636
 -0.119509391610 -0.048153507708
 -0.263339341857 -0.110467212008
 -0.386824342507 -0.174973582415
 -0.293028711277 -0.095809487011
 -0.071891764023  0.248285262008
 -0.001973341992  0.516900634233
 -0.001440251469  0.353067742714
  0.000194952573  0.048625932944
 -0.000066531098 -0.007838686288
  0.000028246957  0.000472297047
    9    1   10
  2.246397021
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572658535
  0.005771180283
  0.029832148310
  0.099685943518
  0.223429011582
  0.332702604797
  0.346198066599
  0.240327546351
  0.056874604182
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Dy3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Dy3Ga5O12 with orthogonality orbitals
   3.000    2
   20    1
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  -0.000001668549
  -0.000017184148
  -0.000067799604
   0.000042488611
  -0.000170389147
  -0.000435825773
  -0.001623684782
  -0.004926109985
  -0.013777925583
  -0.033779836570
  -0.068072385556
  -0.089056271512
   0.011748050864
   0.332522763464
   0.469221769355
  -0.175813701159
  -0.723620404844
  -0.378452696485
  -0.010383600684
   0.007504839923
   15    1
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  -0.000006206361
  -0.000093689576
  -0.000716234097
  -0.003823649436
  -0.015363307636
  -0.048153507708
  -0.110467212008
  -0.174973582415
  -0.095809487011
   0.248285262008
   0.516900634233
   0.353067742714
   0.048625932944
  -0.007838686288
   0.000472297047
    9    1
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572658535
  0.005771180283
  0.029832148310
  0.099685943518
  0.223429011582
  0.332702604797
  0.346198066599
  0.240327546351
  0.056874604182
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400980.0000      66618.00000      16574.00000      4836.000000
  1594.300000      572.6700000      201.7600000      76.87700000
  34.78900000      10.35360000      4.763200000      2.089900000
 0.8431800000
 0.7131955389E-01 0.8055338640E-01 0.1437593128     0.2475247250
 0.4013025357     0.5292567542     0.6392989837      1.249911174
  1.159891728      1.242828435      2.304682297      1.105364435
 0.1576400124
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0128935      96.03841748      12.60206357
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279740 -0.000001668549
  0.000131163478 -0.000043089208 -0.000017184148
  0.000530468659 -0.000171734285 -0.000067799604
 -0.000311934858  0.000104662383  0.000042488611
  0.001402142697 -0.000441493064 -0.000170389147
  0.003678574048 -0.001145100494 -0.000435825773
  0.013499433070 -0.004243448031 -0.001623684782
  0.040090961428 -0.012868262850 -0.004926109985
  0.106443009035 -0.035723370589 -0.013777925583
  0.232114717799 -0.086622985994 -0.033779836570
  0.364365036857 -0.169078427056 -0.068072385556
  0.307543509879 -0.210080063898 -0.089056271512
  0.080427742327  0.026393117094  0.011748050864
 -0.002090951480  0.532905151721  0.332522763464
  0.003317064655  0.503036371627  0.469221769355
 -0.001365122082  0.088571469466 -0.175813701159
  0.000408492660 -0.001386037568 -0.723620404844
 -0.000326721445  0.002400010285 -0.378452696485
  0.000090640828 -0.000365477895 -0.010383600684
  0.000007838254 -0.000086206941  0.007504839923
   15    2    6    6
  84.86358722      8.822284623
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436741 -0.000006206361
 -0.000246404249 -0.000093689576
 -0.001889032772 -0.000716234097
 -0.009965049406 -0.003823649436
 -0.039612663216 -0.015363307636
 -0.119509391610 -0.048153507708
 -0.263339341857 -0.110467212008
 -0.386824342507 -0.174973582415
 -0.293028711277 -0.095809487011
 -0.071891764023  0.248285262008
 -0.001973341992  0.516900634233
 -0.001440251469  0.353067742714
  0.000194952573  0.048625932944
 -0.000066531098 -0.007838686288
  0.000028246957  0.000472297047
    9    1   10
  2.246397021
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572658535
  0.005771180283
  0.029832148310
  0.099685943518
  0.223429011582
  0.332702604797
  0.346198066599
  0.240327546351
  0.056874604182
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Dy3Ga5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Dy3Ga5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2175991953E-01 -.3179457057E-01 -.6529700774E-01 -.1218079033
 -.2183823296     -.3838963635     -.5100260697     -.4588352862
 -.7581128743     -1.298334144     -1.062021195     -.6973233635E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.33542970      1.977279864
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202040825  0.001317898326
  0.045639197574  0.009592499032
  0.200056202943  0.046740811012
  0.473800695735  0.114478203709
  0.380723987840  0.097849442735
  0.029002092714  0.069755439042
  0.024650835564 -0.462653205440
 -0.005633002236 -0.641677962050
    6    1    6
 0.5191874392
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013143884027
 -0.085175592256
 -0.248995617223
 -0.434712631186
 -0.512966603992
  0.092657325091
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.12. Ho3Ga5O12 (HoGG)
********************************************************************************
*           E.8.12.a. Ho3Ga5O12
*             Structure:
*                    G.Patzke et al., Zeitschrift fur Kristallographie - NCS (1999)
*                    (Ia-3d; a=12.3060A, x=-0.0278, =0.0549, z=0.1499)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Ho.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-Ho.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Ho3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-O.
********************************************************************************
/Ho.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-Ho.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Ho(3+) in Ho3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  528770.0000      108909.0000      32404.00000      10844.20000
  3932.200000      1455.230000      563.8900000      258.4300000
  88.75200000      47.07500000      9.887400000      5.623800000
  2.196380000      1.098730000     0.6058500000
 0.1929013560     0.1794259097     0.2959132026     0.4600609748
 0.6314036651     0.8008001435      1.420073610      1.648804920
  1.652997769      3.873689665      3.811566853      2.804669957
  1.629575542      1.594370533     0.3370792369
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  4102.677065      696.2915348      159.9325047      33.84012515
  4.548668386
 0.5787652300E+11  6285011100.      1045296700.      209451370.0
  51656671.00      14119209.00      4152460.100      1324709.400
  448022.7400      159208.7600      59306.91700      23231.07700
  9504.675600      4033.387900      1768.484700      797.5870000
  369.7310800      159.0650100      73.77257900      29.69960500
  15.39441300      6.053188000      2.975108800     0.8191590500
 0.3638196000     0.5985895400E-01 0.2468695600E-01
  0.000000082394  0.000000044358  0.000000007919 -0.000000013025  0.000000002711
 -0.000000374547 -0.000000201912 -0.000000035883  0.000000059332 -0.000000012351
  0.000001208992  0.000000659204  0.000000112572 -0.000000194801  0.000000040116
 -0.000002473607 -0.000001552097 -0.000000140883  0.000000487886 -0.000000084846
 -0.000480319358 -0.000174778722 -0.000083282277  0.000039149461 -0.000015379663
 -0.000606519277 -0.000227023068 -0.000102640313  0.000052173647 -0.000019566624
 -0.001606626067 -0.000583247790 -0.000280783990  0.000130045938 -0.000051349178
 -0.003236594957 -0.001213112121 -0.000552264506  0.000278324682 -0.000105968141
 -0.006662374832 -0.002444076566 -0.001172026812  0.000546724318 -0.000210249477
 -0.013543924493 -0.005104877627 -0.002367103605  0.001168103350 -0.000474087127
 -0.027132027627 -0.010263900788 -0.004851699166  0.002332911098 -0.000914500813
 -0.053680867709 -0.020945739289 -0.009854006252  0.004796359985 -0.001909264249
 -0.105170643615 -0.042421450108 -0.020214796488  0.009796814523 -0.003880887831
 -0.194397405344 -0.085260155546 -0.040848192690  0.019948571266 -0.007924444273
 -0.305827725452 -0.151390990610 -0.074951789761  0.036601754532 -0.014551037436
 -0.322666582052 -0.205127755749 -0.104262721787  0.051893225219 -0.020677077614
 -0.153184658439 -0.041918048788 -0.019619560078  0.008543553409 -0.003392282713
 -0.014844839784  0.480806978869  0.395746279791 -0.216181361140  0.088300909683
  0.001047305057  0.574093492159  0.618409861067 -0.378676759347  0.158204043974
 -0.000382941137  0.108012108101 -0.418315843028  0.400433951049 -0.183689234163
  0.000264180603 -0.018438255729 -0.846728351137  1.019062695916 -0.504399650401
 -0.000116269814  0.006313057384 -0.120850913492 -0.597265317160  0.439299185221
  0.000050362925 -0.002950713289  0.015787391224 -0.869807498378  0.792708414603
 -0.000016199043  0.000900534414 -0.003970769499 -0.052565153630 -0.817134641958
  0.000008338324 -0.000427031448  0.001865910533  0.011964648198 -0.560138232006
 -0.000002137836  0.000110935276 -0.000455424837 -0.002169294253  0.019548965880
  0.000000976871 -0.000053618860  0.000219032320  0.001044465267 -0.004001291394
   23    4    6    6    6    6
  618.2521140      135.4510387      25.53473153      2.301567057
  51644258.00      7576760.900      1540884.600      388722.8400
  115737.2300      38629.09800      14264.85400      5741.046300
  2486.429700      1142.912800      552.5251800      278.3524300
  145.2915300      77.67004500      41.83299000      22.97430800
  12.58357400      6.700012400      3.499661900      1.764171900
 0.8189240500     0.3697583900     0.1526556400
  0.000000411188 -0.000000277020  0.000000035567 -0.000000098837
  0.000023376089 -0.000011309774  0.000005799070 -0.000001568715
  0.000061100548 -0.000031432630  0.000013621321 -0.000005858535
  0.000173139865 -0.000083953104  0.000043071083 -0.000011243683
  0.000465103588 -0.000234184706  0.000109507792 -0.000042955150
  0.001278843707 -0.000639778017  0.000307342166 -0.000108408109
  0.003547593380 -0.001787434200  0.000853711880 -0.000310496320
  0.009927805404 -0.005038493470  0.002415490290 -0.000869320816
  0.027342284892 -0.014055943578  0.006752740393 -0.002448579078
  0.070774925326 -0.037239392633  0.017993102967 -0.006489840752
  0.159004197997 -0.086786231189  0.042275559819 -0.015385566609
  0.281271013339 -0.161598811981  0.079767966427 -0.028830271909
  0.340683402355 -0.200017207442  0.099165393905 -0.036483824406
  0.231474135531 -0.055599942925  0.013631406776 -0.002909587318
  0.065843729095  0.300862812208 -0.218871289761  0.083801245005
  0.004173436495  0.513902650838 -0.412671985758  0.169870180667
  0.000522412758  0.275206453832 -0.087171835357  0.009845879700
 -0.000329235610  0.042404465161  0.510406902788 -0.259390850741
  0.000071336991  0.001892368790  0.546417816444 -0.357616987425
 -0.000055951763  0.000239746076  0.147974434988  0.099526436651
  0.000022529304 -0.000018763365  0.006239843879  0.560973900316
 -0.000008404158  0.000008504899  0.001189224986  0.514996084990
  0.000002066101 -0.000007580878 -0.000520238198  0.004803774609
   15    2   10   10
  103.5433297      13.90224670
  16015.42300      4009.432500      1416.751000      596.0113300
  277.5437200      137.6970000      71.30913800      37.80807700
  20.47839900      11.11284800      5.982255800      3.215684600
  1.713187900     0.8830239900     0.3775287000
  0.000066369706  0.000031910917
  0.000510500993  0.000246766259
  0.002856038652  0.001380500370
  0.012719591448  0.006209058026
  0.044885776933  0.022054502576
  0.123592365132  0.062053369076
  0.252094381265  0.126574682416
  0.354958345704  0.171486179021
  0.294948638544  0.079168812133
  0.117673453678 -0.200546207865
  0.017282817508 -0.418504332018
  0.001266675722 -0.362469178227
  0.000106925174 -0.152307263026
  0.000084120890 -0.028520418792
  0.000001801118 -0.001431245978
   10    1   10
 0.6533994959
  381.8290500      131.0052800      56.06871900      26.27559400
  12.97521100      6.461493700      3.149036400      1.467906200
 0.6316961200     0.2371018800
 -0.000849894481
 -0.007249741612
 -0.033242541080
 -0.098731794556
 -0.207038963949
 -0.301249579479
 -0.324605053482
 -0.263450433512
 -0.154435860979
 -0.041900595426
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gao(3+) in Ho3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  401400.0000      66793.00000      16632.00000      4856.300000
  1601.700000      575.5900000      203.0600000      77.34900000
  35.02000000      10.46790000      4.815300000      2.121300000
 0.8704900000
 0.7125830211E-01 0.8038651209E-01 0.1434234869     0.2468514770
 0.4003154633     0.5285707137     0.6367563486      1.243584282
  1.166766570      1.219169864      2.305738100      1.125298453
 0.1652137600
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.9645753      95.98973622      12.56040883
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491980 -0.000004279721 -0.000001668454
  0.000131163490 -0.000043089026 -0.000017182594
  0.000530468705 -0.000171733544 -0.000067795233
 -0.000311934838  0.000104662099  0.000042491149
  0.001402143062 -0.000441489684 -0.000170366414
  0.003678574964 -0.001145094387 -0.000435706534
  0.013499437851 -0.004243406554 -0.001623449072
  0.040090970776 -0.012868207056 -0.004924725424
  0.106443055793 -0.035722981741 -0.013776256263
  0.232114782805 -0.086622755671 -0.033769061402
  0.364365328121 -0.169076139782 -0.068068424834
  0.307543390538 -0.210081266701 -0.089009839767
  0.080427472229  0.026402667268  0.011674813237
 -0.002091422559  0.532878063012  0.332606420842
  0.003317831003  0.503054231598  0.468714160866
 -0.001366110587  0.088545915906 -0.174875158396
  0.000409808202 -0.001322434686 -0.724395145994
 -0.000327816796  0.002347441251 -0.377814286265
  0.000091285482 -0.000332483363 -0.011206064465
  0.000007740907 -0.000091010142  0.007736068444
   15    2    6    6
  84.81496907      8.781342969
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436648 -0.000006204581
 -0.000246402198 -0.000093677568
 -0.001889021594 -0.000716041246
 -0.009964969266 -0.003823121511
 -0.039612438318 -0.015359147823
 -0.119508472957 -0.048147117586
 -0.263337967848 -0.110433086406
 -0.386817073046 -0.174959808923
 -0.293028914384 -0.095733075858
 -0.071901147748  0.248018046096
 -0.001983833474  0.516939725229
 -0.001435359238  0.353101021259
  0.000189676527  0.049029305967
 -0.000062887243 -0.008441036641
  0.000027214961  0.000498849935
    9    1   10
  2.204661956
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572636571
  0.005774437752
  0.029833460690
  0.099741750567
  0.223403538602
  0.333024241363
  0.346023529035
  0.242187009324
  0.052925841421
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Ho3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400210.0000      66545.00000      16559.00000      4831.500000
  1593.400000      572.3700000      201.6600000      76.87700000
  34.80000000      10.36390000      4.769600000      2.094800000
 0.8503900000
 0.7138167750E-01 0.8055662510E-01 0.1438545379     0.2475927235
 0.4013211503     0.5293527990     0.6392580487      1.249351097
  1.159922233      1.240181138      2.304111146      1.107552542
 0.1588976155
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0269795      96.05270810      12.61641884
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279738 -0.000001668741
  0.000131163477 -0.000043089166 -0.000017186918
  0.000530468657 -0.000171734181 -0.000067809011
 -0.000311934854  0.000104662405  0.000042496006
  0.001402142658 -0.000441493150 -0.000170399815
  0.003678574115 -0.001145097478 -0.000435877719
  0.013499432416 -0.004243452718 -0.001623703147
  0.040090962561 -0.012868221484 -0.004926812183
  0.106443001322 -0.035723440800 -0.013777692952
  0.232114730075 -0.086622598923 -0.033785898225
  0.364364990177 -0.169079137379 -0.068066681043
  0.307543599168 -0.210077681322 -0.089089509247
  0.080427548483  0.026387553334  0.011820997517
 -0.002090543722  0.532916211721  0.332373753706
  0.003316467740  0.503013649713  0.469594766673
 -0.001364263809  0.088610384154 -0.176478470452
  0.000407458941 -0.001433479223 -0.722585975846
 -0.000325910969  0.002441188231 -0.379746711006
  0.000089955123 -0.000403131859 -0.009082324086
  0.000008009284 -0.000077104762  0.007263594393
   15    2    6    6
  84.87788807      8.837908044
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436703 -0.000006206581
 -0.000246403845 -0.000093689472
 -0.001889028551 -0.000716256492
 -0.009965032152 -0.003823652339
 -0.039612570436 -0.015363778214
 -0.119509173909 -0.048153388894
 -0.263338650509 -0.110471170878
 -0.386823749833 -0.174969623056
 -0.293028115339 -0.095825251134
 -0.071894577737  0.248301656094
 -0.001973509558  0.516850106984
 -0.001441248311  0.353211491289
  0.000194605425  0.048726864800
 -0.000061574383 -0.008612669713
  0.000026275058  0.000748431188
    9    1   10
  2.262383878
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572560990
 -0.005772512592
 -0.029828672689
 -0.099709291351
 -0.223384509948
 -0.332862454679
 -0.345944900899
 -0.241181068217
 -0.055541081652
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Ho3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Ho3Ga5O12 with orthogonality functions
   3.000    2
   20    1
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  -0.000001668741
  -0.000017186918
  -0.000067809011
   0.000042496006
  -0.000170399815
  -0.000435877719
  -0.001623703147
  -0.004926812183
  -0.013777692952
  -0.033785898225
  -0.068066681043
  -0.089089509247
   0.011820997517
   0.332373753706
   0.469594766673
  -0.176478470452
  -0.722585975846
  -0.379746711006
  -0.009082324086
   0.007263594393
   15    1
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  -0.000006206581
  -0.000093689472
  -0.000716256492
  -0.003823652339
  -0.015363778214
  -0.048153388894
  -0.110471170878
  -0.174969623056
  -0.095825251134
   0.248301656094
   0.516850106984
   0.353211491289
   0.048726864800
  -0.008612669713
   0.000748431188
    9    1
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572560990
 -0.005772512592
 -0.029828672689
 -0.099709291351
 -0.223384509948
 -0.332862454679
 -0.345944900899
 -0.241181068217
 -0.055541081652
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400210.0000      66545.00000      16559.00000      4831.500000
  1593.400000      572.3700000      201.6600000      76.87700000
  34.80000000      10.36390000      4.769600000      2.094800000
 0.8503900000
 0.7138167750E-01 0.8055662510E-01 0.1438545379     0.2475927235
 0.4013211503     0.5293527990     0.6392580487      1.249351097
  1.159922233      1.240181138      2.304111146      1.107552542
 0.1588976155
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0269795      96.05270810      12.61641884
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279738 -0.000001668741
  0.000131163477 -0.000043089166 -0.000017186918
  0.000530468657 -0.000171734181 -0.000067809011
 -0.000311934854  0.000104662405  0.000042496006
  0.001402142658 -0.000441493150 -0.000170399815
  0.003678574115 -0.001145097478 -0.000435877719
  0.013499432416 -0.004243452718 -0.001623703147
  0.040090962561 -0.012868221484 -0.004926812183
  0.106443001322 -0.035723440800 -0.013777692952
  0.232114730075 -0.086622598923 -0.033785898225
  0.364364990177 -0.169079137379 -0.068066681043
  0.307543599168 -0.210077681322 -0.089089509247
  0.080427548483  0.026387553334  0.011820997517
 -0.002090543722  0.532916211721  0.332373753706
  0.003316467740  0.503013649713  0.469594766673
 -0.001364263809  0.088610384154 -0.176478470452
  0.000407458941 -0.001433479223 -0.722585975846
 -0.000325910969  0.002441188231 -0.379746711006
  0.000089955123 -0.000403131859 -0.009082324086
  0.000008009284 -0.000077104762  0.007263594393
   15    2    6    6
  84.87788807      8.837908044
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436703 -0.000006206581
 -0.000246403845 -0.000093689472
 -0.001889028551 -0.000716256492
 -0.009965032152 -0.003823652339
 -0.039612570436 -0.015363778214
 -0.119509173909 -0.048153388894
 -0.263338650509 -0.110471170878
 -0.386823749833 -0.174969623056
 -0.293028115339 -0.095825251134
 -0.071894577737  0.248301656094
 -0.001973509558  0.516850106984
 -0.001441248311  0.353211491289
  0.000194605425  0.048726864800
 -0.000061574383 -0.008612669713
  0.000026275058  0.000748431188
    9    1   10
  2.262383878
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572560990
 -0.005772512592
 -0.029828672689
 -0.099709291351
 -0.223384509948
 -0.332862454679
 -0.345944900899
 -0.241181068217
 -0.055541081652
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Ho3Ga5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Ho3Ga5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2176212871E-01 -.3180611026E-01 -.6529150334E-01 -.1218657518
 -.2183453103     -.3840791025     -.5099038585     -.4594812723
 -.7574493745     -1.301590340     -1.059936761     -.6848848674E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.38353266      2.029831756
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202002776  0.001317346634
  0.045639011631  0.009588906376
  0.200054624241  0.046719247220
  0.473801156465  0.114451355464
  0.380740297537  0.097888543650
  0.028985182975  0.069643147109
  0.024655821623 -0.462091756920
 -0.005629093558 -0.642188481194
    6    1    6
 0.5703802165
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013145083028
 -0.085296713305
 -0.248782989847
 -0.436292809904
 -0.511352408164
  0.092906143620
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.13. Yb3Ga5O12 (YbGG)
********************************************************************************
*           E.8.13.a. Yb3Ga5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=12.204A, x=-0.0259, =0.0563, z=0.1519)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Yb.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-Yb.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Yb3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-O.
********************************************************************************
/Yb.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-Yb.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Yb(3+) in Yb3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  499890.0000      97959.00000      28077.00000      9139.200000
  3222.900000      1151.840000      464.5700000      213.4200000
  77.56500000      47.72800000      10.81590000      5.650200000
  2.113180000      1.031310000     0.5557800000
 0.2159370093     0.2109436317     0.3501863802     0.5382596270
 0.7088768189     0.9846914176      1.755014024      1.268244732
  2.544752547      2.842445213      4.524422868      2.894431941
  1.980502136      1.366895744     0.1477292514
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  4523.287455      776.6918566      179.4690821      37.56020271
  4.809580291
 0.7167191700E+11  6852841700.      1106179400.      229631520.0
  55103176.00      14844859.00      4330035.300      1362292.700
  455129.5400      160284.0500      59517.78700      23205.18500
  9486.296400      4034.797200      1776.829900      806.2923500
  375.3039600      170.0975800      80.21751000      33.23581400
  17.20624400      6.885913100      3.358038400     0.9118131500
 0.3990368400     0.6304972100E-01 0.2556606500E-01
  0.000000175275  0.000000056507  0.000000037781 -0.000000009627  0.000000007841
 -0.000000870625 -0.000000281104 -0.000000187318  0.000000048078 -0.000000038820
  0.000003259519  0.000001062262  0.000000693294 -0.000000185966  0.000000142704
 -0.000013318408 -0.000004517862 -0.000002688822  0.000000867475 -0.000000538328
  0.000563760984  0.000208699944  0.000099742762 -0.000047292090  0.000018582086
  0.000701864958  0.000264265354  0.000121030075 -0.000061465238  0.000022234118
  0.001866914276  0.000691009580  0.000333159300 -0.000155867735  0.000062002817
  0.003761623895  0.001420437643  0.000654359170 -0.000329738487  0.000121510153
  0.007760077364  0.002901285564  0.001395130700 -0.000656998814  0.000254570752
  0.015605426148  0.005951628979  0.002784651349 -0.001376045294  0.000544564790
  0.031000123425  0.011933554138  0.005677615186 -0.002744295490  0.001065378896
  0.060751604889  0.024090199991  0.011424743676 -0.005582504630  0.002187786423
  0.116368630696  0.048022379108  0.023068749956 -0.011230202700  0.004387782476
  0.208919077467  0.093795857758  0.045367433906 -0.022261462091  0.008720683982
  0.313153091877  0.160674710562  0.080433041010 -0.039469458255  0.015467503789
  0.307581607170  0.198136943947  0.101650375106 -0.050925842019  0.020027961887
  0.129135682673  0.005362699643 -0.002896011645  0.003350669901 -0.001417412638
  0.009588129797 -0.494640278060 -0.417730617394  0.230250611380 -0.092743312203
  0.000246464049 -0.548198124308 -0.597640472378  0.370605053562 -0.153068124681
 -0.000306715662 -0.100523842132  0.440464185702 -0.428093036704  0.194535396884
  0.000165012240  0.015231716753  0.835421564301 -1.008998413893  0.490683075388
 -0.000081441411 -0.005107497101  0.118981682954  0.598259566403 -0.428400777937
  0.000044629687  0.002305913242 -0.014020083892  0.873904750396 -0.781838562388
 -0.000013947898 -0.000677981552  0.003507857603  0.054196647192  0.794549299280
  0.000006004994  0.000315156081 -0.001626968873 -0.012675868400  0.568412202640
 -0.000001569583 -0.000080560841  0.000391987510  0.002422809527 -0.011262900952
  0.000000853934  0.000039174230 -0.000189427053 -0.001180041365  0.000306686259
   23    4    6    6    6    6
  686.5293913      151.5887498      28.16699639      2.346262123
  54522375.00      7756402.200      1591450.300      401990.8200
  118400.3300      39288.98900      14434.44400      5789.641700
  2497.817000      1143.668800      551.5359100      277.6847600
  144.9833300      77.52811200      41.79454800      23.21254600
  12.92239700      7.019198300      3.751671900      1.930185600
 0.9226218900     0.4216174200     0.1753719100
 -0.000001387188  0.000000753457 -0.000000263120 -0.000000153938
 -0.000027914841  0.000013752513 -0.000007019598 -0.000002029799
 -0.000072370395  0.000037191256 -0.000016402639 -0.000006456790
 -0.000205824703  0.000101687450 -0.000051899254 -0.000014534219
 -0.000555584843  0.000281717300 -0.000132720184 -0.000049928043
 -0.001520184050  0.000768624399 -0.000370678479 -0.000128888914
 -0.004201924280  0.002139147584 -0.001026493294 -0.000365001901
 -0.011677615429  0.005992727419 -0.002887464953 -0.001019423152
 -0.031964275246  0.016638326755 -0.008032446278 -0.002850542449
 -0.081634383818  0.043569175810 -0.021180419697 -0.007495096474
 -0.178289688287  0.098948516860 -0.048483450665 -0.017268251808
 -0.300724967094  0.175801451714 -0.087477234456 -0.031046501924
 -0.336123311595  0.194972500943 -0.096165761691 -0.034509666435
 -0.201436366000  0.003333509293  0.018514410172  0.008899051396
 -0.046963750463 -0.368078209099  0.273761550062  0.104048284763
 -0.002135954640 -0.488741428484  0.395030494169  0.158256191269
 -0.000316380176 -0.220339097141 -0.007856667707 -0.031947447721
  0.000226510544 -0.030843677958 -0.529510150481 -0.265868624754
 -0.000028609020 -0.001471927863 -0.500415318988 -0.319265375704
  0.000029728280 -0.000284544605 -0.134522171709  0.099421807607
 -0.000011116348  0.000042242814 -0.006306054246  0.524517156251
  0.000003697545 -0.000018917421 -0.001124577493  0.528996910142
 -0.000000862768  0.000008240723 -0.000379905964  0.032493055709
   15    2   10   10
  116.5224455      15.34454537
  18187.93200      4693.706000      1574.519500      630.4675200
  284.5339500      138.5752100      70.87766300      37.39173500
  20.23540500      10.97915700      5.849528600      3.056691800
  1.522995800     0.6515698300     0.8572807700E-01
 -0.000065296074 -0.000031678154
 -0.000496454557 -0.000241838383
 -0.003095697377 -0.001510510396
 -0.014784033844 -0.007278462308
 -0.053387082869 -0.026530891556
 -0.145644779973 -0.073921017618
 -0.283479487070 -0.143321838558
 -0.364310791476 -0.172199541632
 -0.259988156164 -0.029673571216
 -0.085896096567  0.267107190944
 -0.010103380284  0.441216167890
 -0.000802290874  0.326042934908
 -0.000146682272  0.104894571586
 -0.000039265346  0.009186605209
  0.000000643584  0.000185076580
   10    1   13
  1.038923414
  936.4792500      236.1678500      88.82383000      38.89926000
  18.23438400      8.741668500      4.099379700      1.835545100
 0.7588106600     0.2727080100
 -0.000193435296
 -0.003146176109
 -0.020637732311
 -0.076074870777
 -0.188462371086
 -0.306659007058
 -0.348520174410
 -0.285341321516
 -0.159647835440
 -0.038600745510
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gao(3+) in Yb3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  401210.0000      66712.00000      16612.00000      4849.800000
  1599.200000      574.5200000      202.5000000      77.12000000
  34.90400000      10.41120000      4.788800000      2.105600000
 0.8549900000
 0.7128999745E-01 0.8044923306E-01 0.1435075798     0.2470787077
 0.4006806498     0.5289464502     0.6381348638      1.246933832
  1.163427383      1.231097386      2.305473057      1.115875840
 0.1604383533
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.9264126      95.95137004      12.52152269
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491980 -0.000004279726 -0.000001668147
  0.000131163490 -0.000043089114 -0.000017178170
  0.000530468704 -0.000171733805 -0.000067780052
 -0.000311934842  0.000104662185  0.000042477806
  0.001402143099 -0.000441489607 -0.000170354037
  0.003678574804 -0.001145098829 -0.000435644075
  0.013499438570 -0.004243399057 -0.001623484225
  0.040090968416 -0.012868268983 -0.004923821453
  0.106443064711 -0.035722870834 -0.013777175737
  0.232114759515 -0.086623336699 -0.033760903940
  0.364365386249 -0.169075031857 -0.068080142819
  0.307543254414 -0.210084869931 -0.088961289395
  0.080427788889  0.026411031518  0.011560750731
 -0.002092023082  0.532861169854  0.332854377548
  0.003318713858  0.503088356766  0.468152646727
 -0.001367374146  0.088488749555 -0.173844977013
  0.000411302168 -0.001253015322 -0.726041418737
 -0.000328948945  0.002289109936 -0.375923064883
  0.000092050473 -0.000290121549 -0.012683397760
  0.000007724436 -0.000091456897  0.007594715532
   15    2    6    6
  84.77659748      8.741083770
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436690 -0.000006204776
 -0.000246402711 -0.000093674899
 -0.001889026299 -0.000716059019
 -0.009964990784 -0.003823026702
 -0.039612541348 -0.015359535173
 -0.119508741123 -0.048145804755
 -0.263338715110 -0.110437363655
 -0.386818030856 -0.174950120224
 -0.293029316850 -0.095755108540
 -0.071898511862  0.248086270470
 -0.001982029791  0.516864040343
 -0.001436224388  0.353189936680
  0.000193527435  0.048376406906
 -0.000073898383 -0.006750608631
  0.000031140499 -0.000116109712
    9    1   10
  2.163736566
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572966529
 -0.005772347813
 -0.029846846651
 -0.099704588349
 -0.223546116827
 -0.332716321138
 -0.346704218687
 -0.240439555873
 -0.055084566932
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Yb3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400950.0000      66625.00000      16567.00000      4833.600000
  1594.500000      572.9900000      201.8700000      76.89900000
  34.79500000      10.34970000      4.758700000      2.085100000
 0.8362200000
 0.7131377484E-01 0.8056055658E-01 0.1438443717     0.2475002864
 0.4010219593     0.5291082814     0.6392462573      1.249801822
  1.160235174      1.244382615      2.306134990      1.103640798
 0.1565424486
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.9505440      95.97595630      12.53890871
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279743 -0.000001668443
  0.000131163477 -0.000043089246 -0.000017182635
  0.000530468656 -0.000171734398 -0.000067794415
 -0.000311934862  0.000104662360  0.000042484335
  0.001402142688 -0.000441493339 -0.000170384125
  0.003678573911 -0.001145103167 -0.000435799877
  0.013499433034 -0.004243449309 -0.001623686849
  0.040090959732 -0.012868296317 -0.004925750045
  0.106443009569 -0.035723365278 -0.013778165684
  0.232114703097 -0.086623268244 -0.033776665369
  0.364365038726 -0.169078198556 -0.068076179795
  0.307543462799 -0.210081523223 -0.089038184190
  0.080427898881  0.026395820450  0.011706581483
 -0.002091178368  0.532900665336  0.332611905854
  0.003317387420  0.503049693043  0.469019920955
 -0.001365599061  0.088547839963 -0.175462242001
  0.000409057060 -0.001360684836 -0.724233401090
 -0.000327162171  0.002377421401 -0.377616664090
  0.000091096195 -0.000340126289 -0.011336170604
  0.000007661594 -0.000095964264  0.007839470520
   15    2    6    6
  84.80110693      8.758058690
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436779 -0.000006206287
 -0.000246404751 -0.000093692632
 -0.001889037110 -0.000716229269
 -0.009965070177 -0.003823765445
 -0.039612756329 -0.015363215755
 -0.119509643955 -0.048155158164
 -0.263340008926 -0.110465858962
 -0.386825495596 -0.174984245253
 -0.293029213638 -0.095793247406
 -0.071888509159  0.248275070471
 -0.001972508714  0.516984926573
 -0.001439486494  0.352873270316
  0.000194845962  0.048665867294
 -0.000069369489 -0.007426031029
  0.000029686852  0.000273009891
    9    1   10
  2.182054506
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572667757
  0.005769950163
  0.029831719548
  0.099664699248
  0.223437495137
  0.332581244785
  0.346294214698
  0.239689774111
  0.058163606683
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Yb3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Yb3Ga5O12 with orthogonality orbitals
   3.000    2
   20    1
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  -0.000001668443
  -0.000017182635
  -0.000067794415
   0.000042484335
  -0.000170384125
  -0.000435799877
  -0.001623686849
  -0.004925750045
  -0.013778165684
  -0.033776665369
  -0.068076179795
  -0.089038184190
   0.011706581483
   0.332611905854
   0.469019920955
  -0.175462242001
  -0.724233401090
  -0.377616664090
  -0.011336170604
   0.007839470520
   15    1
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  -0.000006206287
  -0.000093692632
  -0.000716229269
  -0.003823765445
  -0.015363215755
  -0.048155158164
  -0.110465858962
  -0.174984245253
  -0.095793247406
   0.248275070471
   0.516984926573
   0.352873270316
   0.048665867294
  -0.007426031029
   0.000273009891
    9    1
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572667757
  0.005769950163
  0.029831719548
  0.099664699248
  0.223437495137
  0.332581244785
  0.346294214698
  0.239689774111
  0.058163606683
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400950.0000      66625.00000      16567.00000      4833.600000
  1594.500000      572.9900000      201.8700000      76.89900000
  34.79500000      10.34970000      4.758700000      2.085100000
 0.8362200000
 0.7131377484E-01 0.8056055658E-01 0.1438443717     0.2475002864
 0.4010219593     0.5291082814     0.6392462573      1.249801822
  1.160235174      1.244382615      2.306134990      1.103640798
 0.1565424486
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.9505440      95.97595630      12.53890871
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279743 -0.000001668443
  0.000131163477 -0.000043089246 -0.000017182635
  0.000530468656 -0.000171734398 -0.000067794415
 -0.000311934862  0.000104662360  0.000042484335
  0.001402142688 -0.000441493339 -0.000170384125
  0.003678573911 -0.001145103167 -0.000435799877
  0.013499433034 -0.004243449309 -0.001623686849
  0.040090959732 -0.012868296317 -0.004925750045
  0.106443009569 -0.035723365278 -0.013778165684
  0.232114703097 -0.086623268244 -0.033776665369
  0.364365038726 -0.169078198556 -0.068076179795
  0.307543462799 -0.210081523223 -0.089038184190
  0.080427898881  0.026395820450  0.011706581483
 -0.002091178368  0.532900665336  0.332611905854
  0.003317387420  0.503049693043  0.469019920955
 -0.001365599061  0.088547839963 -0.175462242001
  0.000409057060 -0.001360684836 -0.724233401090
 -0.000327162171  0.002377421401 -0.377616664090
  0.000091096195 -0.000340126289 -0.011336170604
  0.000007661594 -0.000095964264  0.007839470520
   15    2    6    6
  84.80110693      8.758058690
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
 -0.000016436779 -0.000006206287
 -0.000246404751 -0.000093692632
 -0.001889037110 -0.000716229269
 -0.009965070177 -0.003823765445
 -0.039612756329 -0.015363215755
 -0.119509643955 -0.048155158164
 -0.263340008926 -0.110465858962
 -0.386825495596 -0.174984245253
 -0.293029213638 -0.095793247406
 -0.071888509159  0.248275070471
 -0.001972508714  0.516984926573
 -0.001439486494  0.352873270316
  0.000194845962  0.048665867294
 -0.000069369489 -0.007426031029
  0.000029686852  0.000273009891
    9    1   10
  2.182054506
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
  0.000572667757
  0.005769950163
  0.029831719548
  0.099664699248
  0.223437495137
  0.332581244785
  0.346294214698
  0.239689774111
  0.058163606683
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Yb3Ga5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Yb3Ga5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2176475092E-01 -.3181300651E-01 -.6529488239E-01 -.1218971167
 -.2183492907     -.3841768733     -.5099003344     -.4597465295
 -.7573334439     -1.303726904     -1.058092691     -.6790417698E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.29240648      1.941030984
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201979423  0.001317869602
  0.045638750022  0.009595836109
  0.200053942712  0.046726859396
  0.473794731563  0.114671890187
  0.380731784350  0.098511830105
  0.028993808124  0.069150758325
  0.024679186194 -0.463299415188
 -0.005646353921 -0.641187598838
    6    1    6
 0.4814366592
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013144055270
 -0.085341350553
 -0.248652121295
 -0.437084106428
 -0.510679805269
  0.093296582489
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.14. Lu3Ga5O12 (LuGG)
********************************************************************************
*           E.8.14.a. Lu3Ga5O12
*             Structure:
*                    F.Euler, J.A.Bruce, Acta Cryst. (1965) 19, 971
*                    (Ia-3d; a=12.188A, x=-0.0252, =0.0570, z=0.1506)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Lu.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-Lu.
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-Ga(oct).
*             /Ga.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-Ga(tet).
*             /Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Lu3Ga5O12-Ga(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-O.
********************************************************************************
/Lu.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-Lu.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Lu(3+) in Lu3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  528360.0000      107874.0000      31866.00000      10573.00000
  3792.900000      1381.990000      548.4200000      254.7000000
  87.83400000      51.25400000      11.44080000      6.053100000
  2.304380000      1.128680000     0.6297600000
 0.2129802074     0.2001223527     0.3296448130     0.5080033450
 0.6790219028     0.9026772372      1.630065931      1.465685184
  2.232682332      3.316473190      4.445172093      3.116346022
  1.949315243      1.445576457     0.2329003552
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  4669.194805      804.8103557      186.3370804      38.90491361
  4.958311241
 0.6701311900E+11  7216717800.      1171529200.      235233120.0
  55877724.00      14949778.00      4363017.000      1375340.500
  456540.5200      160435.3700      59637.10400      23233.14400
  9474.040900      4032.731300      1779.753900      807.8776800
  374.9260700      172.1622700      81.75905400      34.04620200
  17.67359800      7.084092600      3.479507300     0.9931652500
 0.4458321400     0.7721303500E-01 0.3053352200E-01
 -0.000000244159 -0.000000081509 -0.000000051623  0.000000015327 -0.000000006644
  0.000001120858  0.000000374559  0.000000236647 -0.000000070584  0.000000030564
 -0.000004011432 -0.000001348944 -0.000000839505  0.000000257493 -0.000000110740
  0.000016057859  0.000005559798  0.000003220044 -0.000001123080  0.000000468623
 -0.000595541280 -0.000221485213 -0.000106087671  0.000050449977 -0.000019778323
 -0.000742824110 -0.000280859360 -0.000128808249  0.000065474550 -0.000025369836
 -0.001956849061 -0.000727632357 -0.000351835819  0.000165073771 -0.000064910421
 -0.003949491923 -0.001497905709 -0.000690998523  0.000348563081 -0.000135130134
 -0.008181500880 -0.003073807892 -0.001481830266  0.000700437693 -0.000275568124
 -0.016327091788 -0.006257096701 -0.002933279448  0.001449218321 -0.000561439989
 -0.032284660274 -0.012495627948 -0.005959476526  0.002885518939 -0.001126643334
 -0.063239750938 -0.025221362877 -0.011988780161  0.005864798893 -0.002284568812
 -0.120490529949 -0.050090619882 -0.024128862409  0.011760085921 -0.004583371928
 -0.213403003773 -0.096618156766 -0.046861707095  0.023033801827 -0.008992180504
 -0.315171280207 -0.163496003867 -0.082167499715  0.040358978803 -0.015749051846
 -0.302931793806 -0.195815525624 -0.100636935040  0.050566245214 -0.019841000759
 -0.121186108129  0.010629782216  0.012944291414 -0.008839935049  0.003687585852
 -0.007602093740  0.503632303338  0.431203211157 -0.238273180062  0.095471002867
 -0.000655845650  0.534061703602  0.582641871811 -0.363867201438  0.150227195985
  0.000523977790  0.095857190467 -0.464940275277  0.457441888212 -0.208738150416
 -0.000298543854 -0.014771637422 -0.818861009060  0.986636074654 -0.475253210213
  0.000144190955  0.005047904707 -0.115530382964 -0.614306667079  0.432145870484
 -0.000076426293 -0.002356338000  0.014455219460 -0.857247909552  0.774502001800
  0.000025280687  0.000735567253 -0.003857040287 -0.057477264834 -0.701463237811
 -0.000011435666 -0.000345094410  0.001797958323  0.013021596036 -0.655239818249
  0.000002915318  0.000087034002 -0.000427016653 -0.002461482107 -0.001480390438
 -0.000001435856 -0.000040213128  0.000196253939  0.001145039852  0.005932818680
   23    4    6    6    6    6
  710.2065851      157.2221653      29.12160898      2.417973454
  55602773.00      7765745.900      1589584.300      401810.9500
  118603.3400      39300.00000      14430.35400      5793.124600
  2497.821500      1143.717300      551.3977100      277.7501400
  145.0303300      77.44745600      41.75015500      23.22694800
  12.93638700      7.026064900      3.744504700      1.899190800
 0.9146347400     0.4226736900     0.1733363600
 -0.000001787486  0.000000941646  0.000000369673  0.000000210146
 -0.000029778280  0.000014803242  0.000007475628  0.000002208136
 -0.000077473699  0.000039657016  0.000017830862  0.000007396248
 -0.000219006617  0.000109128664  0.000055186503  0.000016206753
 -0.000590314257  0.000299796594  0.000141846954  0.000052243883
 -0.001617918203  0.000820946407  0.000396169037  0.000137351936
 -0.004448877099  0.002272303445  0.001092134107  0.000385287076
 -0.012330231588  0.006350260291  0.003064257800  0.001074527370
 -0.033632795128  0.017577827270  0.008499406206  0.002995201182
 -0.085361656537  0.045767186164  0.022289998836  0.007832451058
 -0.184634873240  0.103020055956  0.050574538075  0.017890890378
 -0.306178384669  0.179922237713  0.089737180998  0.031620850035
 -0.333940583348  0.192210067712  0.094507604019  0.033678906918
 -0.191850085508 -0.015580183711 -0.030487478891 -0.013344200442
 -0.041369778383 -0.389529362353 -0.292137792060 -0.110384496569
 -0.001846250416 -0.478691757667 -0.385622347769 -0.153326694704
 -0.000145652622 -0.202678556089  0.045195557534  0.049017081774
  0.000133664297 -0.026107523059  0.546137132901  0.272812405009
  0.000015746058 -0.001459505517  0.482008814819  0.306313924121
  0.000006040285 -0.000165612849  0.118275937474 -0.132904061327
 -0.000001375685 -0.000003966157  0.003793282647 -0.520103926355
  0.000000039447  0.000004772445  0.001401357095 -0.515855817200
  0.000000072413 -0.000004889826 -0.000457545047 -0.024369498146
   15    2   10   10
  121.0434883      15.88510197
  16241.49300      4278.988200      1524.597100      640.8577100
  295.5655200      143.5265800      71.89617500      36.65707500
  18.88423700      9.510456800      4.620822600      2.112008600
 0.7516843600     0.2514027000     0.7547191500E-01
  0.000085227910  0.000041409945
  0.000604051311  0.000295458388
  0.003323691303  0.001623954489
  0.014681189609  0.007257067743
  0.052573806266  0.026160282596
  0.148496089137  0.075638355900
  0.301129890468  0.152371237446
  0.388472857018  0.180768247644
  0.249911873181 -0.020931729076
  0.059008037994 -0.385959687145
  0.003152881546 -0.487175223342
  0.000572924915 -0.223591953497
 -0.000003387534 -0.021293172058
  0.000021559942  0.001560508109
 -0.000006327039 -0.000322913381
   10    1   14
  1.227374644
  1573.111300      295.9291500      108.3458800      47.08844000
  21.82595400      10.48002400      4.988653200      2.304761500
 0.9995225700     0.3810215700
 -0.000091146849
 -0.002175035704
 -0.015333652529
 -0.061822105180
 -0.166134043965
 -0.288170048049
 -0.342964997608
 -0.296639091789
 -0.187447186523
 -0.063278531119
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-Ga(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gao(3+) in Lu3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400690.0000      66638.00000      16582.00000      4839.300000
  1596.100000      573.6100000      202.2700000      77.08400000
  34.89600000      10.40990000      4.788900000      2.105800000
 0.8569800000
 0.7133058024E-01 0.8050844311E-01 0.1437258542     0.2473593716
 0.4009211188     0.5288462078     0.6380648399      1.246838178
  1.162926591      1.231012030      2.305210024      1.115598072
 0.1609920228
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  755.8938585      95.91891266      12.48871917
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491980 -0.000004279725 -0.000001668288
  0.000131163489 -0.000043089087 -0.000017180220
  0.000530468701 -0.000171733736 -0.000067787040
 -0.000311934842  0.000104662139  0.000042483830
  0.001402143046 -0.000441490016 -0.000170359527
  0.003678574789 -0.001145097533 -0.000435675573
  0.013499437762 -0.004243407440 -0.001623462892
  0.040090968620 -0.012868247172 -0.004924275301
  0.106443056011 -0.035722968411 -0.013776679684
  0.232114764194 -0.086623097590 -0.033765022541
  0.364365328611 -0.169075816425 -0.068074039479
  0.307543332250 -0.210083073181 -0.088986056084
  0.080427666733  0.026406087382  0.011618951776
 -0.002091695793  0.532872149159  0.332728732165
  0.003318222824  0.503070708020  0.468445159393
 -0.001366689581  0.088517253379 -0.174396850457
  0.000410491850 -0.001291224784 -0.725225276724
 -0.000328348076  0.002319815976 -0.376745324687
  0.000091743700 -0.000306706225 -0.012210756065
  0.000007674973 -0.000094730116  0.007848889440
   15    2    6    6
  84.74412748      8.708442063
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  0.000016436688 -0.000006204842
  0.000246402765 -0.000093679934
  0.001889026220 -0.000716070139
  0.009964992531 -0.003823222817
  0.039612537551 -0.015359776786
  0.119508754486 -0.048148407219
  0.263338666904 -0.110438225364
  0.386818444704 -0.174963780891
  0.293029304347 -0.095741937022
  0.071897989229  0.248063945549
  0.001982050999  0.516949979086
  0.001435616442  0.353052068792
 -0.000191352057  0.048764660997
  0.000068791243 -0.007529225751
 -0.000029802515 -0.000153135487
    9    1   10
  2.131462092
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572787223
 -0.005772656669
 -0.029838995975
 -0.099710524226
 -0.223471838796
 -0.332804941820
 -0.346386902915
 -0.240997625789
 -0.054740722995
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Lu3Ga5O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400730.0000      66675.00000      16583.00000      4837.000000
  1595.900000      573.6400000      202.2000000      77.03100000
  34.86400000      10.38490000      4.774900000      2.094900000
 0.8445800000
 0.7131611149E-01 0.8047925358E-01 0.1438136082     0.2474162358
 0.4007719846     0.5288901701     0.6384899464      1.247875145
  1.162145165      1.237102610      2.306654611      1.109953134
 0.1584253585
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0306840      96.05617732      12.62071667
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279738 -0.000001668483
  0.000131163478 -0.000043089192 -0.000017183156
  0.000530468662 -0.000171734207 -0.000067796317
 -0.000311934856  0.000104662349  0.000042486433
  0.001402142729 -0.000441492644 -0.000170382983
  0.003678574105 -0.001145100039 -0.000435802918
  0.013499433513 -0.004243442502 -0.001623641853
  0.040090961962 -0.012868260018 -0.004925827394
  0.106443013690 -0.035723316006 -0.013777649248
  0.232114720911 -0.086622994158 -0.033777600097
  0.364365063383 -0.169078069822 -0.068072051365
  0.307543488849 -0.210080431761 -0.089046237711
  0.080427749256  0.026394700250  0.011730794931
 -0.002091042169  0.532900916844  0.332547164039
  0.003317205649  0.503040845653  0.469115547073
 -0.001365316361  0.088564262111 -0.175629046206
  0.000408736376 -0.001374120521 -0.723825879407
 -0.000326919143  0.002389945847 -0.378196302925
  0.000090790509 -0.000357364038 -0.010607035070
  0.000007868709 -0.000084409094  0.007397200537
   15    2    6    6
  84.88133377      8.840454544
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  0.000016436737 -0.000006206304
  0.000246404118 -0.000093688295
  0.001889032254 -0.000716227159
  0.009965044502 -0.003823598031
  0.039612654106 -0.015363157151
  0.119509336421 -0.048152835397
  0.263339292486 -0.110466175609
  0.386823778437 -0.174970357065
  0.293028755509 -0.095810235979
  0.071892440391  0.248280189456
  0.001973924750  0.516883054876
  0.001440114478  0.353114028831
 -0.000195243174  0.048518387354
  0.000067935846 -0.007635734441
 -0.000028725602  0.000421758023
    9    1   10
  2.264373222
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572730827
 -0.005771221084
 -0.029835429752
 -0.099686399110
 -0.223458168905
 -0.332682813623
 -0.346319356255
 -0.240183907131
 -0.056832415269
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ga.ECP.Seijo.20s15p9d.1s1p1d.0e-AIMP-Lu3Ga5O12-Ga(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Gat(3+) in Lu3Ga5O12 with orthogonality orbitals
   3.000    2
   20    1
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  -0.000001668483
  -0.000017183156
  -0.000067796317
   0.000042486433
  -0.000170382983
  -0.000435802918
  -0.001623641853
  -0.004925827394
  -0.013777649248
  -0.033777600097
  -0.068072051365
  -0.089046237711
   0.011730794931
   0.332547164039
   0.469115547073
  -0.175629046206
  -0.723825879407
  -0.378196302925
  -0.010607035070
   0.007397200537
   15    1
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  -0.000006206304
  -0.000093688295
  -0.000716227159
  -0.003823598031
  -0.015363157151
  -0.048152835397
  -0.110466175609
  -0.174970357065
  -0.095810235979
   0.248280189456
   0.516883054876
   0.353114028831
   0.048518387354
  -0.007635734441
   0.000421758023
    9    1
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572730827
 -0.005771221084
 -0.029835429752
 -0.099686399110
 -0.223458168905
 -0.332682813623
 -0.346319356255
 -0.240183907131
 -0.056832415269
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  400730.0000      66675.00000      16583.00000      4837.000000
  1595.900000      573.6400000      202.2000000      77.03100000
  34.86400000      10.38490000      4.774900000      2.094900000
 0.8445800000
 0.7131611149E-01 0.8047925358E-01 0.1438136082     0.2474162358
 0.4007719846     0.5288901701     0.6384899464      1.247875145
  1.162145165      1.237102610      2.306654611      1.109953134
 0.1584253585
M2
    0
COREREP
   1.000
PROJOP
    2
   20    3    2    2    2
  756.0306840      96.05617732      12.62071667
  70959040.00      7603324.000      1319240.000      302670.5000
  83251.81000      25933.12000      8976.547000      3372.096000
  1348.620000      567.5549000      248.1887000      111.6749000
  49.24165000      23.27517000      11.08148000      4.899352000
  2.300821000      1.026582000     0.2092229000     0.7348584000E-01
  0.000013491979 -0.000004279738 -0.000001668483
  0.000131163478 -0.000043089192 -0.000017183156
  0.000530468662 -0.000171734207 -0.000067796317
 -0.000311934856  0.000104662349  0.000042486433
  0.001402142729 -0.000441492644 -0.000170382983
  0.003678574105 -0.001145100039 -0.000435802918
  0.013499433513 -0.004243442502 -0.001623641853
  0.040090961962 -0.012868260018 -0.004925827394
  0.106443013690 -0.035723316006 -0.013777649248
  0.232114720911 -0.086622994158 -0.033777600097
  0.364365063383 -0.169078069822 -0.068072051365
  0.307543488849 -0.210080431761 -0.089046237711
  0.080427749256  0.026394700250  0.011730794931
 -0.002091042169  0.532900916844  0.332547164039
  0.003317205649  0.503040845653  0.469115547073
 -0.001365316361  0.088564262111 -0.175629046206
  0.000408736376 -0.001374120521 -0.723825879407
 -0.000326919143  0.002389945847 -0.378196302925
  0.000090790509 -0.000357364038 -0.010607035070
  0.000007868709 -0.000084409094  0.007397200537
   15    2    6    6
  84.88133377      8.840454544
  49597.56000      8521.695000      2303.899000      783.0395000
  305.5494000      131.1653000      60.06042000      28.47848000
  13.71275000      6.359916000      2.903849000      1.270245000
 0.4810799000     0.1528591000     0.4856343000E-01
  0.000016436737 -0.000006206304
  0.000246404118 -0.000093688295
  0.001889032254 -0.000716227159
  0.009965044502 -0.003823598031
  0.039612654106 -0.015363157151
  0.119509336421 -0.048152835397
  0.263339292486 -0.110466175609
  0.386823778437 -0.174970357065
  0.293028755509 -0.095810235979
  0.071892440391  0.248280189456
  0.001973924750  0.516883054876
  0.001440114478  0.353114028831
 -0.000195243174  0.048518387354
  0.000067935846 -0.007635734441
 -0.000028725602  0.000421758023
    9    1   10
  2.264373222
  457.9123000      128.5433000      48.13583000      20.16190000
  9.037338000      4.122069000      1.835645000     0.7793226000
 0.2999676000
 -0.000572730827
 -0.005771221084
 -0.029835429752
 -0.099686399110
 -0.223458168905
 -0.332682813623
 -0.346319356255
 -0.240183907131
 -0.056832415269
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Lu3Ga5O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Lu3Ga5O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2176236329E-01 -.3181279124E-01 -.6528299593E-01 -.1219019565
 -.2183040340     -.3841958653     -.5097777422     -.4598589082
 -.7569349019     -1.303128409     -1.059077120     -.6796291221E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.32279200      1.970580503
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006202003391  0.001317047811
  0.045638971412  0.009587059270
  0.200054782537  0.046707348476
  0.473798951933  0.114442480875
  0.380735339336  0.097920434372
  0.028990657889  0.069573318491
  0.024663311154 -0.461841746546
 -0.005638938379 -0.642417956738
    6    1    6
 0.5111446635
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013146643260
 -0.085350458599
 -0.248718247645
 -0.436635713902
 -0.511767642321
  0.094855873923
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.15. Mg3Al2Si3O12 (Pyrope)
********************************************************************************
*           E.8.15.a. Mg3Al2Si3O12
*             Structure:
*                    J.Ganguly et al., American Mineralogist 78 (1993) 583-593
*                    (Ia-3d; a=11.4566A, x=-0.0329, =0.0501, z=0.1528)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Mg.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-Mg.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-Al(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Mg3Al2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-O.
********************************************************************************
/Mg.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-Mg.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Mg(2+) in Pyrope
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  412320.0000      68483.00000      16627.00000      4682.600000
  1498.300000      527.4700000      201.4600000      81.74000000
  32.27600000      12.38320000      5.592200000      2.678500000
  1.292640000
 0.2812707867E-01 0.3191433903E-01 0.5797739444E-01 0.9893253596E-01
 0.1639041124     0.2676865450     0.4023131739     0.4738078803
 0.4426736902     0.7594791484      1.189740136     0.8841038874
 0.1993400788
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  97.98588909      7.273535108
  1694068.000      192336.9000      39966.58000      10658.15000
  3203.178000      1064.467000      385.2409000      149.6694000
  61.39625000      26.30771000      11.48114000      4.164014000
  1.753899000     0.7137424000     0.1131305000     0.4072101000E-01
 -0.000001411768 -0.000000606195
 -0.000186592765 -0.000047163906
 -0.000489946505 -0.000124309235
 -0.001669892010 -0.000424771293
 -0.005687148327 -0.001447727198
 -0.018912858843 -0.004876658649
 -0.056922082493 -0.014945232594
 -0.146417696366 -0.040842537704
 -0.294806938184 -0.092161640413
 -0.383378551759 -0.160947533125
 -0.223252043387 -0.132334582343
 -0.025285323306  0.220683379581
  0.002153181169  0.577103097573
 -0.001170813540  0.358194895651
  0.000228488274  0.001315738755
 -0.000088911526 -0.003420000738
   11    1    6
  4.293130115
  1213.444000      274.6633000      87.11188000      32.75345000
  13.63020000      6.039718000      2.745523000      1.238350000
 0.9013199000     0.5851599000     0.2300177000
 -0.000248215232
 -0.002072510560
 -0.010895371946
 -0.041616847369
 -0.116805727042
 -0.240995252991
 -0.331835127759
 -0.399857462594
  0.129215145855
 -0.225500825567
  0.009313845506
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-Al(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alo(3+) in Pyrope
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  372971.1700      57385.37550      13169.30800      3619.437590
  1148.006930      394.6778150      149.5069970      60.26483830
  23.41066380      9.773332000      4.340800000      1.918320000
 0.2196358845E-01 0.2668647377E-01 0.4921206291E-01 0.8344924586E-01
 0.1417013962     0.2354433806     0.3173050955     0.3073169964
 0.3534101956     0.7542523661     0.8272793926     0.2153131393
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.7084642      9.459996266
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666351119  0.001487840622
  0.042199093179  0.011045751545
  0.190347944822  0.054825372879
  0.462101675941  0.145002592899
  0.382410062902  0.139959156514
  0.043232232444  0.072618630352
  0.051316847595 -0.609577397595
  0.066822230707 -0.574388995916
 -0.089537859331  0.062050368263
 -0.002730230891  0.001008559002
  0.001037001394  0.007581280990
    8    1    6
  6.111719382
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
  0.013946350431
  0.091702909795
  0.297644301119
  0.499781491632
  0.313437867231
  0.010447282420
 -0.011322498502
  0.002042158558
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Sit(4+) in Pyrope
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  387934.1700      61523.17550      14482.20800      4037.907590
  1287.286930      452.2388150      172.1239970      67.24303830
  23.86456380      9.879262000      4.576520000      2.232440000
 0.1756560362E-01 0.2072940550E-01 0.3788208447E-01 0.6459489312E-01
 0.1085087904     0.1765277098     0.2451967134     0.2467722057
 0.3349634114     0.6352117683     0.5117046920     0.1003427222
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.0528618      12.55120237
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098668  0.000010897253
 -0.000053217888  0.000013908415
 -0.000449388973  0.000120139996
 -0.001979101361  0.000529573156
 -0.007581483142  0.002034988275
 -0.024909348996  0.006780174319
 -0.071381827131  0.019959237010
 -0.171135183129  0.051352385211
 -0.314706788747  0.108751109169
 -0.361814657915  0.172695855609
 -0.180652875285  0.112189096789
 -0.018742868955 -0.270841986679
  0.001462345620 -0.567467942001
 -0.001062727759 -0.325674796637
  0.000310288704  0.002244934787
  0.000006593829  0.010127278571
   11    1    6
  8.806286353
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231178526
 -0.002626187522
 -0.015854400689
 -0.064188654571
 -0.180393421414
 -0.333194200630
 -0.391466456353
 -0.214646028731
 -0.021773984267
  0.013763194864
 -0.001925670327
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Mg3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Sit(4+) in Pyrope with orthogonality orbitals
   4.000    1
   16    1
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
   0.000010897253
   0.000013908415
   0.000120139996
   0.000529573156
   0.002034988275
   0.006780174319
   0.019959237010
   0.051352385211
   0.108751109169
   0.172695855609
   0.112189096789
  -0.270841986679
  -0.567467942001
  -0.325674796637
   0.002244934787
   0.010127278571
   11    1
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231178526
 -0.002626187522
 -0.015854400689
 -0.064188654571
 -0.180393421414
 -0.333194200630
 -0.391466456353
 -0.214646028731
 -0.021773984267
  0.013763194864
 -0.001925670327
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  387934.1700      61523.17550      14482.20800      4037.907590
  1287.286930      452.2388150      172.1239970      67.24303830
  23.86456380      9.879262000      4.576520000      2.232440000
 0.1756560362E-01 0.2072940550E-01 0.3788208447E-01 0.6459489312E-01
 0.1085087904     0.1765277098     0.2451967134     0.2467722057
 0.3349634114     0.6352117683     0.5117046920     0.1003427222
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.0528618      12.55120237
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098668  0.000010897253
 -0.000053217888  0.000013908415
 -0.000449388973  0.000120139996
 -0.001979101361  0.000529573156
 -0.007581483142  0.002034988275
 -0.024909348996  0.006780174319
 -0.071381827131  0.019959237010
 -0.171135183129  0.051352385211
 -0.314706788747  0.108751109169
 -0.361814657915  0.172695855609
 -0.180652875285  0.112189096789
 -0.018742868955 -0.270841986679
  0.001462345620 -0.567467942001
 -0.001062727759 -0.325674796637
  0.000310288704  0.002244934787
  0.000006593829  0.010127278571
   11    1    6
  8.806286353
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231178526
 -0.002626187522
 -0.015854400689
 -0.064188654571
 -0.180393421414
 -0.333194200630
 -0.391466456353
 -0.214646028731
 -0.021773984267
  0.013763194864
 -0.001925670327
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Mg3Al2Si3O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Pyrope
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2175675953E-01 -.3195264404E-01 -.6527950203E-01 -.1222926599
 -.2183220359     -.3853151655     -.5097399778     -.4637102205
 -.7539627220     -1.332107201     -1.036832089     -.5872902303E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.59667984      2.314636588
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201587984  0.001316099586
  0.045637093574  0.009611705763
  0.200035819389  0.046557685446
  0.473816287449  0.116095007871
  0.380938041203  0.103669196940
  0.028784661478  0.064178114085
  0.024669901545 -0.466388849840
 -0.005557759910 -0.639110736455
    6    1    6
 0.8075206287
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013122476452
 -0.086143017113
 -0.246341611215
 -0.452626749259
 -0.489399368815
  0.081662319567
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.16. Ca3Al2Si3O12 (Grossular)
********************************************************************************
*           E.8.16.a. Ca3Al2Si3O12
*             Structure:
*                    J.Ganguly et al., American Mineralogist 78 (1993) 583-593
*                    (Ia-3d; a=11.8515A, x=-0.0376, =0.0454, z=0.1513)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Ca.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-Ca.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-Al(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Ca3Al2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-O.
********************************************************************************
/Ca.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-Ca.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Ca(2+) in Grossular
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   14
  386350.0000      61202.00000      14665.00000      4156.700000
  1335.400000      474.4300000      178.8000000      63.68600000
  25.98500000      12.28430000      3.308300000      1.667500000
 0.8513800000     0.4439000000
 0.6024166698E-01 0.7085825078E-01 0.1271338019     0.2196900779
 0.3675181050     0.5540687981     0.6354429828     0.7967195668
  1.546930236      1.311199086     0.6788547270      1.696990876
 0.8978432048     0.3650862062E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   20    3    2    2    2
  299.4827233      33.18213847      3.758210241
  15429060.00      1717766.000      325290.8000      83104.29000
  25219.11000      8662.800000      3220.967000      1283.738000
  543.4592000      240.8390000      109.9677000      51.34453000
  24.28419000      10.50093000      4.922923000      2.340607000
 0.9214525000     0.3826710000     0.6533290000E-01 0.2618455000E-01
 -0.000027810227 -0.000008190329 -0.000002790034
 -0.000115765886 -0.000033740843 -0.000011831932
 -0.000336266174 -0.000098686855 -0.000033823427
 -0.000900926606 -0.000264431137 -0.000091367894
 -0.002361578501 -0.000694273036 -0.000238810215
 -0.006274386683 -0.001856490870 -0.000642443621
 -0.017042366381 -0.005074910926 -0.001744749802
 -0.044365303899 -0.013531689549 -0.004708046190
 -0.105346251863 -0.033385852591 -0.011523904317
 -0.214806007949 -0.075063470827 -0.026584548823
 -0.335646271753 -0.140368055483 -0.049717807796
 -0.309851826257 -0.186539130949 -0.071181823688
 -0.112211350477 -0.043744452863 -0.014051993921
 -0.007663371968  0.400520974754  0.181639565196
 -0.000347887872  0.569368094600  0.442602395661
  0.000033763313  0.176334509111  0.097726586615
  0.000044459414  0.007776041520 -0.689503578638
  0.000013227902  0.000688272206 -0.547563692115
  0.000001063461 -0.000160980616  0.004415603180
 -0.000000680645  0.000070505702  0.002974576322
   15    2    6    6
  26.53562718      1.920145691
  51912.48000      8887.833000      2423.370000      833.8344000
  329.6573000      142.4756000      65.46554000      31.43317000
  15.49410000      7.765115000      3.924985000      1.924370000
 0.9138395000     0.4202105000     0.1757597000
 -0.000014571396 -0.000004788871
 -0.000084901330 -0.000027631885
 -0.000435547247 -0.000144245552
 -0.001990461751 -0.000647598834
 -0.007867999457 -0.002626118692
 -0.026522272807 -0.008747840243
 -0.075265906065 -0.025894159515
 -0.171403215278 -0.059279267118
 -0.294463964204 -0.108860076708
 -0.349416179814 -0.131186208406
 -0.222266113329 -0.065017761423
 -0.049849789350  0.232970179611
 -0.001396364049  0.438505826524
 -0.000685292889  0.436522407537
 -0.000227932017  0.041386188361
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-Al(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alo(3+) in Grossular
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  372971.1700      57385.37550      13169.30800      3619.437590
  1148.006930      394.6778150      149.5069970      60.26483830
  23.41066380      9.773332000      4.340800000      1.918320000
 0.2198440796E-01 0.2664601578E-01 0.4917935249E-01 0.8352642907E-01
 0.1414241923     0.2358639232     0.3163076312     0.3087672933
 0.3505000841     0.7584171877     0.8200414462     0.2206753699
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.9554580      9.706448037
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666372084  0.001486569470
  0.042199411132  0.011031005118
  0.190348441753  0.054796891503
  0.462111997565  0.144557080289
  0.382431590272  0.138688964462
  0.043212491459  0.073499678236
  0.051215513934 -0.603932017424
  0.066211333855 -0.529446132774
 -0.088906038732  0.019308297155
 -0.002572160460 -0.014638871064
  0.000988025335  0.011745282150
    8    1    6
  6.350654149
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013940003069
 -0.091714799472
 -0.297453278953
 -0.500130017892
 -0.311247955739
 -0.012512339493
  0.005356023242
  0.000558801163
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Grossular
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386814.1700      61239.17550      14384.20800      4004.207590
  1275.386930      447.8288150      170.3539970      66.42803830
  23.52556380      9.759862000      4.512820000      2.160540000
 0.1759220818E-01 0.2079951020E-01 0.3805728525E-01 0.6492964735E-01
 0.1090953359     0.1774678613     0.2459184983     0.2468775460
 0.3390734148     0.6376690683     0.5085798289     0.9393979549E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.2775143      12.78346237
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098713  0.000010880601
 -0.000053217738  0.000013902576
 -0.000449393580  0.000119917275
 -0.001979089064  0.000529372168
 -0.007581598787  0.002030364867
 -0.024909065003  0.006780795041
 -0.071383472092  0.019902210848
 -0.171131797088  0.051396681027
 -0.314720041079  0.108300326250
 -0.361788857823  0.173273691620
 -0.180699613254  0.110407716511
 -0.018639087346 -0.266631575008
  0.001302734997 -0.574227214327
 -0.000901334318 -0.314657453194
  0.000152115913 -0.010894388451
  0.000035384051  0.011987032024
   11    1    6
  9.023092737
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
  0.000231228057
  0.002624762046
  0.015857912907
  0.064151715226
  0.180471081703
  0.332856158675
  0.391917608477
  0.213091611165
  0.022788663130
 -0.009416167594
  0.000317595102
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Ca3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Grossular with orthogonality orbitals
   4.000    1
   16    1
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
   0.000010880601
   0.000013902576
   0.000119917275
   0.000529372168
   0.002030364867
   0.006780795041
   0.019902210848
   0.051396681027
   0.108300326250
   0.173273691620
   0.110407716511
  -0.266631575008
  -0.574227214327
  -0.314657453194
  -0.010894388451
   0.011987032024
   11    1
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
  0.000231228057
  0.002624762046
  0.015857912907
  0.064151715226
  0.180471081703
  0.332856158675
  0.391917608477
  0.213091611165
  0.022788663130
 -0.009416167594
  0.000317595102
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386814.1700      61239.17550      14384.20800      4004.207590
  1275.386930      447.8288150      170.3539970      66.42803830
  23.52556380      9.759862000      4.512820000      2.160540000
 0.1759220818E-01 0.2079951020E-01 0.3805728525E-01 0.6492964735E-01
 0.1090953359     0.1774678613     0.2459184983     0.2468775460
 0.3390734148     0.6376690683     0.5085798289     0.9393979549E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.2775143      12.78346237
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098713  0.000010880601
 -0.000053217738  0.000013902576
 -0.000449393580  0.000119917275
 -0.001979089064  0.000529372168
 -0.007581598787  0.002030364867
 -0.024909065003  0.006780795041
 -0.071383472092  0.019902210848
 -0.171131797088  0.051396681027
 -0.314720041079  0.108300326250
 -0.361788857823  0.173273691620
 -0.180699613254  0.110407716511
 -0.018639087346 -0.266631575008
  0.001302734997 -0.574227214327
 -0.000901334318 -0.314657453194
  0.000152115913 -0.010894388451
  0.000035384051  0.011987032024
   11    1    6
  9.023092737
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
  0.000231228057
  0.002624762046
  0.015857912907
  0.064151715226
  0.180471081703
  0.332856158675
  0.391917608477
  0.213091611165
  0.022788663130
 -0.009416167594
  0.000317595102
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Ca3Al2Si3O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-)  in Grossular
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2175536641E-01 -.3192252509E-01 -.6531526793E-01 -.1221323956
 -.2185000423     -.3848037436     -.5102784700     -.4617649223
 -.7568765278     -1.323231308     -1.040771438     -.6264799373E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.30885762      2.006756386
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201700660  0.001319399838
  0.045637367679  0.009637176604
  0.200041108381  0.046672234517
  0.473802052465  0.116477636974
  0.380854380583  0.104205633654
  0.028870617743  0.064161933651
  0.024696410600 -0.470587894677
 -0.005610097073 -0.635401086762
    6    1    6
 0.5128994588
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013127321176
 -0.085829784534
 -0.247123227011
 -0.448194117988
 -0.493161610211
  0.079450087883
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.17. Mn3Al2Si3O12 (Spessartine)
********************************************************************************
*           E.8.17.a. Mn3Al2Si3O12
*             Structure:
*                    Geiger, American Mineralogist, Volume 82, pages 740–747, 1997
*                    (Ia-3d; a=11.6190A, x=-0.03491, =0.04791, z=0.1525)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Mn.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-Mn.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-Al(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Mn3Al2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-O.
********************************************************************************
/Mn.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-Mn.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Mn(2+) in Mn3Al2Si3O12 (Spessartine)
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  519780.0000      103598.0000      29595.00000      9505.000000
  3339.700000      1264.290000      508.1000000      205.6700000
  79.13800000      35.21300000      16.80330000      4.748900000
  2.231380000     0.8881300000     0.3338000000
 0.6747872321E-01 0.6467605118E-01 0.1088079050     0.1791400814
 0.2893659185     0.4487579485     0.6049164394     0.6626743658
  1.055736459      1.821395721     0.9911737922      1.872102944
  2.346776084     0.8208521505     0.1661454168
M2
    0
COREREP
   1.000
PROJOP
    2
   20    4    2    2    2    0
  484.7621758      58.86578361      7.419214715     -.9991859202
  16703496.00      1869011.500      339227.6300      81300.73600
  23685.41900      7984.175900      3026.372600      1252.083200
  547.0939700      248.2524600      116.4630000      55.81182800
  25.81883000      12.57469400      6.161630700      2.782269400
  1.311920200     0.5889990700     0.1097419100     0.3963042800E-01
 -0.000033364706 -0.000010181060 -0.000003679539  0.000000810317
 -0.000214683893 -0.000065786891 -0.000024463194  0.000003354959
 -0.000614470367 -0.000188196141 -0.000069703325  0.000023855435
 -0.001747002312 -0.000536458090 -0.000198910850  0.000056863347
 -0.004640694949 -0.001430592398 -0.000530704925  0.000158604340
 -0.012141886671 -0.003772637851 -0.001400257309  0.000415752560
 -0.030650121014 -0.009669266636 -0.003597864939  0.001062948470
 -0.073490032319 -0.023937949499 -0.008931224062  0.002670277179
 -0.159725898747 -0.055573266916 -0.020928105773  0.006166454519
 -0.283039367164 -0.112960830605 -0.043172461598  0.013012958841
 -0.342564214685 -0.178177573918 -0.070686916575  0.020787377487
 -0.212092855160 -0.151563886160 -0.063066635518  0.019861782562
 -0.038396595995  0.143767109655  0.067423924931 -0.022601878282
  0.000733666715  0.554801639004  0.353221227180 -0.109051120721
 -0.000997473323  0.416223547951  0.404912951333 -0.144836068243
  0.000439968035  0.060717911287 -0.245188951918  0.115583449405
 -0.000140126125 -0.000670535675 -0.720074261246  0.310018580126
  0.000055472754  0.001359619053 -0.331410469046  0.369252092532
 -0.000008801029 -0.000172177251 -0.003343845843 -1.652602086827
  0.000003898284  0.000044967443  0.003833182727  0.552814783737
   15    2    6    6
  49.58307588      4.629569926
  48651.15400      8367.381300      2285.291000      786.3517300
  310.8725900      134.6939300      62.34761300      30.31535300
  15.40031900      8.229254700      4.645832400      2.598334700
 0.2861196100     0.6692845700      1.370474500
 -0.000038080893  0.000013827418
 -0.000222380389  0.000080673818
 -0.001135936514  0.000414100954
 -0.005106369652  0.001862199459
 -0.019402036695  0.007167747369
 -0.061016612009  0.022873519405
 -0.151921482261  0.059173453562
 -0.278019294960  0.112031348899
 -0.342647892177  0.148386342899
 -0.237107767114  0.080449111222
 -0.082738305273 -0.092291864268
 -0.015150973054 -0.320675115683
 -0.000014430320 -0.032691795392
 -0.000547170558 -0.287931140980
 -0.000741300001 -0.422414923717
    9    1    5
 -.1568886080
  201.1377300      59.69776700      22.71220600      9.550811600
  4.279194200      1.949277000     0.8723660000     0.3751142300
 0.1474217000
  0.000871753956
  0.007321482080
  0.032298371234
  0.099618580724
  0.208177321013
  0.309354047080
  0.315949581313
  0.284399845377
  0.116603209942
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-Al(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Al(3+) in Mn3Al2Si3O12 (Spessartine)
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  372971.1700      57385.37550      13169.30800      3619.437590
  1148.006930      394.6778150      149.5069970      60.26483830
  23.41066380      9.773332000      4.340800000      1.918320000
 0.2198442778E-01 0.2664456182E-01 0.4918142105E-01 0.8351937494E-01
 0.1414341868     0.2358388671     0.3163452841     0.3086892440
 0.3506016843     0.7581772332     0.8202564496     0.2206605987
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.9104282      9.661359676
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666375657  0.001486572950
  0.042199412384  0.011031604989
  0.190348652934  0.054795039553
  0.462111044802  0.144592083693
  0.382427336810  0.138811111069
  0.043216533624  0.073398647289
  0.051224619103 -0.604519292967
  0.066277641440 -0.534560114703
 -0.088974038626  0.024353498617
 -0.002584204913 -0.013719521411
  0.000988315398  0.011980878182
    8    1    6
  6.305856230
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
 -0.013939383263
 -0.091706537705
 -0.297445280101
 -0.500043166541
 -0.311354002106
 -0.012841076622
  0.006188589619
  0.000378730184
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Mn3Al2Si3O12 (Spessartine)
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386124.1700      61183.17550      14380.20800      4004.007590
  1275.086930      447.7088150      170.3139970      66.39503830
  23.50456380      9.751362000      4.509020000      2.160340000
 0.1760547678E-01 0.2079636533E-01 0.3804956683E-01 0.6493354775E-01
 0.1091249282     0.1774784783     0.2459462128     0.2469630634
 0.3393698894     0.6379511386     0.5079879674     0.9379336509E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.2494099      12.75482768
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098713  0.000010881833
 -0.000053217804  0.000013901685
 -0.000449393560  0.000119926170
 -0.001979091391  0.000529354331
 -0.007581595959  0.002030571224
 -0.024909104179  0.006780341638
 -0.071383410523  0.019905064417
 -0.171132196928  0.051390430561
 -0.314719433001  0.108325814400
 -0.361791316307  0.173222121036
 -0.180695583291  0.110526167677
 -0.018645276746 -0.266925892530
  0.001313964399 -0.573631547218
 -0.000912972668 -0.315435878029
  0.000161043625 -0.010401022774
  0.000036486347  0.012268193006
   11    1    6
  8.995332738
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231212278
 -0.002624604645
 -0.015856818899
 -0.064147815801
 -0.180458028701
 -0.332834681156
 -0.391870879472
 -0.213131270422
 -0.023089817545
  0.009889181942
 -0.000395842510
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Mn3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Mn3Al2Si3O12 (Spessartine) with orthogonality orbitals
   4.000    1
   16    1
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
   0.000010881833
   0.000013901685
   0.000119926170
   0.000529354331
   0.002030571224
   0.006780341638
   0.019905064417
   0.051390430561
   0.108325814400
   0.173222121036
   0.110526167677
  -0.266925892530
  -0.573631547218
  -0.315435878029
  -0.010401022774
   0.012268193006
   11    1
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231212278
 -0.002624604645
 -0.015856818899
 -0.064147815801
 -0.180458028701
 -0.332834681156
 -0.391870879472
 -0.213131270422
 -0.023089817545
  0.009889181942
 -0.000395842510
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386124.1700      61183.17550      14380.20800      4004.007590
  1275.086930      447.7088150      170.3139970      66.39503830
  23.50456380      9.751362000      4.509020000      2.160340000
 0.1760547678E-01 0.2079636533E-01 0.3804956683E-01 0.6493354775E-01
 0.1091249282     0.1774784783     0.2459462128     0.2469630634
 0.3393698894     0.6379511386     0.5079879674     0.9379336509E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.2494099      12.75482768
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098713  0.000010881833
 -0.000053217804  0.000013901685
 -0.000449393560  0.000119926170
 -0.001979091391  0.000529354331
 -0.007581595959  0.002030571224
 -0.024909104179  0.006780341638
 -0.071383410523  0.019905064417
 -0.171132196928  0.051390430561
 -0.314719433001  0.108325814400
 -0.361791316307  0.173222121036
 -0.180695583291  0.110526167677
 -0.018645276746 -0.266925892530
  0.001313964399 -0.573631547218
 -0.000912972668 -0.315435878029
  0.000161043625 -0.010401022774
  0.000036486347  0.012268193006
   11    1    6
  8.995332738
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231212278
 -0.002624604645
 -0.015856818899
 -0.064147815801
 -0.180458028701
 -0.332834681156
 -0.391870879472
 -0.213131270422
 -0.023089817545
  0.009889181942
 -0.000395842510
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Mn3Al2Si3O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-)  in Mn3Al2Si3O12 (Spessartine)
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2173945929E-01 -.3188983954E-01 -.6528106624E-01 -.1219938446
 -.2184131619     -.3843852395     -.5100850882     -.4605161800
 -.7557928799     -1.315541769     -1.049120896     -.6524057532E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.32618518      2.019529169
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201807698  0.001317810845
  0.045638251616  0.009618147817
  0.200045203506  0.046641991788
  0.473815740476  0.115918072621
  0.380851722674  0.102642725155
  0.028873047713  0.065337901235
  0.024627060238 -0.467213402588
 -0.005552026250 -0.638225878433
    6    1    6
 0.5215714700
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013093747312
 -0.085514365126
 -0.246775044285
 -0.445211051449
 -0.496879138406
  0.078844588982
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.18. Fe3Al2Si3O12 (Almandine)
********************************************************************************
*           E.8.18.a. Fe3Al2Si3O12
*             Structure:
*                    T.Armbruster et al., American Mineralogist, Volume 77, pages 512-521, 1992
*                    (Ia-3d; a=11.5250A, x=-0.03401, =0.04901, z=0.15278)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Fe.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-Fe.
*             /Al.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-Al(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Fe3Al2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-O.
********************************************************************************
/Fe.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-Fe.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Fe(2+) in Fe3Al2Si3O12 (Almandine)
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  508400.0000      99611.00000      28065.00000      8914.900000
  3097.700000      1159.640000      459.2200000      179.8300000
  70.13000000      32.11700000      13.98460000      4.779600000
  2.266480000     0.9280500000     0.3680800000
 0.7257714904E-01 0.7072746541E-01 0.1197177062     0.1985538360
 0.3233344826     0.4995928511     0.6503176110     0.7186749574
  1.294588375      1.866624052     0.7395410579      2.229044616
  2.272060677     0.8109367602     0.1337084027
M2
    0
COREREP
   1.000
PROJOP
    2
   20    4    2    2    2    0
  527.1214065      64.64916742      8.141730508     -.9819949242
  67207850.00      7313546.000      1289856.000      297297.8000
  82030.03000      25799.18000      8956.748000      3359.596000
  1341.950000      564.5881000      248.3792000      113.5084000
  53.09401000      22.31520000      10.71686000      5.195718000
  1.930177000     0.7799610000     0.1151095000     0.4166107000E-01
  0.000006720927 -0.000002062439 -0.000000952100 -0.000000180229
 -0.000090923095  0.000027970363  0.000011203633 -0.000000455501
 -0.000247517423  0.000076352168  0.000026001820 -0.000006985219
 -0.000681293501  0.000210199324  0.000080609283 -0.000024890005
 -0.001769250945  0.000546861464  0.000202122975 -0.000057827601
 -0.004542444921  0.001411418066  0.000528751283 -0.000155792446
 -0.011836409407  0.003697995753  0.001375555525 -0.000398700619
 -0.031020428261  0.009871703948  0.003709972796 -0.001093595509
 -0.078162096045  0.025607520458  0.009561639891 -0.002766474826
 -0.174345871341  0.061690375703  0.023544926771 -0.006979500641
 -0.307258557901  0.125535485129  0.047961621391 -0.013834990126
 -0.348227079369  0.193965251084  0.079163795177 -0.023965449064
 -0.181297832087  0.119336257939  0.047943570135 -0.012961049041
 -0.021610523282 -0.303293697921 -0.147353934694  0.041570739003
  0.001902246651 -0.596555228620 -0.471057564863  0.159772571324
 -0.000840463266 -0.261365012074 -0.179301083173  0.045081903036
  0.000308110243 -0.017038720444  0.727599718587 -0.282421685885
 -0.000074019203  0.000512044263  0.534233703730 -0.443931733534
  0.000018532283 -0.000229673164  0.011925773251  1.612667785127
 -0.000007978732  0.000130656649 -0.006908621057 -0.546714434132
   15    2    6    6
  54.79164581      5.156826586
  48583.31000      8366.094000      2284.635000      785.7547000
  310.9460000      134.6917000      62.34485000      30.29293000
  15.39223000      8.228276000      4.652599000      2.579492000
  1.363689000     0.6728342000     0.2867754000
  0.000044546068 -0.000016312008
  0.000259159773 -0.000094862730
  0.001323079269 -0.000486430728
  0.005909322813 -0.002176073521
  0.022266848974 -0.008307034344
  0.069231738625 -0.026284120559
  0.168301563732 -0.066456066364
  0.297086664533 -0.121895351978
  0.342713840851 -0.150423459313
  0.212110783946 -0.056975767986
  0.064497325781  0.132761779177
  0.010474010583  0.352521657714
  0.000518451928  0.401540279486
  0.000510189161  0.247296743259
  0.000019354662  0.021021306282
    9    1    6
 0.7657809986E-01
  273.0655000      80.26400000      30.24102000      12.61650000
  5.604395000      2.525704000      1.105013000     0.4598499000
 0.1738600000
  0.000600836938
  0.005340147746
  0.025876511836
  0.085181265734
  0.194670903787
  0.310450448850
  0.339073711479
  0.296421789239
  0.107628823567
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Al.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-Al(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Alo(3+) in Fe3Al2Si3O12 (Almandine)
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  372971.1700      57385.37550      13169.30800      3619.437590
  1148.006930      394.6778150      149.5069970      60.26483830
  23.41066380      9.773332000      4.340800000      1.918320000
 0.2198624936E-01 0.2664201695E-01 0.4919197217E-01 0.8350322670E-01
 0.1414769183     0.2357751277     0.3164908470     0.3084744408
 0.3510251383     0.7575594013     0.8212908503     0.2199171445
M2
    0
COREREP
   1.000
PROJOP
    1
   11    2    2    2
  116.7585458      9.509670569
  5908.580000      885.1210000      200.7280000      56.13320000
  17.16260000      29.59110000      2.997320000      1.069540000
  1.307260000     0.1651860000     0.6055000000E-01
  0.005666373088  0.001486737547
  0.042199367525  0.011033656652
  0.190348608496  0.054798229775
  0.462109470288  0.144658319687
  0.382423781209  0.139005812354
  0.043219797746  0.073259324545
  0.051239821675 -0.605387787772
  0.066370357372 -0.541535217174
 -0.089069964177  0.031039411798
 -0.002606657596 -0.011478999466
  0.000994820206  0.011440361701
    8    1    6
  6.155070284
  122.4420000      28.65160000      8.855250000      2.980410000
  1.001540000     0.3105050000     0.1124240000     0.4102600000E-01
  0.013940140244
  0.091704837062
  0.297468066292
  0.499998835609
  0.311625832988
  0.012692620991
 -0.007220420385
  0.000038516303
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Sit(4+) in Fe3Al2Si3O12 (Almandine)
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386594.1700      61287.17550      14417.20800      4012.507590
  1276.986930      448.5388150      170.7039970      66.55603830
  23.55856380      9.772362000      4.520320000      2.171040000
 0.1759457271E-01 0.2076711319E-01 0.3799204829E-01 0.6491384046E-01
 0.1090487877     0.1772106366     0.2457667182     0.2470787816
 0.3387387107     0.6372569762     0.5088160419     0.9481577249E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.0882903      12.59267433
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098706  0.000010884238
 -0.000053217827  0.000013902431
 -0.000449392929  0.000119957301
 -0.001979093135  0.000529381810
 -0.007581580057  0.002031217391
 -0.024909144062  0.006780245442
 -0.071383183733  0.019913040797
 -0.171132670203  0.051384144624
 -0.314717606949  0.108388922641
 -0.361794913407  0.173140794341
 -0.180689070267  0.110775834594
 -0.018659620764 -0.267516604581
  0.001336119822 -0.572679002180
 -0.000935444768 -0.316976089752
  0.000182625721 -0.008614759210
  0.000033045254  0.012073337802
   11    1    6
  8.835298025
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231207371
 -0.002624765542
 -0.015856461856
 -0.064151923719
 -0.180449673639
 -0.332871750163
 -0.391827111108
 -0.213307754245
 -0.023031703933
  0.010571337545
 -0.000623914827
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Fe3Al2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Sit(4+) in Fe3Al2Si3O12 (Almandine) with orthogonality orbitals
   4.000    1
   16    1
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
   0.000010884238
   0.000013902431
   0.000119957301
   0.000529381810
   0.002031217391
   0.006780245442
   0.019913040797
   0.051384144624
   0.108388922641
   0.173140794341
   0.110775834594
  -0.267516604581
  -0.572679002180
  -0.316976089752
  -0.008614759210
   0.012073337802
   11    1
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231207371
 -0.002624765542
 -0.015856461856
 -0.064151923719
 -0.180449673639
 -0.332871750163
 -0.391827111108
 -0.213307754245
 -0.023031703933
  0.010571337545
 -0.000623914827
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386594.1700      61287.17550      14417.20800      4012.507590
  1276.986930      448.5388150      170.7039970      66.55603830
  23.55856380      9.772362000      4.520320000      2.171040000
 0.1759457271E-01 0.2076711319E-01 0.3799204829E-01 0.6491384046E-01
 0.1090487877     0.1772106366     0.2457667182     0.2470787816
 0.3387387107     0.6372569762     0.5088160419     0.9481577249E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.0882903      12.59267433
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098706  0.000010884238
 -0.000053217827  0.000013902431
 -0.000449392929  0.000119957301
 -0.001979093135  0.000529381810
 -0.007581580057  0.002031217391
 -0.024909144062  0.006780245442
 -0.071383183733  0.019913040797
 -0.171132670203  0.051384144624
 -0.314717606949  0.108388922641
 -0.361794913407  0.173140794341
 -0.180689070267  0.110775834594
 -0.018659620764 -0.267516604581
  0.001336119822 -0.572679002180
 -0.000935444768 -0.316976089752
  0.000182625721 -0.008614759210
  0.000033045254  0.012073337802
   11    1    6
  8.835298025
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231207371
 -0.002624765542
 -0.015856461856
 -0.064151923719
 -0.180449673639
 -0.332871750163
 -0.391827111108
 -0.213307754245
 -0.023031703933
  0.010571337545
 -0.000623914827
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Fe3Al2Si3O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-) in Fe3Al2Si3O12 (Almandine)
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2174710534E-01 -.3191700557E-01 -.6528122886E-01 -.1221227784
 -.2183773878     -.3847872849     -.5099422461     -.4618519556
 -.7549600651     -1.322927927     -1.043741059     -.6234395638E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.35582440      2.059658794
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201713181  0.001317510623
  0.045637641048  0.009620251561
  0.200041477492  0.046615398601
  0.473810528443  0.116128180048
  0.380873959979  0.103432459977
  0.028849856621  0.064583087476
  0.024661783472 -0.467693946610
 -0.005567967968 -0.637901974894
    6    1    6
 0.5587006844
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013102405211
 -0.085768590988
 -0.246499570353
 -0.448329425497
 -0.494148825682
  0.080801987835
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.19. Ca3Fe2Si3O12 (Andradite)
********************************************************************************
*           E.8.19.a. Ca3Fe2Si3O12
*             Structure:
*                    S.Quartieri et al. American Mineralogist 91 (2006) 1240-1248
*                    (Ia-3d; a=11.5250A, x=-0.03401, =0.04901, z=0.15278)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Ca.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-Ca.
*             /Fe.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-Fe(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Ca3Fe2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-O.
********************************************************************************
/Ca.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-Ca.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Ca(2+) in Ca3Fe2Si3O12 (Andradite)
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   14
  386580.0000      61108.00000      14610.00000      4141.000000
  1329.700000      471.9800000      177.6900000      63.14600000
  25.76100000      12.18120000      3.223500000      1.637300000
 0.8392400000     0.4298900000
 0.6024200315E-01 0.7106190061E-01 0.1274626764     0.2201444015
 0.3686973828     0.5556182740     0.6363229877     0.8032762090
  1.557158276      1.295905160     0.7194103979      1.688440269
 0.8712738092     0.2498625320E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   20    3    2    2    2
  299.5915246      33.29280851      3.872679242
  15429060.00      1717766.000      325290.8000      83104.29000
  25219.11000      8662.800000      3220.967000      1283.738000
  543.4592000      240.8390000      109.9677000      51.34453000
  24.28419000      10.50093000      4.922923000      2.340607000
 0.9214525000     0.3826710000     0.6533290000E-01 0.2618455000E-01
 -0.000027810218 -0.000008190289 -0.000002790595
 -0.000115765866 -0.000033740812 -0.000011834972
 -0.000336265849 -0.000098684641 -0.000033829110
 -0.000900925946 -0.000264426910 -0.000091383649
 -0.002361576635 -0.000694260719 -0.000238861519
 -0.006274381700 -0.001856458726 -0.000642529100
 -0.017042352968 -0.005074822128 -0.001745192410
 -0.044365266724 -0.013531450306 -0.004708483755
 -0.105346161364 -0.033385253530 -0.011527337550
 -0.214805781448 -0.075062051945 -0.026585500109
 -0.335645757727 -0.140365185857 -0.049736647420
 -0.309851396584 -0.186534538804 -0.071169470669
 -0.112212596451 -0.043747168999 -0.014106759818
 -0.007663911033  0.400502949293  0.181778654191
 -0.000347967066  0.569358711259  0.442386305976
  0.000034042931  0.176344025243  0.098223413246
  0.000044369559  0.007810888710 -0.689719708553
  0.000013467113  0.000672745202 -0.548615011256
  0.000000769627 -0.000157520365  0.007449153998
 -0.000000503776  0.000068292432  0.001081296301
   15    2    6    6
  26.64615744      2.033294909
  51912.48000      8887.833000      2423.370000      833.8344000
  329.6573000      142.4756000      65.46554000      31.43317000
  15.49410000      7.765115000      3.924985000      1.924370000
 0.9138395000     0.4202105000     0.1757597000
 -0.000014571043 -0.000004794009
 -0.000084899423 -0.000027639940
 -0.000435536187 -0.000144468417
 -0.001990417760 -0.000647618890
 -0.007867795333 -0.002630410928
 -0.026521662521 -0.008747736483
 -0.075263759179 -0.025938168297
 -0.171398466101 -0.059265976693
 -0.294455492868 -0.109103361244
 -0.349415516818 -0.130951129320
 -0.222264936828 -0.065767408440
 -0.049873600831  0.234410917187
 -0.001391677186  0.436434538350
 -0.000696646391  0.441959805173
 -0.000244102582  0.035299838684
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Fe.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-Fe(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Fe(3+) in Ca3Fe2Si3O12 (Andradite)
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  509880.0000      100152.0000      28310.00000      9011.300000
  3131.600000      1172.720000      465.7900000      183.8200000
  71.58800000      32.87600000      15.01080000      4.932600000
  2.427780000      1.063400000     0.4340500000
 0.4700834099E-01 0.4566105243E-01 0.7705611466E-01 0.1280410298
 0.2095118080     0.3268457494     0.4301305864     0.4690740214
 0.8258688187      1.235351984     0.4904456230      1.368094168
  1.472293732     0.4788993541     0.6238428304E-01
M2
    0
COREREP
   1.000
PROJOP
    2
   20    4    2    2    2    0
  522.9613640      64.60090039      8.851620451     -.8042583974
  67207850.00      7313546.000      1289856.000      297297.8000
  82030.03000      25799.18000      8956.748000      3359.596000
  1341.950000      564.5881000      248.3792000      113.5084000
  53.09401000      22.31520000      10.71686000      5.195718000
  1.930177000     0.7799610000     0.1151095000     0.4166107000E-01
  0.000006281920 -0.000001961011 -0.000000929832 -0.000000172798
 -0.000083093863  0.000026007766  0.000010700689 -0.000000215097
 -0.000328871201  0.000103501261  0.000037142732 -0.000008789521
  0.000186702559 -0.000060633123 -0.000021222402  0.000002762363
 -0.000902169920  0.000276864022  0.000102911867 -0.000029726643
 -0.002369849226  0.000720865085  0.000273010484 -0.000085887499
 -0.008772120914  0.002684320638  0.001006784617 -0.000321273073
 -0.026461716724  0.008227430188  0.003117909934 -0.000954730939
 -0.072748983838  0.023294886772  0.008776137994 -0.002840286643
 -0.169411055503  0.058587229708  0.022525524095 -0.006821908573
 -0.306846814162  0.123128347170  0.047526681869 -0.015753447593
 -0.354149751190  0.195000805783  0.080077357322 -0.023445376556
 -0.186888517303  0.130558227988  0.054101084222 -0.021673336755
 -0.022650877005 -0.288565337035 -0.140817844284  0.057645807959
  0.001698465937 -0.602286996375 -0.473138458871  0.139148938977
 -0.001007327307 -0.272499632092 -0.205161036355  0.115101563159
  0.000418598972 -0.018613111815  0.741889384643 -0.426178002208
 -0.000005848277  0.000331661647  0.537950296079 -0.341143095926
  0.000010281605 -0.000013002913 -0.001145700454  1.734041899850
 -0.000025957049  0.000171452149 -0.004327842515 -0.761734955899
   15    2    6    6
  55.60964681      5.972769007
  48583.31000      8366.094000      2284.635000      785.7547000
  310.9460000      134.6917000      62.34485000      30.29293000
  15.39223000      8.228276000      4.652599000      2.579492000
  1.363689000     0.6728342000     0.2867754000
  0.000008829622 -0.000003283331
  0.000130810816 -0.000048319313
  0.000990179042 -0.000368754648
  0.005183773512 -0.001927217987
  0.020899384134 -0.007895003784
  0.067091478571 -0.025728302798
  0.166047894667 -0.066513486979
  0.296262985942 -0.122912643978
  0.344375675031 -0.154708299582
  0.214537240174 -0.058017762865
  0.065256945548  0.128969226627
  0.010656322127  0.367301578294
  0.000287815571  0.403569183859
  0.000599097007  0.243821189809
 -0.000123825028  0.003422662688
    9    1    5
 0.7598298196
  273.0655000      80.26400000      30.24102000      12.61650000
  5.604395000      2.525704000      1.105013000     0.4598499000
 0.1738600000
  0.000595706831
  0.005546992771
  0.027275675722
  0.090281641695
  0.206481327701
  0.328407860099
  0.351790286636
  0.267544954829
  0.066177385558
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Ca3Fe2Si3O12 (Andradite)
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386614.1700      61223.17550      14382.20800      4004.807590
  1275.486930      447.7488150      170.3339970      66.43403830
  23.54556380      9.776962000      4.528020000      2.181440000
 0.1759716635E-01 0.2080159323E-01 0.3805692652E-01 0.6491806479E-01
 0.1091297343     0.1775133396     0.2459052971     0.2468092242
 0.3384850871     0.6365197830     0.5085559629     0.9570782083E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.0911674      12.59498972
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098699  0.000010885496
 -0.000053217779  0.000013904210
 -0.000449392323  0.000119980012
 -0.001979092387  0.000529433246
 -0.007581567294  0.002031660614
 -0.024909141854  0.006780697889
 -0.071383023855  0.019918136821
 -0.171132711906  0.051385041621
 -0.314716442466  0.108425699165
 -0.361795877528  0.173116504878
 -0.180686890845  0.110899597334
 -0.018667345497 -0.267794366364
  0.001346179966 -0.572371734568
 -0.000945282556 -0.317698144639
  0.000194393052 -0.007358451549
  0.000029421566  0.011664390509
   11    1    6
  8.838986321
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231213862
 -0.002625134508
 -0.015856903931
 -0.064161349055
 -0.180449391094
 -0.332945090874
 -0.391796893408
 -0.213511294919
 -0.022560862652
  0.010681620743
 -0.000748063751
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Ca3Fe2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Ca3Fe2Si3O12 (Andradite) with orthogonality orbitals
   4.000    1
   16    1
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
   0.000010885496
   0.000013904210
   0.000119980012
   0.000529433246
   0.002031660614
   0.006780697889
   0.019918136821
   0.051385041621
   0.108425699165
   0.173116504878
   0.110899597334
  -0.267794366364
  -0.572371734568
  -0.317698144639
  -0.007358451549
   0.011664390509
   11    1
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231213862
 -0.002625134508
 -0.015856903931
 -0.064161349055
 -0.180449391094
 -0.332945090874
 -0.391796893408
 -0.213511294919
 -0.022560862652
  0.010681620743
 -0.000748063751
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386614.1700      61223.17550      14382.20800      4004.807590
  1275.486930      447.7488150      170.3339970      66.43403830
  23.54556380      9.776962000      4.528020000      2.181440000
 0.1759716635E-01 0.2080159323E-01 0.3805692652E-01 0.6491806479E-01
 0.1091297343     0.1775133396     0.2459052971     0.2468092242
 0.3384850871     0.6365197830     0.5085559629     0.9570782083E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.0911674      12.59498972
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098699  0.000010885496
 -0.000053217779  0.000013904210
 -0.000449392323  0.000119980012
 -0.001979092387  0.000529433246
 -0.007581567294  0.002031660614
 -0.024909141854  0.006780697889
 -0.071383023855  0.019918136821
 -0.171132711906  0.051385041621
 -0.314716442466  0.108425699165
 -0.361795877528  0.173116504878
 -0.180686890845  0.110899597334
 -0.018667345497 -0.267794366364
  0.001346179966 -0.572371734568
 -0.000945282556 -0.317698144639
  0.000194393052 -0.007358451549
  0.000029421566  0.011664390509
   11    1    6
  8.838986321
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231213862
 -0.002625134508
 -0.015856903931
 -0.064161349055
 -0.180449391094
 -0.332945090874
 -0.391796893408
 -0.213511294919
 -0.022560862652
  0.010681620743
 -0.000748063751
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Ca3Fe2Si3O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-)  in Ca3Fe2Si3O12 (Andradite)
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2175803355E-01 -.3193873871E-01 -.6530575025E-01 -.1222140461
 -.2184418858     -.3850627207     -.5100864962     -.4626803515
 -.7556803375     -1.328268550     -1.037824257     -.6073883207E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.38797590      2.093985487
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201647880  0.001318665781
  0.045637060950  0.009633496529
  0.200039023473  0.046639526181
  0.473800392964  0.116502148366
  0.380870052176  0.104453872170
  0.028853989424  0.063830476455
  0.024709779743 -0.470023640632
 -0.005609144907 -0.635943859292
    6    1    6
 0.5962102876
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
 -0.013122094029
 -0.085996703634
 -0.246636545751
 -0.450696220803
 -0.490687329138
  0.079720904568
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.20. Ca3Sc2Si3O12
********************************************************************************
*           E.8.20.a. Ca3Sc2Si3O12
*             Structure:
*                    S.Quartieri et al., American Mineralogist 91 (2006) 1240-1248
*                    (Ia-3d; a=12.2500A, x=-0.04004, =0.0501, z=0.15887)
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Ca.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-Ca.
*             /Sc.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-Sc(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Ca3Sc2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-O.
********************************************************************************
/Ca.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-Ca.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Ca(2+) in Ca3Sc2Si3O12
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   14
  384290.0000      60558.00000      14466.00000      4091.800000
  1312.000000      465.5600000      174.9900000      62.01800000
  25.37300000      12.01660000      3.100400000      1.583000000
 0.8146200000     0.3838700000
 0.6048198358E-01 0.7144729638E-01 0.1282389359     0.2219765053
 0.3715458776     0.5587114642     0.6376203824     0.8141441251
  1.570390533      1.269706349     0.7899163983      1.680802694
 0.8117561528     0.1326130287E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   20    3    2    2    2
  299.6720429      33.37406470      3.955324151
  15429060.00      1717766.000      325290.8000      83104.29000
  25219.11000      8662.800000      3220.967000      1283.738000
  543.4592000      240.8390000      109.9677000      51.34453000
  24.28419000      10.50093000      4.922923000      2.340607000
 0.9214525000     0.3826710000     0.6533290000E-01 0.2618455000E-01
 -0.000027810214 -0.000008190272 -0.000002790579
 -0.000115765858 -0.000033740810 -0.000011834281
 -0.000336265723 -0.000098683721 -0.000033833746
 -0.000900925681 -0.000264425409 -0.000091386745
 -0.002361575945 -0.000694254926 -0.000238896606
 -0.006274379599 -0.001856449495 -0.000642515949
 -0.017042348318 -0.005074773357 -0.001745569203
 -0.044365250241 -0.013531400288 -0.004708041388
 -0.105346132133 -0.033384872778 -0.011530808418
 -0.214805676074 -0.075061888660 -0.026580250690
 -0.335645600153 -0.140363000615 -0.049759720518
 -0.309851138445 -0.186535157252 -0.071128583449
 -0.112213242104 -0.043743314546 -0.014204751100
 -0.007663826584  0.400485246802  0.182014066011
 -0.000348479740  0.569375654102  0.441913417430
  0.000034731021  0.176318246142  0.099061373997
  0.000043711524  0.007861225767 -0.690854609146
  0.000014073820  0.000632950597 -0.547848103150
  0.000000088502 -0.000118347687  0.007553254884
 -0.000000083504  0.000046039016  0.000616846938
   15    2    6    6
  26.72734158      2.115263137
  51912.48000      8887.833000      2423.370000      833.8344000
  329.6573000      142.4756000      65.46554000      31.43317000
  15.49410000      7.765115000      3.924985000      1.924370000
 0.9138395000     0.4202105000     0.1757597000
 -0.000014570931  0.000004794546
 -0.000084898643  0.000027643673
 -0.000435533202  0.000144482749
 -0.001990398387  0.000647710907
 -0.007867741527  0.002630665475
 -0.026521392467  0.008748982975
 -0.075263183920  0.025940606306
 -0.171396314591  0.059274556466
 -0.294453681971  0.109112248195
 -0.349413156590  0.130976902259
 -0.222269200506  0.065766318424
 -0.049875294001 -0.234415474233
 -0.001400791336 -0.436430539327
 -0.000688777991 -0.442818283921
 -0.000242691025 -0.034045467007
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Sc.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-Sc(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Sc(3+) in Ca3Sc2Si3O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   15
  506750.0000      98854.00000      27649.00000      8778.700000
  3051.100000      1143.000000      457.1800000      189.3000000
  74.18700000      31.90200000      15.55870000      6.238800000
  2.538980000      1.438810000     0.9220800000
 0.3500129211E-01 0.3428570275E-01 0.5803041930E-01 0.9538449938E-01
 0.1552829743     0.2463195774     0.3503887715     0.3909439394
 0.4750744424     0.9277622311     0.9656761882     0.2012916726
  1.018065730     0.7319272898     0.3145652698
M2
    0
COREREP
   1.000
PROJOP
    2
   20    4    2    2    2    0
  331.6252432      38.15800785      5.010956865     -1.118095402
  12809350.00      1543198.000      309741.6000      82804.01000
  25477.23000      8662.397000      3209.424000      1277.854000
  544.1870000      241.5685000      110.0690000      51.22249000
  23.85044000      10.65195000      4.951277000      2.201284000
 0.9952089000     0.4260318000     0.7634914000E-01 0.2966669000E-01
 -0.000018683137  0.000005536485  0.000001849640  0.000000376637
 -0.000184019551  0.000055378462  0.000020417058  0.000004248229
  0.000080771076 -0.000025083966 -0.000009506384 -0.000002413198
 -0.000507659429  0.000149979383  0.000054195996  0.000009545861
 -0.001458055261  0.000427148396  0.000152821262  0.000025230756
 -0.005439336357  0.001605507823  0.000577177612  0.000094973172
 -0.016824938369  0.004998092972  0.001792615984  0.000301731272
 -0.046711502910  0.014229069161  0.005134355756  0.000837653246
 -0.112445409611  0.035802001802  0.012929198313  0.002196327655
 -0.230533778466  0.081648709549  0.029979343472  0.004855010797
 -0.348554603568  0.151513984343  0.056620840219  0.009816958502
 -0.295962533248  0.189178041806  0.074851330759  0.011725862416
 -0.088521929406  0.009329349207  0.002985674482  0.002478380525
 -0.003145339039 -0.461178579916 -0.235976300680 -0.046235620503
 -0.001290037403 -0.556228915258 -0.475748230628 -0.078765600273
  0.000482579089 -0.122782506609 -0.005207882604 -0.025598397504
 -0.000120310079  0.001304522278  0.750804138245  0.262238357793
  0.000094032165 -0.002661072267  0.478654472719  0.099515511636
 -0.000011498372  0.001139235224 -0.035650433931 -0.082549891145
 -0.000002954613 -0.000405552321  0.007935510607 -0.971658553309
   15    2    6    6
  31.34381071      2.998266045
  52100.92000      8878.356000      2420.283000      833.9572000
  329.7121000      142.4848000      65.47393000      31.44028000
  15.48991000      7.769822000      3.926292000      1.903938000
 0.9066862000     0.4223046000     0.1753043000
  0.000003470960 -0.000001217905
  0.000052355354 -0.000017964504
  0.000397373968 -0.000139264820
  0.002115427521 -0.000729229679
  0.008877341304 -0.003132373553
  0.030517207727 -0.010698614706
  0.086381354854 -0.031557687736
  0.191927820409 -0.071005453883
  0.316308621531 -0.125269740356
  0.343976701220 -0.139090592918
  0.185023053212 -0.023511631602
  0.031602894498  0.322791805270
  0.000136962392  0.471512046242
  0.000676230631  0.349489750234
 -0.000391938255 -0.026901269170
    9    1    0
 -.6436649804
  125.9835000      36.09441000      13.19322000      5.290896000
  2.276719000     0.9978463000     0.4322448000     0.1810401000
 0.7055681000E-01
 -0.000730420798
 -0.006791247606
 -0.029791069457
 -0.096632436774
 -0.201795435760
 -0.338812249158
 -0.309125270217
 -0.450118589732
  0.248212931686
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Ca3Sc2Si3O12
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386824.1700      61256.17550      14385.20800      4007.307590
  1276.586930      448.0888150      170.4439970      66.48803830
  23.57856380      9.795362000      4.540920000      2.195340000
 0.1759170270E-01 0.2080320080E-01 0.3805193936E-01 0.6487459819E-01
 0.1090815959     0.1774796151     0.2458860030     0.2467605067
 0.3378590492     0.6355533298     0.5089990744     0.9705938487E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.0714802      12.57401843
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098692  0.000010888313
 -0.000053217803  0.000013905227
 -0.000449391553  0.000120017696
 -0.001979094403  0.000529468248
 -0.007581547988  0.002032441857
 -0.024909188660  0.006780609627
 -0.071382749494  0.019927760807
 -0.171133270605  0.051377724317
 -0.314714236524  0.108501661710
 -0.361800153980  0.173019895059
 -0.180679140213  0.111199010071
 -0.018684607041 -0.268501703672
  0.001372663362 -0.571240409084
 -0.000972008072 -0.319547049630
  0.000220587864 -0.005150100431
  0.000024766391  0.011353576766
   11    1    6
  8.820634101
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231205757
 -0.002625375658
 -0.015856328170
 -0.064167590388
 -0.180436509470
 -0.333001977395
 -0.391722270050
 -0.213771895643
 -0.022394547593
  0.011439819061
 -0.001061373698
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Ca3Sc2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Ca3Sc2Si3O12 with orthogonality orbitals
   4.000    1
   16    1
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
   0.000010888313
   0.000013905227
   0.000120017696
   0.000529468248
   0.002032441857
   0.006780609627
   0.019927760807
   0.051377724317
   0.108501661710
   0.173019895059
   0.111199010071
  -0.268501703672
  -0.571240409084
  -0.319547049630
  -0.005150100431
   0.011353576766
   11    1
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231205757
 -0.002625375658
 -0.015856328170
 -0.064167590388
 -0.180436509470
 -0.333001977395
 -0.391722270050
 -0.213771895643
 -0.022394547593
  0.011439819061
 -0.001061373698
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  386824.1700      61256.17550      14385.20800      4007.307590
  1276.586930      448.0888150      170.4439970      66.48803830
  23.57856380      9.795362000      4.540920000      2.195340000
 0.1759170270E-01 0.2080320080E-01 0.3805193936E-01 0.6487459819E-01
 0.1090815959     0.1774796151     0.2458860030     0.2467605067
 0.3378590492     0.6355533298     0.5089990744     0.9705938487E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.0714802      12.57401843
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098692  0.000010888313
 -0.000053217803  0.000013905227
 -0.000449391553  0.000120017696
 -0.001979094403  0.000529468248
 -0.007581547988  0.002032441857
 -0.024909188660  0.006780609627
 -0.071382749494  0.019927760807
 -0.171133270605  0.051377724317
 -0.314714236524  0.108501661710
 -0.361800153980  0.173019895059
 -0.180679140213  0.111199010071
 -0.018684607041 -0.268501703672
  0.001372663362 -0.571240409084
 -0.000972008072 -0.319547049630
  0.000220587864 -0.005150100431
  0.000024766391  0.011353576766
   11    1    6
  8.820634101
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231205757
 -0.002625375658
 -0.015856328170
 -0.064167590388
 -0.180436509470
 -0.333001977395
 -0.391722270050
 -0.213771895643
 -0.022394547593
  0.011439819061
 -0.001061373698
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Ca3Sc2Si3O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-)  in Ca3Sc2Si3O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2176068139E-01 -.3193591586E-01 -.6532317636E-01 -.1221920742
 -.2185120295     -.3849856166     -.5102967172     -.4623511455
 -.7568749648     -1.326993189     -1.037404143     -.6137034667E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.44014878      2.148124911
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201616900  0.001319459497
  0.045636993870  0.009641222820
  0.200037124528  0.046660763823
  0.473806483924  0.116681627741
  0.380895276394  0.104901217687
  0.028828534381  0.063537785967
  0.024697185479 -0.471254278768
 -0.005594087132 -0.634895384001
    6    1    6
 0.6467565112
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
  0.013135630071
  0.085928653969
  0.247148699374
  0.449813599164
  0.491199775355
 -0.079484485613
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


********************************************************************************
*         E.8.21. Lu2CaMg2Si3O12
********************************************************************************
*           E.8.21.a. Lu2CaMg2Si3O12
*             Structure:
*                    A.A.Setlur et al., Chem. Mater. 18(2006)3314
*                    (Ia-3d; a=11.9750A, x=-0.0351, =0.0538, z=0.1578
*             Embedding potentials:
*                    L. Seijo and Z. Barandiaran,
*                    Phys. Chem. Chem. Phys., 15 (2013) 19221.
*                    Out of SCEI DKH-HF calculations
*             /Lu.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Lu.
*             /Ca.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Ca.
*             /Mg.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Mg(oct).
*             /Si.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Si(tet).
*             /Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Lu2CaMg2Si3O12-Si(tet).
*             /O.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-O.
********************************************************************************
/Lu.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Lu.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Lu(3+) in Lu2CaMg2Si3O12
   3.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  441130.0000      78986.00000      21089.00000      6510.300000
  2144.800000      727.2900000      305.4500000      95.42200000
  51.83800000      11.05620000      5.304800000      1.810700000
 0.8236900000
 0.2406037430     0.2557946439     0.4332835888     0.6520330814
 0.8506819848      1.482588859      1.855862759      2.131588641
  3.592069712      4.950094205      2.980578045      2.338464283
 0.9030231209
M2
    0
COREREP
   1.000
PROJOP
    3
   27    5    2    2    2    2    2
  4669.214682      804.8302321      186.3569500      38.92484656
  4.977518612
 0.6701311900E+11  7216717800.      1171529200.      235233120.0
  55877724.00      14949778.00      4363017.000      1375340.500
  456540.5200      160435.3700      59637.10400      23233.14400
  9474.040900      4032.731300      1779.753900      807.8776800
  374.9260700      172.1622700      81.75905400      34.04620200
  17.67359800      7.084092600      3.479507300     0.9931652500
 0.4458321400     0.7721303500E-01 0.3053352200E-01
 -0.000000244159 -0.000000081509 -0.000000051623  0.000000015328 -0.000000006643
  0.000001120858  0.000000374559  0.000000236647 -0.000000070584  0.000000030560
 -0.000004011432 -0.000001348944 -0.000000839505  0.000000257494 -0.000000110723
  0.000016057859  0.000005559798  0.000003220044 -0.000001123084  0.000000468574
 -0.000595541280 -0.000221485214 -0.000106087664  0.000050450057 -0.000019778835
 -0.000742824110 -0.000280859363 -0.000128808244  0.000065474618 -0.000025371335
 -0.001956849062 -0.000727632361 -0.000351835787  0.000165074089 -0.000064910893
 -0.003949491924 -0.001497905730 -0.000690998523  0.000348563302 -0.000135141193
 -0.008181500879 -0.003073807874 -0.001481830004  0.000700439749 -0.000275554579
 -0.016327091800 -0.006257096969 -0.002933280116  0.001449215584 -0.000561566019
 -0.032284660281 -0.012495628141 -0.005959476475  0.002885521601 -0.001126712883
 -0.063239750961 -0.025221363519 -0.011988781226  0.005864796872 -0.002284886283
 -0.120490529981 -0.050090621132 -0.024128863772  0.011760088953 -0.004583812827
 -0.213403003960 -0.096618158967 -0.046861710506  0.023033796455 -0.008993411799
 -0.315171280866 -0.163496009471 -0.082167505776  0.040358992985 -0.015750391321
 -0.302931793739 -0.195815529020 -0.100636943132  0.050566208411 -0.019844589335
 -0.121186106741  0.010629782631  0.012944295598 -0.008839851112  0.003690999938
 -0.007602093799  0.503632354711  0.431203291161 -0.238273417580  0.095474972840
 -0.000655846211  0.534061668783  0.582641881182 -0.363866720764  0.150260178278
  0.000523977180  0.095857165585 -0.464940694017  0.457441114708 -0.208804227445
 -0.000298542739 -0.014771628432 -0.818860425649  0.986636858797 -0.475234024098
  0.000144190179  0.005047931946 -0.115530875697 -0.614307825665  0.432037865745
 -0.000076425681 -0.002356372609  0.014455582308 -0.857244718214  0.774863926642
  0.000025280027  0.000735595602 -0.003857486733 -0.057488789346 -0.702138912326
 -0.000011435565 -0.000345101359  0.001798137927  0.013030635544 -0.654737938184
  0.000002918352  0.000086932238 -0.000425524830 -0.002446781531 -0.001677716010
 -0.000001437668 -0.000040155604  0.000195421661  0.001137642814  0.006221461124
   23    4    6    6    6    6
  710.2264583      157.2420349      29.14160719      2.438251283
  55602773.00      7765745.900      1589584.300      401810.9500
  118603.3400      39300.00000      14430.35400      5793.124600
  2497.821500      1143.717300      551.3977100      277.7501400
  145.0303300      77.44745600      41.75015500      23.22694800
  12.93638700      7.026064900      3.744504700      1.899190800
 0.9146347400     0.4226736900     0.1733363600
 -0.000001787486 -0.000000941646  0.000000369672 -0.000000210150
 -0.000029778280 -0.000014803249  0.000007475619 -0.000002208202
 -0.000077473699 -0.000039657036  0.000017830828 -0.000007396355
 -0.000219006617 -0.000109128715  0.000055186460 -0.000016207648
 -0.000590314267 -0.000299796764  0.000141846518 -0.000052241141
 -0.001617918222 -0.000820946851  0.000396168005 -0.000137351228
 -0.004448877155 -0.002272304678  0.001092131489 -0.000385269720
 -0.012330231737 -0.006350263769  0.003064248923 -0.001074529197
 -0.033632795525 -0.017577836747  0.008499387264 -0.002995034682
 -0.085361657886 -0.045767211583  0.022289930714 -0.007832556343
 -0.184634876507 -0.103020111933  0.050574435822 -0.017889581126
 -0.306178391533 -0.179922340179  0.089736864417 -0.031622486183
 -0.333940588211 -0.192210170144  0.094507563214 -0.033672054157
 -0.191850066297  0.015580229083 -0.030487879070  0.013330212072
 -0.041369772500  0.389529614604 -0.292135859397  0.110413710785
 -0.001846259048  0.478691783456 -0.385623015456  0.153259488489
 -0.000145658887  0.202678825262  0.045198479659 -0.048910827343
  0.000133670639  0.026107516819  0.546128108166 -0.272994397581
  0.000015743341  0.001459784377  0.482015652466 -0.306023579442
  0.000006046762  0.000165320500  0.118269776408  0.132485407728
 -0.000001385223 -0.000003884438  0.003808978862  0.520819599460
  0.000000056778  0.000004542709  0.001381982045  0.515003612411
  0.000000067483 -0.000004598591 -0.000441904127  0.024900635706
   15    2   10   10
  121.0633589      15.90513011
  16241.49300      4278.988200      1524.597100      640.8577100
  295.5655200      143.5265800      71.89617500      36.65707500
  18.88423700      9.510456800      4.620822600      2.112008600
 0.7516843600     0.2514027000     0.7547191500E-01
  0.000085227909  0.000041409851
  0.000604051322  0.000295456839
  0.003323691269  0.001623951094
  0.014681190082  0.007257030921
  0.052573806428  0.026160221344
  0.148496094682  0.075637977863
  0.301129884361  0.152370923991
  0.388472781929  0.180766956063
  0.249911825017 -0.020930154044
  0.059008204721 -0.385959251374
  0.003152945015 -0.487169720921
  0.000572999879 -0.223602676495
 -0.000003429486 -0.021284940573
  0.000021597308  0.001549969992
 -0.000006333266 -0.000322920186
   10    1   14
  1.247433889
  1573.111300      295.9291500      108.3458800      47.08844000
  21.82595400      10.48002400      4.988653200      2.304761500
 0.9995225700     0.3810215700
 -0.000091148588
 -0.002175038166
 -0.015333911670
 -0.061822277883
 -0.166136937609
 -0.288169400187
 -0.342977516076
 -0.296630046907
 -0.187499722509
 -0.063146590208
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Ca.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Ca.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Ca(2+) in Lu2CaMg2Si3O12
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   14
  385360.0000      60875.00000      14577.00000      4126.200000
  1323.700000      469.9300000      176.8100000      62.80500000
  25.66500000      12.14430000      3.192200000      1.623200000
 0.8310600000     0.4155900000
 0.6036614402E-01 0.7111825512E-01 0.1275885639     0.2208891812
 0.3695656566     0.5565149561     0.6367284451     0.8056061762
  1.558980577      1.289929220     0.7370928229      1.684558975
 0.8572972358     0.2376379094E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   20    3    2    2    2
  299.3931996      33.09230216      3.668938502
  15429060.00      1717766.000      325290.8000      83104.29000
  25219.11000      8662.800000      3220.967000      1283.738000
  543.4592000      240.8390000      109.9677000      51.34453000
  24.28419000      10.50093000      4.922923000      2.340607000
 0.9214525000     0.3826710000     0.6533290000E-01 0.2618455000E-01
 -0.000027810228 -0.000008190314 -0.000002790681
 -0.000115765890 -0.000033740721 -0.000011837539
 -0.000336266225 -0.000098687196 -0.000033811108
 -0.000900926729 -0.000264431028 -0.000091367457
 -0.002361578750 -0.000694275812 -0.000238737155
 -0.006274387766 -0.001856486135 -0.000642510173
 -0.017042367689 -0.005074944729 -0.001743937242
 -0.044365313550 -0.013531617354 -0.004709350855
 -0.105346257694 -0.033386185773 -0.011516178822
 -0.214806076244 -0.075062782228 -0.026598418082
 -0.335646271003 -0.140370392096 -0.049664803560
 -0.309852061335 -0.186534663713 -0.071282253651
 -0.112210857533 -0.043753765309 -0.013819298224
 -0.007663824043  0.400543929055  0.181072652916
 -0.000346987856  0.569326524216  0.443717187365
  0.000032639831  0.176392801694  0.095748652780
  0.000045648249  0.007695973236 -0.686179145098
  0.000012224377  0.000762034802 -0.550886722816
  0.000001748983 -0.000213099335  0.006561117515
 -0.000000926338  0.000086381428  0.002984246748
   15    2    6    6
  26.44581776      1.830795467
  51912.48000      8887.833000      2423.370000      833.8344000
  329.6573000      142.4756000      65.46554000      31.43317000
  15.49410000      7.765115000      3.924985000      1.924370000
 0.9138395000     0.4202105000     0.1757597000
 -0.000014571818 -0.000004790484
 -0.000084904236 -0.000027608855
 -0.000435558464 -0.000144395864
 -0.001990533270 -0.000646807856
 -0.007868198750 -0.002629207087
 -0.026523237850 -0.008736623481
 -0.075267809791 -0.025927244090
 -0.171409807217 -0.059185353936
 -0.294470145975 -0.109085419006
 -0.349431701704 -0.130668170764
 -0.222260850784 -0.066022912301
 -0.049866477396  0.234791861824
 -0.001369657431  0.435360136832
 -0.000717074007  0.440399185713
  0.000247618835  0.038902349857
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Mg.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Mg(oct).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Mg(2+) in Lu2CaMg2Si3O12
   2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   13
  418030.0000      70189.00000      17181.00000      4864.400000
  1561.700000      551.3800000      210.9900000      85.73900000
  34.07700000      12.89920000      5.719000000      2.683900000
  1.266210000
 0.2771106231E-01 0.3115755420E-01 0.5640904935E-01 0.9616521795E-01
 0.1589936297     0.2595896016     0.3935215472     0.4735856307
 0.4415550496     0.7399200046      1.211510227     0.9138273720
 0.1960540535
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  97.71508149      7.143391380
  1694068.000      192336.9000      39966.58000      10658.15000
  3203.178000      1064.467000      385.2409000      149.6694000
  61.39625000      26.30771000      11.48114000      4.164014000
  1.753899000     0.7137424000     0.1131305000     0.4072101000E-01
 -0.000005879461 -0.000001747277
 -0.000046872770 -0.000011680216
 -0.000268489338 -0.000067861006
 -0.001242164673 -0.000314472796
 -0.005072282441 -0.001284676918
 -0.018035643854 -0.004624003562
 -0.055781685919 -0.014573596633
 -0.145276773091 -0.040297768737
 -0.294450977924 -0.091703375411
 -0.384516105786 -0.160703713241
 -0.224543842828 -0.134155170202
 -0.025483236550  0.218817357140
  0.002195369406  0.575779906994
 -0.001198797603  0.361172833505
  0.000227156144  0.004283952580
 -0.000072725257 -0.006607571528
   11    1    6
  4.189936084
  1213.444000      274.6633000      87.11188000      32.75345000
  13.63020000      6.039718000      2.745523000      1.238350000
 0.9013199000     0.5851599000     0.2300177000
 -0.000211716443
 -0.001987694805
 -0.010715240761
 -0.041289246334
 -0.116436366863
 -0.240433052459
 -0.332181228940
 -0.395143622690
  0.121423900524
 -0.220536508204
  0.004566724348
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/Si.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Lu2CaMg2Si3O12
   4.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  390564.1700      62340.17550      14730.20800      4118.807590
  1315.286930      462.0788150      175.7239970      68.67503830
  24.31956380      10.00546200      4.599620000      2.187540000
 0.1747406507E-01 0.2052037388E-01 0.3746174685E-01 0.6377708655E-01
 0.1071259720     0.1746255279     0.2440897495     0.2475511845
 0.3311584849     0.6340747468     0.5226391836     0.9950187838E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.1969834      12.70369963
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098715  0.000010879078
 -0.000053217668  0.000013903151
 -0.000449393693  0.000119903947
 -0.001979086438  0.000529379988
 -0.007581604036  0.002030072363
 -0.024909019219  0.006781159844
 -0.071383568660  0.019898366296
 -0.171131320259  0.051402744713
 -0.314720929460  0.108267659072
 -0.361785820139  0.173329820568
 -0.180704688567  0.110265205168
 -0.018630630067 -0.266278957451
  0.001287801612 -0.574895392537
 -0.000885725275 -0.313725866730
  0.000139102655 -0.011616674539
  0.000035568535  0.011747699925
   11    1    6
  8.942122035
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231242356
 -0.002624934243
 -0.015858912475
 -0.064156064679
 -0.180482618624
 -0.332882044826
 -0.391949095738
 -0.213074738142
 -0.022464399700
  0.008911538263
 -0.000203472514
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator

/Si.ECP.Seijo.16s11p.1s1p.0e-AIMP-Lu2CaMg2Si3O12-Si(tet).
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of Si(4+) in Lu2CaMg2Si3O12 with orthogonality orbitals
   4.000    1
   16    1
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
   0.000010879078
   0.000013903151
   0.000119903947
   0.000529379988
   0.002030072363
   0.006781159844
   0.019898366296
   0.051402744713
   0.108267659072
   0.173329820568
   0.110265205168
  -0.266278957451
  -0.574895392537
  -0.313725866730
  -0.011616674539
   0.011747699925
   11    1
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231242356
 -0.002624934243
 -0.015858912475
 -0.064156064679
 -0.180482618624
 -0.332882044826
 -0.391949095738
 -0.213074738142
 -0.022464399700
  0.008911538263
 -0.000203472514
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  390564.1700      62340.17550      14730.20800      4118.807590
  1315.286930      462.0788150      175.7239970      68.67503830
  24.31956380      10.00546200      4.599620000      2.187540000
 0.1747406507E-01 0.2052037388E-01 0.3746174685E-01 0.6377708655E-01
 0.1071259720     0.1746255279     0.2440897495     0.2475511845
 0.3311584849     0.6340747468     0.5226391836     0.9950187838E-01
M2
    0
COREREP
   1.000
PROJOP
    1
   16    2    2    2
  138.1969834      12.70369963
  1453205.000      183024.6000      37505.20000      9899.251000
  3067.379000      1068.804000      406.1585000      164.8768000
  70.46529000      31.35984000      14.24023000      5.516831000
  2.457151000      1.099921000     0.2572950000     0.9153216000E-01
 -0.000039098715  0.000010879078
 -0.000053217668  0.000013903151
 -0.000449393693  0.000119903947
 -0.001979086438  0.000529379988
 -0.007581604036  0.002030072363
 -0.024909019219  0.006781159844
 -0.071383568660  0.019898366296
 -0.171131320259  0.051402744713
 -0.314720929460  0.108267659072
 -0.361785820139  0.173329820568
 -0.180704688567  0.110265205168
 -0.018630630067 -0.266278957451
  0.001287801612 -0.574895392537
 -0.000885725275 -0.313725866730
  0.000139102655 -0.011616674539
  0.000035568535  0.011747699925
   11    1    6
  8.942122035
  1761.450000      352.2744000      103.8381000      36.92634000
  14.69441000      6.229335000      2.705822000      1.176912000
 0.4186666000     0.1604789000     0.5929782000E-01
 -0.000231242356
 -0.002624934243
 -0.015858912475
 -0.064156064679
 -0.180482618624
 -0.332882044826
 -0.391949095738
 -0.213074738142
 -0.022464399700
  0.008911538263
 -0.000203472514
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


/O.ECP.Seijo.0s.0s.0e-AIMP-Lu2CaMg2Si3O12-O.
L. Seijo, Z. Barandiaran, Phys.Chem.Chem.Phys., 15(2013)19221.
Embedding AIMP of O(2-)  in Lu2CaMg2Si3O12
  -2.000    0
    0    0
*
* External AIMP:
* Local Pot. Param. : (ECP convention)
*                      A(AIMP)=-Zeff*A(ECP)
*
M1
   12
  282885.8300      34740.01200      6502.573000      1486.426000
  406.8273300      124.8370000      41.98461900      13.81633000
  4.272136000      1.610321600     0.6078900000     0.2644720000
 -.2174230124E-01 -.3188761167E-01 -.6529857544E-01 -.1219742317
 -.2184811383     -.3843088314     -.5103141984     -.4603767616
 -.7578810079     -1.311165150     -1.050535288     -.6603490517E-01
M2
    0
COREREP
   1.000
PROJOP
    1
    8    2    2    2
  40.30738060      2.011436063
  2048.050000      309.0990000      70.41410000      19.70120000
  6.031450000      10.22970000     0.9340900000     0.2862500000
  0.006201811976  0.001316692821
  0.045637958342  0.009609917403
  0.200045758796  0.046601297026
  0.473802571640  0.115809102354
  0.380812473230  0.102541784341
  0.028913728696  0.065279029306
  0.024673642722 -0.465893791739
 -0.005608681773 -0.639400936339
    6    1    6
 0.4981329583
  34.97120000      7.845090000      2.303320000     0.7219800000
 0.2155300000     0.5900000000E-01
  0.013152275326
  0.085614659783
  0.248343136667
  0.442040589255
  0.500944742537
 -0.083250416464
*
Spectral Representation Operator
Core primitive basis
Exchange
End of Spectral Representation Operator


