# BSE Version v0.8.4+29.gb6d6a1b
# Data downloaded at 2019-06-24T14:04
# aug-cc-pvtz version number 1
# Description: aug-cc-pVTZ
# Role: orbital
# 
# ********************************************************************************
# If you downloaded data from the basis set
# exchange or used the basis set exchange python library, please cite:
# ********************************************************************************
#     Pritchard, Benjamin P., Altarawy, Doaa, Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     Manuscript in preparation
# 
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem., 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model., 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# ********************************************************************************
# References for the basis set
# ********************************************************************************
# H,B-Ne
#     ## The cc-pVTZ basis set
#     Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. I.
#             The atoms boron through neon and hydrogen
#     J. Chem. Phys., 90, 1007-1023 (1989)
#     10.1063/1.456153
# 
#     ## Augmenting functions for cc-pVTZ
#     Kendall, Rick A., Dunning, Thom H., Harrison, Robert J.
#     Electron affinities of the first-row atoms revisited. Systematic basis
#             sets and wave functions
#     J. Chem. Phys., 96, 6796-6806 (1992)
#     10.1063/1.462569
# 
# He
#     ## The cc-pVTZ basis set
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IV.
#             Calculation of static electrical response properties
#     J. Chem. Phys., 100, 2975-2988 (1994)
#     10.1063/1.466439
# 
#     ## Augmenting functions for cc-pVTZ
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IV.
#             Calculation of static electrical response properties
#     J. Chem. Phys., 100, 2975-2988 (1994)
#     10.1063/1.466439
# 
# Li,Be
#     ## Common functions for cc-pVTZ and similar
#     Prascher, Brian P., Woon, David E., Peterson, Kirk A., Dunning, Thom
#             H., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. VII.
#             Valence, core-valence, and scalar relativistic basis sets for
#             Li, Be, Na, and Mg
#     Theor. Chem. Acc., 128, 69-82 (2011)
#     10.1007/s00214-010-0764-0
# 
#     ## Augmenting functions for cc-pVTZ
#     Prascher, Brian P., Woon, David E., Peterson, Kirk A., Dunning, Thom
#             H., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. VII.
#             Valence, core-valence, and scalar relativistic basis sets for
#             Li, Be, Na, and Mg
#     Theor. Chem. Acc., 128, 69-82 (2011)
#     10.1007/s00214-010-0764-0
# 
# Na,Mg
#     ## Common functions for cc-pVTZ and similar
#     Prascher, Brian P., Woon, David E., Peterson, Kirk A., Dunning, Thom
#             H., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. VII.
#             Valence, core-valence, and scalar relativistic basis sets for
#             Li, Be, Na, and Mg
#     Theor. Chem. Acc., 128, 69-82 (2011)
#     10.1007/s00214-010-0764-0
# 
#     ## Additional functions to form cc-pVTZ
#     Prascher, Brian P., Woon, David E., Peterson, Kirk A., Dunning, Thom
#             H., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. VII.
#             Valence, core-valence, and scalar relativistic basis sets for
#             Li, Be, Na, and Mg
#     Theor. Chem. Acc., 128, 69-82 (2011)
#     10.1007/s00214-010-0764-0
# 
#     ## Augmenting functions for cc-pVTZ
#     Prascher, Brian P., Woon, David E., Peterson, Kirk A., Dunning, Thom
#             H., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. VII.
#             Valence, core-valence, and scalar relativistic basis sets for
#             Li, Be, Na, and Mg
#     Theor. Chem. Acc., 128, 69-82 (2011)
#     10.1007/s00214-010-0764-0
# 
# Al-Ar
#     ## Common functions for cc-pVTZ and similar
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. III.
#             The atoms aluminum through argon
#     J. Chem. Phys., 98, 1358-1371 (1993)
#     10.1063/1.464303
# 
#     ## Additional functions to form cc-pVTZ
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. III.
#             The atoms aluminum through argon
#     J. Chem. Phys., 98, 1358-1371 (1993)
#     10.1063/1.464303
# 
#     ## Augmenting functions for cc-pVTZ
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. III.
#             The atoms aluminum through argon
#     J. Chem. Phys., 98, 1358-1371 (1993)
#     10.1063/1.464303
# 
# Sc-Zn
#     ## The cc-pVTZ basis set
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Systematically convergent basis sets for transition metals. I. All-
#             electron correlation consistent basis sets for the 3d elements
#             Sc-Zn
#     J. Chem. Phys., 123, 064107 (2005)
#     10.1063/1.1998907
# 
#     ## Augmenting functions for cc-pVTZ
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Systematically convergent basis sets for transition metals. I. All-
#             electron correlation consistent basis sets for the 3d elements
#             Sc-Zn
#     J. Chem. Phys., 123, 064107 (2005)
#     10.1063/1.1998907
# 
# Ga-Kr
#     ## The cc-pVTZ basis set
#     Wilson, Angela K., Woon, David E., Peterson, Kirk A., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IX.
#             The atoms gallium through krypton
#     J. Chem. Phys., 110, 7667-7676 (1999)
#     10.1063/1.478678
# 
#     ## Augmenting functions for cc-pVTZ
#     Wilson, Angela K., Woon, David E., Peterson, Kirk A., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IX.
#             The atoms gallium through krypton
#     J. Chem. Phys., 110, 7667-7676 (1999)
#     10.1063/1.478678
# 
# # 
basis "H_aug-cc-pvtz" 
#basis SET: (6s,3p,2d) -> [4s,3p,2d]
H    S
      3.387000E+01           6.068000E-03
      5.095000E+00           4.530800E-02
      1.159000E+00           2.028220E-01
H    S
      3.258000E-01           1.000000E+00
H    S
      1.027000E-01           1.000000E+00
H    S
      0.0252600              1.0000000
H    P
      1.407000E+00           1.000000E+00
H    P
      3.880000E-01           1.000000E+00
H    P
      0.1020000              1.0000000
H    D
      1.057000E+00           1.0000000
H    D
      0.2470000              1.0000000
end
basis "He_aug-cc-pvtz" 
#basis SET: (7s,3p,2d) -> [4s,3p,2d]
He    S
      2.340000E+02           2.587000E-03
      3.516000E+01           1.953300E-02
      7.989000E+00           9.099800E-02
      2.212000E+00           2.720500E-01
He    S
      6.669000E-01           1.000000E+00
He    S
      2.089000E-01           1.000000E+00
He    S
      0.0513800              1.0000000
He    P
      3.044000E+00           1.000000E+00
He    P
      7.580000E-01           1.000000E+00
He    P
      0.1993000              1.0000000
He    D
      1.965000E+00           1.0000000
He    D
      0.4592000              1.0000000
end
basis "Li_aug-cc-pvtz" 
#basis SET: (21s,6p,3d,2f) -> [5s,4p,3d,2f]
Li    S
      5.988000E+03           1.330000E-04
      8.989000E+02           1.025000E-03
      2.059000E+02           5.272000E-03
      5.924000E+01           2.092900E-02
      1.987000E+01           6.634000E-02
      7.406000E+00           1.657750E-01
      2.930000E+00           3.150380E-01
      1.189000E+00           3.935230E-01
      4.798000E-01           1.908700E-01
Li    S
      5.988000E+03          -2.100000E-05
      8.989000E+02          -1.610000E-04
      2.059000E+02          -8.200000E-04
      5.924000E+01          -3.326000E-03
      1.987000E+01          -1.051900E-02
      7.406000E+00          -2.809700E-02
      2.930000E+00          -5.593600E-02
      1.189000E+00          -9.923700E-02
      4.798000E-01          -1.121890E-01
Li    S
      7.509000E-02           1.000000E+00
Li    S
      2.832000E-02           1.000000E+00
Li    S
      7.600000E-03           1.000000E+00
Li    P
      3.266000E+00           8.630000E-03
      6.511000E-01           4.753800E-02
      1.696000E-01           2.097720E-01
Li    P
      5.578000E-02           1.000000E+00
Li    P
      2.050000E-02           1.000000E+00
Li    P
      9.100000E-03           1.000000E+00
Li    D
      1.900000E-01           1.000000E+00
Li    D
      7.250000E-02           1.000000E+00
Li    D
      4.280000E-02           1.000000E+00
Li    F
      1.270000E-01           1.0000000
Li    F
      8.120000E-02           1.000000E+00
end
basis "Be_aug-cc-pvtz" 
#basis SET: (21s,6p,3d,2f) -> [5s,4p,3d,2f]
Be    S
      6.863000E+03           2.360000E-04
      1.030000E+03           1.826000E-03
      2.347000E+02           9.452000E-03
      6.656000E+01           3.795700E-02
      2.169000E+01           1.199650E-01
      7.734000E+00           2.821620E-01
      2.916000E+00           4.274040E-01
      1.130000E+00           2.662780E-01
      1.101000E-01          -7.275000E-03
Be    S
      6.863000E+03          -4.300000E-05
      1.030000E+03          -3.330000E-04
      2.347000E+02          -1.736000E-03
      6.656000E+01          -7.012000E-03
      2.169000E+01          -2.312600E-02
      7.734000E+00          -5.813800E-02
      2.916000E+00          -1.145560E-01
      1.130000E+00          -1.359080E-01
      1.101000E-01           5.774410E-01
Be    S
      2.577000E-01           1.000000E+00
Be    S
      4.409000E-02           1.000000E+00
Be    S
      1.470000E-02           1.000000E+00
Be    P
      7.436000E+00           1.073600E-02
      1.577000E+00           6.285400E-02
      4.352000E-01           2.481800E-01
Be    P
      1.438000E-01           1.000000E+00
Be    P
      4.994000E-02           1.000000E+00
Be    P
      9.300000E-03           1.000000E+00
Be    D
      3.493000E-01           1.000000E+00
Be    D
      1.724000E-01           1.000000E+00
Be    D
      5.880000E-02           1.000000E+00
Be    F
      3.423000E-01           1.0000000
Be    F
      1.188000E-01           1.000000E+00
end
basis "B_aug-cc-pvtz" 
#basis SET: (19s,6p,3d,2f) -> [5s,4p,3d,2f]
B    S
      5.473000E+03           5.550000E-04
      8.209000E+02           4.291000E-03
      1.868000E+02           2.194900E-02
      5.283000E+01           8.444100E-02
      1.708000E+01           2.385570E-01
      5.999000E+00           4.350720E-01
      2.208000E+00           3.419550E-01
      2.415000E-01          -9.545000E-03
B    S
      5.473000E+03          -1.120000E-04
      8.209000E+02          -8.680000E-04
      1.868000E+02          -4.484000E-03
      5.283000E+01          -1.768300E-02
      1.708000E+01          -5.363900E-02
      5.999000E+00          -1.190050E-01
      2.208000E+00          -1.658240E-01
      2.415000E-01           5.959810E-01
B    S
      5.879000E-01           1.000000E+00
B    S
      8.610000E-02           1.000000E+00
B    S
      0.0291400              1.0000000
B    P
      1.205000E+01           1.311800E-02
      2.613000E+00           7.989600E-02
      7.475000E-01           2.772750E-01
B    P
      2.385000E-01           1.000000E+00
B    P
      7.698000E-02           1.000000E+00
B    P
      0.0209600              1.0000000
B    D
      6.610000E-01           1.000000E+00
B    D
      1.990000E-01           1.000000E+00
B    D
      0.0604000              1.0000000
B    F
      4.900000E-01           1.0000000
B    F
      0.1630000              1.0000000
end
basis "C_aug-cc-pvtz" 
#basis SET: (19s,6p,3d,2f) -> [5s,4p,3d,2f]
C    S
      8.236000E+03           5.310000E-04
      1.235000E+03           4.108000E-03
      2.808000E+02           2.108700E-02
      7.927000E+01           8.185300E-02
      2.559000E+01           2.348170E-01
      8.997000E+00           4.344010E-01
      3.319000E+00           3.461290E-01
      3.643000E-01          -8.983000E-03
C    S
      8.236000E+03          -1.130000E-04
      1.235000E+03          -8.780000E-04
      2.808000E+02          -4.540000E-03
      7.927000E+01          -1.813300E-02
      2.559000E+01          -5.576000E-02
      8.997000E+00          -1.268950E-01
      3.319000E+00          -1.703520E-01
      3.643000E-01           5.986840E-01
C    S
      9.059000E-01           1.000000E+00
C    S
      1.285000E-01           1.000000E+00
C    S
      0.0440200              1.0000000
C    P
      1.871000E+01           1.403100E-02
      4.133000E+00           8.686600E-02
      1.200000E+00           2.902160E-01
C    P
      3.827000E-01           1.000000E+00
C    P
      1.209000E-01           1.000000E+00
C    P
      0.0356900              1.0000000
C    D
      1.097000E+00           1.000000E+00
C    D
      3.180000E-01           1.000000E+00
C    D
      0.1000000              1.0000000
C    F
      7.610000E-01           1.0000000
C    F
      0.2680000              1.0000000
end
basis "N_aug-cc-pvtz" 
#basis SET: (19s,6p,3d,2f) -> [5s,4p,3d,2f]
N    S
      1.142000E+04           5.230000E-04
      1.712000E+03           4.045000E-03
      3.893000E+02           2.077500E-02
      1.100000E+02           8.072700E-02
      3.557000E+01           2.330740E-01
      1.254000E+01           4.335010E-01
      4.644000E+00           3.474720E-01
      5.118000E-01          -8.508000E-03
N    S
      1.142000E+04          -1.150000E-04
      1.712000E+03          -8.950000E-04
      3.893000E+02          -4.624000E-03
      1.100000E+02          -1.852800E-02
      3.557000E+01          -5.733900E-02
      1.254000E+01          -1.320760E-01
      4.644000E+00          -1.725100E-01
      5.118000E-01           5.999440E-01
N    S
      1.293000E+00           1.000000E+00
N    S
      1.787000E-01           1.000000E+00
N    S
      0.0576000              1.0000000
N    P
      2.663000E+01           1.467000E-02
      5.948000E+00           9.176400E-02
      1.742000E+00           2.986830E-01
N    P
      5.550000E-01           1.000000E+00
N    P
      1.725000E-01           1.000000E+00
N    P
      0.0491000              1.0000000
N    D
      1.654000E+00           1.000000E+00
N    D
      4.690000E-01           1.000000E+00
N    D
      0.1510000              1.0000000
N    F
      1.093000E+00           1.0000000
N    F
      0.3640000              1.0000000
end
basis "O_aug-cc-pvtz" 
#basis SET: (19s,6p,3d,2f) -> [5s,4p,3d,2f]
O    S
      1.533000E+04           5.080000E-04
      2.299000E+03           3.929000E-03
      5.224000E+02           2.024300E-02
      1.473000E+02           7.918100E-02
      4.755000E+01           2.306870E-01
      1.676000E+01           4.331180E-01
      6.207000E+00           3.502600E-01
      6.882000E-01          -8.154000E-03
O    S
      1.533000E+04          -1.150000E-04
      2.299000E+03          -8.950000E-04
      5.224000E+02          -4.636000E-03
      1.473000E+02          -1.872400E-02
      4.755000E+01          -5.846300E-02
      1.676000E+01          -1.364630E-01
      6.207000E+00          -1.757400E-01
      6.882000E-01           6.034180E-01
O    S
      1.752000E+00           1.000000E+00
O    S
      2.384000E-01           1.000000E+00
O    S
      0.0737600              1.0000000
O    P
      3.446000E+01           1.592800E-02
      7.749000E+00           9.974000E-02
      2.280000E+00           3.104920E-01
O    P
      7.156000E-01           1.000000E+00
O    P
      2.140000E-01           1.000000E+00
O    P
      0.0597400              1.0000000
O    D
      2.314000E+00           1.000000E+00
O    D
      6.450000E-01           1.000000E+00
O    D
      0.2140000              1.0000000
O    F
      1.428000E+00           1.0000000
O    F
      0.5000000              1.0000000
end
basis "F_aug-cc-pvtz" 
#basis SET: (19s,6p,3d,2f) -> [5s,4p,3d,2f]
F    S
      1.950000E+04           5.070000E-04
      2.923000E+03           3.923000E-03
      6.645000E+02           2.020000E-02
      1.875000E+02           7.901000E-02
      6.062000E+01           2.304390E-01
      2.142000E+01           4.328720E-01
      7.950000E+00           3.499640E-01
      8.815000E-01          -7.892000E-03
F    S
      1.950000E+04          -1.170000E-04
      2.923000E+03          -9.120000E-04
      6.645000E+02          -4.717000E-03
      1.875000E+02          -1.908600E-02
      6.062000E+01          -5.965500E-02
      2.142000E+01          -1.400100E-01
      7.950000E+00          -1.767820E-01
      8.815000E-01           6.050430E-01
F    S
      2.257000E+00           1.000000E+00
F    S
      3.041000E-01           1.000000E+00
F    S
      0.0915800              1.0000000
F    P
      4.388000E+01           1.666500E-02
      9.926000E+00           1.044720E-01
      2.930000E+00           3.172600E-01
F    P
      9.132000E-01           1.000000E+00
F    P
      2.672000E-01           1.000000E+00
F    P
      0.0736100              1.0000000
F    D
      3.107000E+00           1.000000E+00
F    D
      8.550000E-01           1.000000E+00
F    D
      0.2920000              1.0000000
F    F
      1.917000E+00           1.0000000
F    F
      0.7240000              1.0000000
end
basis "Ne_aug-cc-pvtz" 
#basis SET: (19s,6p,3d,2f) -> [5s,4p,3d,2f]
Ne    S
      2.435000E+04           5.020000E-04
      3.650000E+03           3.881000E-03
      8.296000E+02           1.999700E-02
      2.340000E+02           7.841800E-02
      7.561000E+01           2.296760E-01
      2.673000E+01           4.327220E-01
      9.927000E+00           3.506420E-01
      1.102000E+00          -7.645000E-03
Ne    S
      2.435000E+04          -1.180000E-04
      3.650000E+03          -9.150000E-04
      8.296000E+02          -4.737000E-03
      2.340000E+02          -1.923300E-02
      7.561000E+01          -6.036900E-02
      2.673000E+01          -1.425080E-01
      9.927000E+00          -1.777100E-01
      1.102000E+00           6.058360E-01
Ne    S
      2.836000E+00           1.000000E+00
Ne    S
      3.782000E-01           1.000000E+00
Ne    S
      0.1133000              1.0000000
Ne    P
      5.470000E+01           1.715100E-02
      1.243000E+01           1.076560E-01
      3.679000E+00           3.216810E-01
Ne    P
      1.143000E+00           1.000000E+00
Ne    P
      3.300000E-01           1.000000E+00
Ne    P
      0.0917500              1.0000000
Ne    D
      4.014000E+00           1.000000E+00
Ne    D
      1.096000E+00           1.000000E+00
Ne    D
      0.3860000              1.0000000
Ne    F
      2.544000E+00           1.0000000
Ne    F
      1.0840000              1.0000000
end
basis "Na_aug-cc-pvtz" 
#basis SET: (45s,19p,3d,2f) -> [6s,5p,3d,2f]
Na    S
      4.230000E+05           1.806180E-05
      6.334000E+04           1.404300E-04
      1.441000E+04           7.384380E-04
      4.077000E+03           3.111820E-03
      1.328000E+03           1.120810E-02
      4.786000E+02           3.528280E-02
      1.862000E+02           9.598970E-02
      7.692000E+01           2.137350E-01
      3.332000E+01           3.486880E-01
      1.500000E+01           3.245660E-01
      6.869000E+00           1.126330E-01
      2.683000E+00           7.067970E-03
      1.109000E+00           5.980100E-04
      6.015000E-02          -5.308700E-06
Na    S
      4.230000E+05          -4.406530E-06
      6.334000E+04          -3.434430E-05
      1.441000E+04          -1.801140E-04
      4.077000E+03          -7.639000E-04
      1.328000E+03          -2.752480E-03
      4.786000E+02          -8.860160E-03
      1.862000E+02          -2.479390E-02
      7.692000E+01          -6.059950E-02
      3.332000E+01          -1.164460E-01
      1.500000E+01          -1.624370E-01
      6.869000E+00          -4.388910E-02
      2.683000E+00           3.379170E-01
      1.109000E+00           5.613470E-01
      6.015000E-02           4.067540E-03
Na    S
      4.230000E+05           6.630190E-07
      6.334000E+04           5.157690E-06
      1.441000E+04           2.712500E-05
      4.077000E+03           1.146350E-04
      1.328000E+03           4.151180E-04
      4.786000E+02           1.329780E-03
      1.862000E+02           3.755950E-03
      7.692000E+01           9.140250E-03
      3.332000E+01           1.798590E-02
      1.500000E+01           2.514770E-02
      6.869000E+00           7.635220E-03
      2.683000E+00          -6.145890E-02
      1.109000E+00          -1.157210E-01
      6.015000E-02           6.264060E-01
Na    S
      4.540000E-01           1.000000E+00
Na    S
      2.382000E-02           1.000000E+00
Na    S
      6.700000E-03           1.000000E+00
Na    P
      2.433000E+02           2.243920E-03
      5.739000E+01           1.739970E-02
      1.810000E+01           7.741250E-02
      6.575000E+00           2.191020E-01
      2.521000E+00           3.785220E-01
      9.607000E-01           3.949020E-01
      3.512000E-01           1.604240E-01
      9.827000E-02           2.333110E-03
Na    P
      2.433000E+02          -2.224010E-04
      5.739000E+01          -1.742770E-03
      1.810000E+01          -7.754560E-03
      6.575000E+00          -2.251870E-02
      2.521000E+00          -3.843300E-02
      9.607000E-01          -4.501770E-02
      3.512000E-01          -1.921320E-02
      9.827000E-02           1.826970E-01
Na    P
      3.734000E-02           1.000000E+00
Na    P
      1.500000E-02           1.000000E+00
Na    P
      1.000000E-02           1.000000E+00
Na    D
      1.473000E-01           1.000000E+00
Na    D
      6.230000E-02           1.000000E+00
Na    D
      2.250000E-02           1.000000E+00
Na    F
      1.284000E-01           1.0000000
Na    F
      7.000000E-02           1.000000E+00
end
basis "Mg_aug-cc-pvtz" 
#basis SET: (42s,19p,3d,2f) -> [6s,5p,3d,2f]
Mg    S
      1.649000E+05           7.299290E-05
      2.471000E+04           5.666520E-04
      5.628000E+03           2.962690E-03
      1.596000E+03           1.229620E-02
      5.210000E+02           4.273240E-02
      1.880000E+02           1.230130E-01
      7.301000E+01           2.748320E-01
      2.990000E+01           4.018180E-01
      1.254000E+01           2.646970E-01
      4.306000E+00           3.326120E-02
      1.826000E+00          -4.413350E-03
      7.417000E-01           2.060240E-03
      7.612000E-02           7.081950E-04
Mg    S
      1.649000E+05          -1.842480E-05
      2.471000E+04          -1.435000E-04
      5.628000E+03          -7.487100E-04
      1.596000E+03          -3.144070E-03
      5.210000E+02          -1.104810E-02
      1.880000E+02          -3.360580E-02
      7.301000E+01          -8.259460E-02
      2.990000E+01          -1.593140E-01
      1.254000E+01          -1.528880E-01
      4.306000E+00           1.908490E-01
      1.826000E+00           5.799640E-01
      7.417000E-01           3.720290E-01
      7.612000E-02          -1.193440E-02
Mg    S
      1.649000E+05           3.551760E-06
      2.471000E+04           2.764200E-05
      5.628000E+03           1.444040E-04
      1.596000E+03           6.057440E-04
      5.210000E+02           2.135270E-03
      1.880000E+02           6.499340E-03
      7.301000E+01           1.614460E-02
      2.990000E+01           3.157660E-02
      1.254000E+01           3.163740E-02
      4.306000E+00          -4.391400E-02
      1.826000E+00          -1.510930E-01
      7.417000E-01          -2.176680E-01
      7.612000E-02           5.472450E-01
Mg    S
      1.457000E-01           1.000000E+00
Mg    S
      3.310000E-02           1.000000E+00
Mg    S
      1.200000E-02           1.000000E+00
Mg    P
      3.169000E+02           2.075320E-03
      7.486000E+01           1.628690E-02
      2.372000E+01           7.386970E-02
      8.669000E+00           2.142970E-01
      3.363000E+00           3.821540E-01
      1.310000E+00           3.981780E-01
      4.911000E-01           1.528780E-01
      2.364000E-01          -4.375400E-03
Mg    P
      3.169000E+02          -3.297270E-04
      7.486000E+01          -2.587540E-03
      2.372000E+01          -1.191200E-02
      8.669000E+00          -3.502270E-02
      3.363000E+00          -6.399680E-02
      1.310000E+00          -7.044360E-02
      4.911000E-01          -3.758360E-02
      2.364000E-01           1.770430E-01
Mg    P
      8.733000E-02           1.000000E+00
Mg    P
      3.237000E-02           1.000000E+00
Mg    P
      9.000000E-03           1.000000E+00
Mg    D
      2.998000E-01           1.000000E+00
Mg    D
      1.285000E-01           1.000000E+00
Mg    D
      4.440000E-02           1.000000E+00
Mg    F
      2.417000E-01           1.0000000
Mg    F
      8.650000E-02           1.000000E+00
end
basis "Al_aug-cc-pvtz" 
#basis SET: (42s,17p,3d,2f) -> [6s,5p,3d,2f]
Al    S
      2.055000E+05           6.788360E-05
      3.078000E+04           5.271490E-04
      7.006000E+03           2.762030E-03
      1.985000E+03           1.147280E-02
      6.491000E+02           3.981880E-02
      2.350000E+02           1.150400E-01
      9.162000E+01           2.608870E-01
      3.767000E+01           3.963860E-01
      1.591000E+01           2.845970E-01
      5.850000E+00           4.445830E-02
      2.542000E+00          -4.898380E-03
      1.057000E+00           2.612530E-03
      1.455000E-01           7.220680E-04
Al    S
      2.055000E+05          -1.763770E-05
      3.078000E+04          -1.371950E-04
      7.006000E+03          -7.189100E-04
      1.985000E+03          -3.011460E-03
      6.491000E+02          -1.060140E-02
      2.350000E+02          -3.213450E-02
      9.162000E+01          -8.031560E-02
      3.767000E+01          -1.567940E-01
      1.591000E+01          -1.683760E-01
      5.850000E+00           1.268790E-01
      2.542000E+00           5.614940E-01
      1.057000E+00           4.366130E-01
      1.455000E-01          -1.145630E-02
Al    S
      2.055000E+05           4.073150E-06
      3.078000E+04           3.165660E-05
      7.006000E+03           1.661160E-04
      1.985000E+03           6.949920E-04
      6.491000E+02           2.455110E-03
      2.350000E+02           7.445980E-03
      9.162000E+01           1.882530E-02
      3.767000E+01           3.727720E-02
      1.591000E+01           4.194960E-02
      5.850000E+00          -3.543750E-02
      2.542000E+00          -1.751320E-01
      1.057000E+00          -2.762030E-01
      1.455000E-01           6.528090E-01
Al    S
      2.931000E-01           1.000000E+00
Al    S
      5.650000E-02           1.000000E+00
Al    S
      0.0221000              1.0000000
Al    P
      4.444000E+02           1.627860E-03
      1.051000E+02           1.306870E-02
      3.347000E+01           6.123410E-02
      1.233000E+01           1.878700E-01
      4.869000E+00           3.604520E-01
      1.961000E+00           4.084540E-01
      1.888000E-01           9.765140E-03
Al    P
      4.444000E+02          -2.863410E-04
      1.051000E+02          -2.423080E-03
      3.347000E+01          -1.086580E-02
      1.233000E+01          -3.643070E-02
      4.869000E+00          -6.410740E-02
      1.961000E+00          -9.722390E-02
      1.888000E-01           5.034480E-01
Al    P
      7.834000E-01           1.000000E+00
Al    P
      5.557000E-02           1.000000E+00
Al    P
      0.0146000              1.0000000
Al    D
      3.330000E-01           1.000000E+00
Al    D
      1.090000E-01           1.000000E+00
Al    D
      0.0356000              1.0000000
Al    F
      2.440000E-01           1.0000000
Al    F
      0.0858000              1.0000000
end
basis "Si_aug-cc-pvtz" 
#basis SET: (42s,17p,3d,2f) -> [6s,5p,3d,2f]
Si    S
      2.549000E+05           6.251010E-05
      3.819000E+04           4.855530E-04
      8.690000E+03           2.545160E-03
      2.462000E+03           1.058660E-02
      8.048000E+02           3.687870E-02
      2.913000E+02           1.074790E-01
      1.136000E+02           2.479360E-01
      4.675000E+01           3.909270E-01
      1.982000E+01           3.020260E-01
      7.708000E+00           5.592360E-02
      3.340000E+00          -4.024060E-03
      1.402000E+00           2.580300E-03
      2.070000E-01           6.079300E-04
Si    S
      2.549000E+05          -1.663700E-05
      3.819000E+04          -1.293100E-04
      8.690000E+03          -6.788280E-04
      2.462000E+03          -2.841170E-03
      8.048000E+02          -1.005510E-02
      2.913000E+02          -3.057740E-02
      1.136000E+02          -7.772560E-02
      4.675000E+01          -1.542360E-01
      1.982000E+01          -1.803680E-01
      7.708000E+00           7.982180E-02
      3.340000E+00           5.474410E-01
      1.402000E+00           4.801190E-01
      2.070000E-01          -1.069960E-02
Si    S
      2.549000E+05           4.262570E-06
      3.819000E+04           3.310620E-05
      8.690000E+03           1.740150E-04
      2.462000E+03           7.275740E-04
      8.048000E+02           2.583330E-03
      2.913000E+02           7.863540E-03
      1.136000E+02           2.021550E-02
      4.675000E+01           4.073200E-02
      1.982000E+01           4.993580E-02
      7.708000E+00          -2.493960E-02
      3.340000E+00          -1.903500E-01
      1.402000E+00          -3.183500E-01
      2.070000E-01           6.811800E-01
Si    S
      4.387000E-01           1.000000E+00
Si    S
      7.944000E-02           1.000000E+00
Si    S
      0.0330000              1.0000000
Si    P
      4.815000E+02           1.920450E-03
      1.139000E+02           1.535520E-02
      3.623000E+01           7.139910E-02
      1.334000E+01           2.130520E-01
      5.252000E+00           3.903540E-01
      2.120000E+00           3.937210E-01
      2.528000E-01           3.956300E-03
Si    P
      4.815000E+02          -4.052200E-04
      1.139000E+02          -3.358960E-03
      3.623000E+01          -1.528600E-02
      1.334000E+01          -4.892180E-02
      5.252000E+00          -8.550080E-02
      2.120000E+00          -1.121370E-01
      2.528000E-01           5.519190E-01
Si    P
      8.561000E-01           1.000000E+00
Si    P
      7.889000E-02           1.000000E+00
Si    P
      0.0237000              1.0000000
Si    D
      4.810000E-01           1.000000E+00
Si    D
      1.590000E-01           1.000000E+00
Si    D
      0.0556000              1.0000000
Si    F
      3.360000E-01           1.0000000
Si    F
      0.1250000              1.0000000
end
basis "P_aug-cc-pvtz" 
#basis SET: (42s,17p,3d,2f) -> [6s,5p,3d,2f]
P    S
      3.124000E+05           5.769600E-05
      4.680000E+04           4.482960E-04
      1.065000E+04           2.349390E-03
      3.018000E+03           9.782650E-03
      9.868000E+02           3.414670E-02
      3.574000E+02           1.002040E-01
      1.396000E+02           2.343720E-01
      5.763000E+01           3.824340E-01
      2.460000E+01           3.180880E-01
      1.012000E+01           7.077880E-02
      4.283000E+00          -1.817990E-03
      1.805000E+00           2.161800E-03
      2.782000E-01           4.322970E-04
P    S
      3.124000E+05          -1.567090E-05
      4.680000E+04          -1.217240E-04
      1.065000E+04          -6.396720E-04
      3.018000E+03          -2.674260E-03
      9.868000E+02          -9.498310E-03
      3.574000E+02          -2.893490E-02
      1.396000E+02          -7.451210E-02
      5.763000E+01          -1.499380E-01
      2.460000E+01          -1.894670E-01
      1.012000E+01           3.632700E-02
      4.283000E+00           5.288160E-01
      1.805000E+00           5.191150E-01
      2.782000E-01          -9.256950E-03
P    S
      3.124000E+05           4.306310E-06
      4.680000E+04           3.341940E-05
      1.065000E+04           1.758850E-04
      3.018000E+03           7.343400E-04
      9.868000E+02           2.617750E-03
      3.574000E+02           7.978520E-03
      1.396000E+02           2.079400E-02
      5.763000E+01           4.244460E-02
      2.460000E+01           5.634360E-02
      1.012000E+01          -1.273580E-02
      4.283000E+00          -1.964950E-01
      1.805000E+00          -3.535550E-01
      2.782000E-01           7.009120E-01
P    S
      6.158000E-01           1.000000E+00
P    S
      1.055000E-01           1.000000E+00
P    S
      0.0409000              1.0000000
P    P
      5.049000E+02           2.337280E-03
      1.194000E+02           1.854100E-02
      3.796000E+01           8.496930E-02
      1.395000E+01           2.446150E-01
      5.457000E+00           4.227660E-01
      2.177000E+00           3.684390E-01
      2.877000E-01          -3.790050E-03
P    P
      5.049000E+02          -5.552360E-04
      1.194000E+02          -4.459130E-03
      3.796000E+01          -2.063500E-02
      1.395000E+01          -6.176940E-02
      5.457000E+00          -1.089240E-01
      2.177000E+00          -1.055990E-01
      2.877000E-01           5.769810E-01
P    P
      8.010000E-01           1.000000E+00
P    P
      9.714000E-02           1.000000E+00
P    P
      0.0307000              1.0000000
P    D
      6.520000E-01           1.000000E+00
P    D
      2.160000E-01           1.000000E+00
P    D
      0.0775000              1.0000000
P    F
      4.520000E-01           1.0000000
P    F
      0.1650000              1.0000000
end
basis "S_aug-cc-pvtz" 
#basis SET: (42s,17p,3d,2f) -> [6s,5p,3d,2f]
S    S
      3.741000E+05           5.421400E-05
      5.605000E+04           4.208550E-04
      1.276000E+04           2.206980E-03
      3.615000E+03           9.192580E-03
      1.183000E+03           3.211230E-02
      4.288000E+02           9.466830E-02
      1.678000E+02           2.236300E-01
      6.947000E+01           3.743930E-01
      2.984000E+01           3.291080E-01
      1.272000E+01           8.470380E-02
      5.244000E+00           4.408510E-04
      2.219000E+00           1.648270E-03
      3.490000E-01           3.013060E-04
S    S
      3.741000E+05          -1.498370E-05
      5.605000E+04          -1.161980E-04
      1.276000E+04          -6.115830E-04
      3.615000E+03          -2.553700E-03
      1.183000E+03          -9.087080E-03
      4.288000E+02          -2.770450E-02
      1.678000E+02          -7.200200E-02
      6.947000E+01          -1.464390E-01
      2.984000E+01          -1.951500E-01
      1.272000E+01           8.191930E-03
      5.244000E+00           5.166010E-01
      2.219000E+00           5.421780E-01
      3.490000E-01          -9.180720E-03
S    S
      3.741000E+05           4.350660E-06
      5.605000E+04           3.371400E-05
      1.276000E+04           1.776740E-04
      3.615000E+03           7.411160E-04
      1.183000E+03           2.645910E-03
      4.288000E+02           8.074870E-03
      1.678000E+02           2.122760E-02
      6.947000E+01           4.383230E-02
      2.984000E+01           6.127160E-02
      1.272000E+01          -3.615100E-03
      5.244000E+00          -2.045100E-01
      2.219000E+00          -3.818710E-01
      3.490000E-01           7.141470E-01
S    S
      7.767000E-01           1.000000E+00
S    S
      1.322000E-01           1.000000E+00
S    S
      0.0497000              1.0000000
S    P
      5.744000E+02           2.422640E-03
      1.358000E+02           1.927960E-02
      4.319000E+01           8.854010E-02
      1.587000E+01           2.546540E-01
      6.208000E+00           4.339840E-01
      2.483000E+00           3.549530E-01
      3.229000E-01          -5.029770E-03
S    P
      5.744000E+02          -6.201020E-04
      1.358000E+02          -4.938820E-03
      4.319000E+01          -2.326470E-02
      1.587000E+01          -6.851950E-02
      6.208000E+00          -1.238960E-01
      2.483000E+00          -9.694990E-02
      3.229000E-01           5.693940E-01
S    P
      8.688000E-01           1.000000E+00
S    P
      1.098000E-01           1.000000E+00
S    P
      0.0351000              1.0000000
S    D
      8.190000E-01           1.000000E+00
S    D
      2.690000E-01           1.000000E+00
S    D
      0.1010000              1.0000000
S    F
      5.570000E-01           1.0000000
S    F
      0.2180000              1.0000000
end
basis "Cl_aug-cc-pvtz" 
#basis SET: (42s,17p,3d,2f) -> [6s,5p,3d,2f]
Cl    S
      4.561000E+05           4.929700E-05
      6.833000E+04           3.830290E-04
      1.555000E+04           2.008540E-03
      4.405000E+03           8.385580E-03
      1.439000E+03           2.947030E-02
      5.204000E+02           8.783250E-02
      2.031000E+02           2.114730E-01
      8.396000E+01           3.653640E-01
      3.620000E+01           3.408840E-01
      1.583000E+01           1.021330E-01
      6.334000E+00           3.116750E-03
      2.694000E+00           1.057510E-03
      4.313000E-01           1.561360E-04
Cl    S
      4.561000E+05          -1.383040E-05
      6.833000E+04          -1.072790E-04
      1.555000E+04          -5.650830E-04
      4.405000E+03          -2.361350E-03
      1.439000E+03          -8.458860E-03
      5.204000E+02          -2.596380E-02
      2.031000E+02          -6.863620E-02
      8.396000E+01          -1.418740E-01
      3.620000E+01          -1.993190E-01
      1.583000E+01          -1.956620E-02
      6.334000E+00           4.997410E-01
      2.694000E+00           5.637360E-01
      4.313000E-01          -8.350910E-03
Cl    S
      4.561000E+05           4.185460E-06
      6.833000E+04           3.243950E-05
      1.555000E+04           1.711050E-04
      4.405000E+03           7.141760E-04
      1.439000E+03           2.567050E-03
      5.204000E+02           7.885520E-03
      2.031000E+02           2.108670E-02
      8.396000E+01           4.422640E-02
      3.620000E+01           6.516700E-02
      1.583000E+01           6.030120E-03
      6.334000E+00          -2.064950E-01
      2.694000E+00          -4.058710E-01
      4.313000E-01           7.256610E-01
Cl    S
      9.768000E-01           1.000000E+00
Cl    S
      1.625000E-01           1.000000E+00
Cl    S
      0.0591000              1.0000000
Cl    P
      6.633000E+02           2.404480E-03
      1.568000E+02           1.921480E-02
      4.998000E+01           8.850970E-02
      1.842000E+01           2.560200E-01
      7.240000E+00           4.369270E-01
      2.922000E+00           3.503340E-01
      3.818000E-01          -4.584230E-03
Cl    P
      6.633000E+02          -6.521450E-04
      1.568000E+02          -5.194450E-03
      4.998000E+01          -2.469380E-02
      1.842000E+01          -7.281670E-02
      7.240000E+00          -1.340300E-01
      2.922000E+00          -9.477420E-02
      3.818000E-01           5.646670E-01
Cl    P
      1.022000E+00           1.000000E+00
Cl    P
      1.301000E-01           1.000000E+00
Cl    P
      0.0419000              1.0000000
Cl    D
      1.046000E+00           1.000000E+00
Cl    D
      3.440000E-01           1.000000E+00
Cl    D
      0.1350000              1.0000000
Cl    F
      7.060000E-01           1.0000000
Cl    F
      0.3120000              1.0000000
end
basis "Ar_aug-cc-pvtz" 
#basis SET: (42s,17p,3d,2f) -> [6s,5p,3d,2f]
Ar    S
      5.450000E+05           4.558280E-05
      8.164000E+04           3.541080E-04
      1.858000E+04           1.857970E-03
      5.261000E+03           7.768510E-03
      1.717000E+03           2.742320E-02
      6.199000E+02           8.238360E-02
      2.416000E+02           2.012300E-01
      9.979000E+01           3.567810E-01
      4.315000E+01           3.495630E-01
      1.914000E+01           1.182660E-01
      7.488000E+00           5.601900E-03
      3.205000E+00           4.834730E-04
      5.204000E-01           2.920250E-05
Ar    S
      5.450000E+05          -1.295510E-05
      8.164000E+04          -1.004280E-04
      1.858000E+04          -5.295830E-04
      5.261000E+03          -2.213960E-03
      1.717000E+03          -7.968450E-03
      6.199000E+02          -2.458030E-02
      2.416000E+02          -6.577980E-02
      9.979000E+01          -1.379420E-01
      4.315000E+01          -2.016300E-01
      1.914000E+01          -4.128340E-02
      7.488000E+00           4.846800E-01
      3.205000E+00           5.792240E-01
      5.204000E-01          -7.275530E-03
Ar    S
      5.450000E+05           4.049900E-06
      8.164000E+04           3.136910E-05
      1.858000E+04           1.656460E-04
      5.261000E+03           6.916620E-04
      1.717000E+03           2.497900E-03
      6.199000E+02           7.710740E-03
      2.416000E+02           2.087140E-02
      9.979000E+01           4.439650E-02
      4.315000E+01           6.802240E-02
      1.914000E+01           1.413500E-02
      7.488000E+00          -2.074890E-01
      3.205000E+00          -4.250450E-01
      5.204000E-01           7.336270E-01
Ar    S
      1.196000E+00           1.000000E+00
Ar    S
      1.954000E-01           1.000000E+00
Ar    S
      0.0685000              1.0000000
Ar    P
      7.618000E+02           2.369760E-03
      1.802000E+02           1.901990E-02
      5.750000E+01           8.808070E-02
      2.124000E+01           2.563770E-01
      8.388000E+00           4.387110E-01
      3.416000E+00           3.475690E-01
      4.523000E-01          -5.238820E-03
Ar    P
      7.618000E+02          -6.672110E-04
      1.802000E+02          -5.327170E-03
      5.750000E+01          -2.554940E-02
      2.124000E+01          -7.571970E-02
      8.388000E+00          -1.411330E-01
      3.416000E+00          -9.327680E-02
      4.523000E-01           5.624500E-01
Ar    P
      1.206000E+00           1.000000E+00
Ar    P
      1.545000E-01           1.000000E+00
Ar    P
      0.0487000              1.0000000
Ar    D
      1.254000E+00           1.000000E+00
Ar    D
      4.100000E-01           1.000000E+00
Ar    D
      0.1690000              1.0000000
Ar    F
      8.900000E-01           1.0000000
Ar    F
      0.4060000              1.0000000
end
basis "Sc_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
Sc    S
      2.715278E+06           8.147221E-06
      4.065984E+05           6.334788E-05
      9.253004E+04           3.330384E-04
      2.620792E+04           1.404055E-03
      8.549429E+03           5.081725E-03
      3.085975E+03           1.626926E-02
      1.203172E+03           4.624577E-02
      4.984869E+02           1.137223E-01
      2.167360E+02           2.257636E-01
      9.787476E+01           3.106700E-01
      4.520433E+01           2.191906E-01
      2.021187E+01           7.215879E-02
      9.574751E+00           1.187030E-01
      4.540346E+00           1.220532E-01
      1.995687E+00           2.136795E-02
      9.422150E-01          -5.357246E-04
      4.178450E-01           2.435774E-04
      9.576100E-02          -8.796617E-05
      5.135100E-02           7.878246E-05
Sc    S
      2.715278E+06          -4.722109E-06
      4.065984E+05          -3.671829E-05
      9.253004E+04          -1.930883E-04
      2.620792E+04          -8.146870E-04
      8.549429E+03          -2.955526E-03
      3.085975E+03          -9.520035E-03
      1.203172E+03          -2.746858E-02
      4.984869E+02          -6.991528E-02
      2.167360E+02          -1.499251E-01
      9.787476E+01          -2.459153E-01
      4.520433E+01          -2.401293E-01
      2.021187E+01           3.567987E-02
      9.574751E+00           4.915023E-01
      4.540346E+00           4.911381E-01
      1.995687E+00           9.120633E-02
      9.422150E-01          -5.356723E-03
      4.178450E-01           8.812836E-04
      9.576100E-02          -7.605536E-04
      5.135100E-02           6.340116E-04
Sc    S
      2.715278E+06           9.139905E-07
      4.065984E+05           7.108513E-06
      9.253004E+04           3.738126E-05
      2.620792E+04           1.578828E-04
      8.549429E+03           5.737686E-04
      3.085975E+03           1.859244E-03
      1.203172E+03           5.433182E-03
      4.984869E+02           1.425387E-02
      2.167360E+02           3.246144E-02
      9.787476E+01           6.003454E-02
      4.520433E+01           6.916105E-02
      2.021187E+01          -2.113084E-02
      9.574751E+00          -2.666832E-01
      4.540346E+00          -4.367591E-01
      1.995687E+00           6.498243E-02
      9.422150E-01           7.009599E-01
      4.178450E-01           4.515562E-01
      9.576100E-02           3.011910E-02
      5.135100E-02          -1.329480E-02
Sc    S
      2.715278E+06          -2.201951E-07
      4.065984E+05          -1.711419E-06
      9.253004E+04          -9.008469E-06
      2.620792E+04          -3.799997E-05
      8.549429E+03          -1.383227E-04
      3.085975E+03          -4.473692E-04
      1.203172E+03          -1.310691E-03
      4.984869E+02          -3.429860E-03
      2.167360E+02          -7.847579E-03
      9.787476E+01          -1.447189E-02
      4.520433E+01          -1.690669E-02
      2.021187E+01           5.396115E-03
      9.574751E+00           6.671062E-02
      4.540346E+00           1.178356E-01
      1.995687E+00          -2.738134E-02
      9.422150E-01          -2.260149E-01
      4.178450E-01          -3.073539E-01
      9.576100E-02           2.544054E-01
      5.135100E-02           5.981590E-01
Sc    S
      2.715278E+06          -3.757238E-07
      4.065984E+05          -2.981907E-06
      9.253004E+04          -1.522586E-05
      2.620792E+04          -6.684686E-05
      8.549429E+03          -2.313129E-04
      3.085975E+03          -7.959729E-04
      1.203172E+03          -2.161961E-03
      4.984869E+02          -6.206459E-03
      2.167360E+02          -1.261905E-02
      9.787476E+01          -2.739459E-02
      4.520433E+01          -2.336516E-02
      2.021187E+01          -5.734627E-03
      9.574751E+00           1.536025E-01
      4.540346E+00           1.447100E-01
      1.995687E+00           9.359699E-02
      9.422150E-01          -8.687730E-01
      4.178450E-01           2.114597E-02
      9.576100E-02           2.275498E+00
      5.135100E-02          -1.190770E+00
Sc    S
      2.715278E+06          -5.962768E-07
      4.065984E+05          -4.822853E-06
      9.253004E+04          -2.395005E-05
      2.620792E+04          -1.090335E-04
      8.549429E+03          -3.601944E-04
      3.085975E+03          -1.311233E-03
      1.203172E+03          -3.322435E-03
      4.984869E+02          -1.037520E-02
      2.167360E+02          -1.892174E-02
      9.787476E+01          -4.755287E-02
      4.520433E+01          -2.931692E-02
      2.021187E+01          -3.090088E-02
      9.574751E+00           3.074597E-01
      4.540346E+00           1.803100E-01
      1.995687E+00           2.358178E-01
      9.422150E-01          -2.388544E+00
      4.178450E-01           2.329407E+00
      9.576100E-02           9.918252E-01
      5.135100E-02          -3.507240E+00
Sc    S
      2.387800E-02           1.000000E+00
Sc    S
      1.110000E-02           1.000000E+00
Sc    P
      1.059219E+04           4.500000E-05
      2.507533E+03           4.010000E-04
      8.144571E+02           2.302000E-03
      3.115195E+02           1.003700E-02
      1.319617E+02           3.495400E-02
      5.998718E+01           9.790900E-02
      2.866250E+01           2.106800E-01
      1.410851E+01           3.300930E-01
      7.103706E+00           3.310270E-01
      3.609200E+00           1.579600E-01
      1.776070E+00           2.209900E-02
      8.547600E-01          -1.605000E-03
      4.022390E-01          -1.326000E-03
      1.546650E-01          -2.800000E-04
      6.494500E-02           3.400000E-05
Sc    P
      1.059219E+04          -1.500000E-05
      2.507533E+03          -1.310000E-04
      8.144571E+02          -7.570000E-04
      3.115195E+02          -3.318000E-03
      1.319617E+02          -1.170600E-02
      5.998718E+01          -3.360400E-02
      2.866250E+01          -7.487900E-02
      1.410851E+01          -1.225480E-01
      7.103706E+00          -1.302760E-01
      3.609200E+00           1.459600E-02
      1.776070E+00           3.091840E-01
      8.547600E-01           4.629980E-01
      4.022390E-01           3.049570E-01
      1.546650E-01           5.087800E-02
      6.494500E-02          -4.493000E-03
Sc    P
      1.059219E+04          -4.000000E-06
      2.507533E+03          -3.200000E-05
      8.144571E+02          -1.850000E-04
      3.115195E+02          -8.080000E-04
      1.319617E+02          -2.870000E-03
      5.998718E+01          -8.207000E-03
      2.866250E+01          -1.847300E-02
      1.410851E+01          -3.010100E-02
      7.103706E+00          -3.294300E-02
      3.609200E+00           7.958000E-03
      1.776070E+00           8.799300E-02
      8.547600E-01           1.523770E-01
      4.022390E-01           9.717000E-02
      1.546650E-01          -2.569380E-01
      6.494500E-02          -5.878150E-01
Sc    P
      1.059219E+04           4.000000E-06
      2.507533E+03           3.900000E-05
      8.144571E+02           2.210000E-04
      3.115195E+02           9.840000E-04
      1.319617E+02           3.423000E-03
      5.998718E+01           9.993000E-03
      2.866250E+01           2.191600E-02
      1.410851E+01           3.700800E-02
      7.103706E+00           3.779400E-02
      3.609200E+00          -4.379000E-03
      1.776070E+00          -1.101640E-01
      8.547600E-01          -1.610170E-01
      4.022390E-01          -1.824820E-01
      1.546650E-01           3.886110E-01
      6.494500E-02           6.911000E-01
Sc    P
      1.059219E+04           9.000000E-06
      2.507533E+03           7.400000E-05
      8.144571E+02           4.790000E-04
      3.115195E+02           1.869000E-03
      1.319617E+02           7.424000E-03
      5.998718E+01           1.876300E-02
      2.866250E+01           4.871700E-02
      1.410851E+01           6.544000E-02
      7.103706E+00           1.079480E-01
      3.609200E+00          -5.871300E-02
      1.776070E+00          -1.703060E-01
      8.547600E-01          -7.549770E-01
      4.022390E-01           6.201170E-01
      1.546650E-01           1.167548E+00
      6.494500E-02          -1.009531E+00
Sc    P
      2.635900E-02           1.000000E+00
Sc    P
      1.066000E-02           1.000000E+00
Sc    D
      5.051380E+01           4.266000E-03
      1.474050E+01           2.770800E-02
      5.195000E+00           1.000010E-01
      2.028460E+00           2.315810E-01
      8.040860E-01           3.460330E-01
      3.076890E-01           3.733740E-01
      1.113920E-01           2.642880E-01
Sc    D
      5.051380E+01          -4.389000E-03
      1.474050E+01          -2.836300E-02
      5.195000E+00          -1.051370E-01
      2.028460E+00          -2.348540E-01
      8.040860E-01          -3.246090E-01
      3.076890E-01          -6.428900E-02
      1.113920E-01           6.017490E-01
Sc    D
      5.051380E+01           5.859000E-03
      1.474050E+01           3.732300E-02
      5.195000E+00           1.419240E-01
      2.028460E+00           3.068960E-01
      8.040860E-01           3.081890E-01
      3.076890E-01          -7.607170E-01
      1.113920E-01          -2.047750E-01
Sc    D
      3.735200E-02           1.000000E+00
Sc    D
      1.244000E-02           1.000000E+00
Sc    F
      7.267000E-01           1.000000E+00
Sc    F
      1.665000E-01           1.000000E+00
Sc    F
      4.063000E-02           1.000000E+00
Sc    G
      4.187000E-01           1.0000000
Sc    G
      9.473000E-02           1.000000E+00
end
basis "Ti_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
Ti    S
      3.014643E+06           8.060782E-06
      4.514329E+05           6.267518E-05
      1.027338E+05           3.295006E-04
      2.909817E+04           1.389203E-03
      9.492330E+03           5.028469E-03
      3.426346E+03           1.610419E-02
      1.335896E+03           4.581232E-02
      5.535026E+02           1.128613E-01
      2.406925E+02           2.248193E-01
      1.087293E+02           3.114571E-01
      5.026457E+01           2.224995E-01
      2.258004E+01           7.293128E-02
      1.071432E+01           1.160683E-01
      5.093546E+00           1.194774E-01
      2.244183E+00           2.097868E-02
      1.059570E+00          -5.091715E-04
      4.688490E-01           2.217859E-04
      1.061430E-01          -7.636896E-05
      5.526200E-02           7.719539E-05
Ti    S
      3.014643E+06          -4.630486E-06
      4.514329E+05          -3.600451E-05
      1.027338E+05          -1.893420E-04
      2.909817E+04          -7.988781E-04
      9.492330E+03          -2.898698E-03
      3.426346E+03          -9.339701E-03
      1.335896E+03          -2.697464E-02
      5.535026E+02          -6.878913E-02
      2.406925E+02          -1.481037E-01
      1.087293E+02          -2.445253E-01
      5.026457E+01          -2.419916E-01
      2.258004E+01           3.183790E-02
      1.071432E+01           4.932686E-01
      5.093546E+00           4.939655E-01
      2.244183E+00           9.196313E-02
      1.059570E+00          -5.316992E-03
      4.688490E-01           8.085624E-04
      1.061430E-01          -6.918459E-04
      5.526200E-02           6.086512E-04
Ti    S
      3.014643E+06           9.230559E-07
      4.514329E+05           7.178974E-06
      1.027338E+05           3.775134E-05
      2.909817E+04           1.594532E-04
      9.492330E+03           5.795150E-04
      3.426346E+03           1.878414E-03
      1.335896E+03           5.492747E-03
      5.535026E+02           1.443297E-02
      2.406925E+02           3.296408E-02
      1.087293E+02           6.125493E-02
      5.026457E+01           7.134113E-02
      2.258004E+01          -1.973150E-02
      1.071432E+01          -2.741869E-01
      5.093546E+00          -4.440977E-01
      2.244183E+00           7.776084E-02
      1.059570E+00           7.068444E-01
      4.688490E-01           4.413892E-01
      1.061430E-01           2.799769E-02
      5.526200E-02          -1.210790E-02
Ti    S
      3.014643E+06          -2.180323E-07
      4.514329E+05          -1.694860E-06
      1.027338E+05          -8.919208E-06
      2.909817E+04          -3.763633E-05
      9.492330E+03          -1.369575E-04
      3.426346E+03          -4.432894E-04
      1.335896E+03          -1.298868E-03
      5.535026E+02          -3.406752E-03
      2.406925E+02          -7.810829E-03
      1.087293E+02          -1.449245E-02
      5.026457E+01          -1.708136E-02
      2.258004E+01           4.897666E-03
      1.071432E+01           6.753108E-02
      5.093546E+00           1.173318E-01
      2.244183E+00          -2.985025E-02
      1.059570E+00          -2.277634E-01
      4.688490E-01          -2.928115E-01
      1.061430E-01           2.665300E-01
      5.526200E-02           5.912406E-01
Ti    S
      3.014643E+06          -3.975126E-07
      4.514329E+05          -3.161080E-06
      1.027338E+05          -1.609375E-05
      2.909817E+04          -7.092947E-05
      9.492330E+03          -2.442710E-04
      3.426346E+03          -8.457892E-04
      1.335896E+03          -2.282208E-03
      5.535026E+02          -6.619873E-03
      2.406925E+02          -1.335024E-02
      1.087293E+02          -2.955830E-02
      5.026457E+01          -2.477039E-02
      2.258004E+01          -8.414624E-03
      1.071432E+01           1.693855E-01
      5.093546E+00           1.500787E-01
      2.244183E+00           9.787777E-02
      1.059570E+00          -9.653608E-01
      4.688490E-01           1.489721E-01
      1.061430E-01           2.191179E+00
      5.526200E-02          -1.243325E+00
Ti    S
      3.014643E+06          -6.302483E-07
      4.514329E+05          -5.084585E-06
      1.027338E+05          -2.534482E-05
      2.909817E+04          -1.148260E-04
      9.492330E+03          -3.817497E-04
      3.426346E+03          -1.379645E-03
      1.335896E+03          -3.531666E-03
      5.535026E+02          -1.092225E-02
      2.406925E+02          -2.029554E-02
      1.087293E+02          -5.024404E-02
      5.026457E+01          -3.316309E-02
      2.258004E+01          -3.098063E-02
      1.071432E+01           3.244673E-01
      5.093546E+00           2.155689E-01
      2.244183E+00           1.499616E-01
      1.059570E+00          -2.420741E+00
      4.688490E-01           2.530874E+00
      1.061430E-01           3.423600E-01
      5.526200E-02          -2.733722E+00
Ti    S
      2.546500E-02           1.000000E+00
Ti    S
      0.0117300              1.0000000
Ti    P
      1.191203E+04           4.400000E-05
      2.819947E+03           3.910000E-04
      9.159479E+02           2.248000E-03
      3.503842E+02           9.823000E-03
      1.484825E+02           3.433800E-02
      6.753944E+01           9.666600E-02
      3.230332E+01           2.094170E-01
      1.592786E+01           3.301890E-01
      8.038035E+00           3.319360E-01
      4.093916E+00           1.584880E-01
      2.022390E+00           2.231000E-02
      9.761020E-01          -1.566000E-03
      4.595950E-01          -1.324000E-03
      1.771520E-01          -2.710000E-04
      7.351700E-02           3.200000E-05
Ti    P
      1.191203E+04          -1.500000E-05
      2.819947E+03          -1.310000E-04
      9.159479E+02          -7.550000E-04
      3.503842E+02          -3.319000E-03
      1.484825E+02          -1.175000E-02
      6.753944E+01          -3.392200E-02
      3.230332E+01          -7.616400E-02
      1.592786E+01          -1.257020E-01
      8.038035E+00          -1.330980E-01
      4.093916E+00           1.740600E-02
      2.022390E+00           3.151650E-01
      9.761020E-01           4.618140E-01
      4.595950E-01           2.998560E-01
      1.771520E-01           5.000000E-02
      7.351700E-02          -4.230000E-03
Ti    P
      1.191203E+04           4.000000E-06
      2.819947E+03           3.100000E-05
      9.159479E+02           1.820000E-04
      3.503842E+02           7.950000E-04
      1.484825E+02           2.833000E-03
      6.753944E+01           8.154000E-03
      3.230332E+01           1.847200E-02
      1.592786E+01           3.040000E-02
      8.038035E+00           3.304700E-02
      4.093916E+00          -8.251000E-03
      2.022390E+00          -8.855400E-02
      9.761020E-01          -1.496120E-01
      4.595950E-01          -9.422700E-02
      1.771520E-01           2.508460E-01
      7.351700E-02           5.866430E-01
Ti    P
      1.191203E+04           4.000000E-06
      2.819947E+03           3.900000E-05
      9.159479E+02           2.230000E-04
      3.503842E+02           9.920000E-04
      1.484825E+02           3.476000E-03
      6.753944E+01           1.017200E-02
      3.230332E+01           2.257600E-02
      1.592786E+01           3.823800E-02
      8.038035E+00           3.933700E-02
      4.093916E+00          -6.106000E-03
      2.022390E+00          -1.129620E-01
      9.761020E-01          -1.681140E-01
      4.595950E-01          -1.659320E-01
      1.771520E-01           3.914030E-01
      7.351700E-02           6.818400E-01
Ti    P
      1.191203E+04           9.000000E-06
      2.819947E+03           7.300000E-05
      9.159479E+02           4.680000E-04
      3.503842E+02           1.856000E-03
      1.484825E+02           7.293000E-03
      6.753944E+01           1.885600E-02
      3.230332E+01           4.840500E-02
      1.592786E+01           6.737800E-02
      8.038035E+00           1.045410E-01
      4.093916E+00          -5.376000E-02
      2.022390E+00          -1.917490E-01
      9.761020E-01          -6.947200E-01
      4.595950E-01           5.601620E-01
      1.771520E-01           1.181336E+00
      7.351700E-02          -9.932720E-01
Ti    P
      2.940100E-02           1.000000E+00
Ti    P
      0.0117600              1.0000000
Ti    D
      6.401300E+01           3.887000E-03
      1.881790E+01           2.639900E-02
      6.728700E+00           9.751100E-02
      2.664130E+00           2.328480E-01
      1.078680E+00           3.531520E-01
      4.232090E-01           3.721860E-01
      1.559990E-01           2.476720E-01
Ti    D
      6.401300E+01          -3.970000E-03
      1.881790E+01          -2.687300E-02
      6.728700E+00          -1.022750E-01
      2.664130E+00          -2.377280E-01
      1.078680E+00          -3.121140E-01
      4.232090E-01          -4.237800E-02
      1.559990E-01           5.886580E-01
Ti    D
      6.401300E+01           6.418000E-03
      1.881790E+01           4.380900E-02
      6.728700E+00           1.723250E-01
      2.664130E+00           3.753320E-01
      1.078680E+00           2.249470E-01
      4.232090E-01          -7.919070E-01
      1.559990E-01          -1.044280E-01
Ti    D
      5.188400E-02           1.000000E+00
Ti    D
      0.0172600              1.0000000
Ti    F
      1.248300E+00           1.000000E+00
Ti    F
      2.836000E-01           1.000000E+00
Ti    F
      0.0826600              1.0000000
Ti    G
      7.251000E-01           1.0000000
Ti    G
      0.2114800              1.0000000
end
basis "V_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
V    S
      3.321857E+06           8.039999E-06
      4.974356E+05           6.251402E-05
      1.132027E+05           3.286553E-04
      3.206333E+04           1.385697E-03
      1.045962E+04           5.016217E-03
      3.775506E+03           1.606931E-02
      1.472040E+03           4.574242E-02
      6.099331E+02           1.128544E-01
      2.652634E+02           2.254344E-01
      1.198607E+02           3.140461E-01
      5.544891E+01           2.267819E-01
      2.498372E+01           7.334069E-02
      1.188056E+01           1.102474E-01
      5.660311E+00           1.131358E-01
      2.495703E+00           1.971295E-02
      1.177866E+00          -4.719088E-04
      5.200440E-01           1.861606E-04
      1.159650E-01          -6.208598E-05
      5.893800E-02           7.295314E-05
V    S
      3.321857E+06          -4.503003E-06
      4.974356E+05          -3.501295E-05
      1.132027E+05          -1.841339E-04
      3.206333E+04          -7.769216E-04
      1.045962E+04          -2.819505E-03
      3.775506E+03          -9.087486E-03
      1.472040E+03          -2.627134E-02
      6.099331E+02          -6.712726E-02
      2.652634E+02          -1.451130E-01
      1.198607E+02          -2.412483E-01
      5.544891E+01          -2.416314E-01
      2.498372E+01           3.067362E-02
      1.188056E+01           4.970415E-01
      5.660311E+00           4.958875E-01
      2.495703E+00           9.181868E-02
      1.177866E+00          -5.392514E-03
      5.200440E-01           7.102380E-04
      1.159650E-01          -6.363128E-04
      5.893800E-02           5.979932E-04
V    S
      3.321857E+06           9.320648E-07
      4.974356E+05           7.249306E-06
      1.132027E+05           3.811967E-05
      3.206333E+04           1.610238E-04
      1.045962E+04           5.852210E-04
      3.775506E+03           1.897502E-03
      1.472040E+03           5.550909E-03
      6.099331E+02           1.460584E-02
      2.652634E+02           3.342974E-02
      1.198607E+02           6.235722E-02
      5.544891E+01           7.312435E-02
      2.498372E+01          -1.911472E-02
      1.188056E+01          -2.817249E-01
      5.660311E+00          -4.488151E-01
      2.495703E+00           9.202696E-02
      1.177866E+00           7.110117E-01
      5.200440E-01           4.309274E-01
      1.159650E-01           2.604589E-02
      5.893800E-02          -1.101049E-02
V    S
      3.321857E+06          -2.158944E-07
      4.974356E+05          -1.678519E-06
      1.132027E+05          -8.831213E-06
      3.206333E+04          -3.727769E-05
      1.045962E+04          -1.356099E-04
      3.775506E+03          -4.392351E-04
      1.472040E+03          -1.286948E-03
      6.099331E+02          -3.382149E-03
      2.652634E+02          -7.765646E-03
      1.198607E+02          -1.447985E-02
      5.544891E+01          -1.715502E-02
      2.498372E+01           4.610101E-03
      1.188056E+01           6.827831E-02
      5.660311E+00           1.161368E-01
      2.495703E+00          -3.277049E-02
      1.177866E+00          -2.280000E-01
      5.200440E-01          -2.793991E-01
      1.159650E-01           2.771165E-01
      5.893800E-02           5.852999E-01
V    S
      3.321857E+06          -4.093416E-07
      4.974356E+05          -3.258956E-06
      1.132027E+05          -1.656390E-05
      3.206333E+04          -7.316689E-05
      1.045962E+04          -2.512784E-04
      3.775506E+03          -8.732657E-04
      1.472040E+03          -2.347654E-03
      6.099331E+02          -6.853150E-03
      2.652634E+02          -1.376420E-02
      1.198607E+02          -3.084679E-02
      5.544891E+01          -2.562208E-02
      2.498372E+01          -1.005123E-02
      1.188056E+01           1.795330E-01
      5.660311E+00           1.522400E-01
      2.495703E+00           9.483887E-02
      1.177866E+00          -1.014876E+00
      5.200440E-01           2.308810E-01
      1.159650E-01           2.113321E+00
      5.893800E-02          -1.253048E+00
V    S
      3.321857E+06          -6.539963E-07
      4.974356E+05          -5.267399E-06
      1.132027E+05          -2.632092E-05
      3.206333E+04          -1.188719E-04
      1.045962E+04          -3.968552E-04
      3.775506E+03          -1.427460E-03
      1.472040E+03          -3.679181E-03
      6.099331E+02          -1.130774E-02
      2.652634E+02          -2.128221E-02
      1.198607E+02          -5.218271E-02
      5.544891E+01          -3.599014E-02
      2.498372E+01          -3.088759E-02
      1.188056E+01           3.380657E-01
      5.660311E+00           2.389559E-01
      2.495703E+00           7.609068E-02
      1.177866E+00          -2.408113E+00
      5.200440E-01           2.633592E+00
      1.159650E-01          -5.358510E-02
      5.893800E-02          -2.230135E+00
V    S
      2.694600E-02           1.000000E+00
V    S
      0.0123200              1.0000000
V    P
      1.327320E+04           4.300000E-05
      3.142126E+03           3.840000E-04
      1.020588E+03           2.210000E-03
      3.904407E+02           9.678000E-03
      1.655043E+02           3.393600E-02
      7.532006E+01           9.591700E-02
      3.605503E+01           2.088530E-01
      1.780436E+01           3.306600E-01
      9.002929E+00           3.323120E-01
      4.594544E+00           1.581880E-01
      2.276760E+00           2.225200E-02
      1.101178E+00          -1.565000E-03
      5.186380E-01          -1.353000E-03
      2.005650E-01          -2.650000E-04
      8.129100E-02           2.900000E-05
V    P
      1.327320E+04          -1.500000E-05
      3.142126E+03          -1.310000E-04
      1.020588E+03          -7.550000E-04
      3.904407E+02          -3.325000E-03
      1.655043E+02          -1.181100E-02
      7.532006E+01          -3.425600E-02
      3.605503E+01          -7.736300E-02
      1.780436E+01          -1.284560E-01
      9.002929E+00          -1.350780E-01
      4.594544E+00           2.083800E-02
      2.276760E+00           3.204990E-01
      1.101178E+00           4.602600E-01
      5.186380E-01           2.953460E-01
      2.005650E-01           4.904600E-02
      8.129100E-02          -3.824000E-03
V    P
      1.327320E+04           4.000000E-06
      3.142126E+03           3.200000E-05
      1.020588E+03           1.830000E-04
      3.904407E+02           8.020000E-04
      1.655043E+02           2.862000E-03
      7.532006E+01           8.287000E-03
      3.605503E+01           1.887000E-02
      1.780436E+01           3.130700E-02
      9.002929E+00           3.366000E-02
      4.594544E+00          -9.479000E-03
      2.276760E+00          -9.231300E-02
      1.101178E+00          -1.489890E-01
      5.186380E-01          -8.364400E-02
      2.005650E-01           2.493390E-01
      8.129100E-02           5.805150E-01
V    P
      1.327320E+04           4.000000E-06
      3.142126E+03           3.900000E-05
      1.020588E+03           2.230000E-04
      3.904407E+02           9.960000E-04
      1.655043E+02           3.498000E-03
      7.532006E+01           1.029600E-02
      3.605503E+01           2.296200E-02
      1.780436E+01           3.920800E-02
      9.002929E+00           3.994300E-02
      4.594544E+00          -7.121000E-03
      2.276760E+00          -1.162250E-01
      1.101178E+00          -1.694960E-01
      5.186380E-01          -1.553740E-01
      2.005650E-01           3.950220E-01
      8.129100E-02           6.789080E-01
V    P
      1.327320E+04           9.000000E-06
      3.142126E+03           7.500000E-05
      1.020588E+03           4.790000E-04
      3.904407E+02           1.906000E-03
      1.655043E+02           7.512000E-03
      7.532006E+01           1.953000E-02
      3.605503E+01           5.040200E-02
      1.780436E+01           7.068500E-02
      9.002929E+00           1.087750E-01
      4.594544E+00          -5.853600E-02
      2.276760E+00          -2.154480E-01
      1.101178E+00          -6.773420E-01
      5.186380E-01           5.859790E-01
      2.005650E-01           1.129108E+00
      8.129100E-02          -9.740510E-01
V    P
      3.179500E-02           1.000000E+00
V    P
      0.0124400              1.0000000
V    D
      7.761150E+01           3.595000E-03
      2.291590E+01           2.521000E-02
      8.279540E+00           9.478600E-02
      3.309930E+00           2.303630E-01
      1.358630E+00           3.528940E-01
      5.413500E-01           3.704140E-01
      2.023560E-01           2.457180E-01
V    D
      7.761150E+01          -3.818000E-03
      2.291590E+01          -2.671700E-02
      8.279540E+00          -1.036900E-01
      3.309930E+00          -2.476890E-01
      1.358630E+00          -3.115230E-01
      5.413500E-01          -2.282700E-02
      2.023560E-01           5.697260E-01
V    D
      7.761150E+01           6.001000E-03
      2.291590E+01           4.220600E-02
      8.279540E+00           1.707510E-01
      3.309930E+00           3.855180E-01
      1.358630E+00           2.062040E-01
      5.413500E-01          -7.786690E-01
      2.023560E-01          -1.147210E-01
V    D
      6.756800E-02           1.000000E+00
V    D
      0.0225600              1.0000000
V    F
      1.774900E+00           1.000000E+00
V    F
      4.125000E-01           1.000000E+00
V    F
      0.1311200              1.0000000
V    G
      1.136800E+00           1.0000000
V    G
      0.3846500              1.0000000
end
basis "Cr_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
Cr    S
      6.177194E+06           4.128667E-06
      9.249295E+05           3.210767E-05
      2.104865E+05           1.688416E-04
      5.962005E+04           7.128520E-04
      1.945076E+04           2.589325E-03
      7.022056E+03           8.377350E-03
      2.738763E+03           2.441725E-02
      1.135814E+03           6.365135E-02
      4.950923E+02           1.427618E-01
      2.247487E+02           2.541275E-01
      1.053836E+02           3.009512E-01
      5.019359E+01           1.766513E-01
      2.224957E+01           6.936709E-02
      1.098265E+01           1.179579E-01
      5.383665E+00           8.916187E-02
      2.343685E+00           1.103630E-02
      1.105202E+00          -3.546048E-04
      4.878480E-01           1.057311E-04
      8.959900E-02           1.114640E-05
Cr    S
      6.177194E+06          -2.301772E-06
      9.249295E+05          -1.789536E-05
      2.104865E+05          -9.416174E-05
      5.962005E+04          -3.975074E-04
      1.945076E+04          -1.447025E-03
      7.022056E+03          -4.694622E-03
      2.738763E+03          -1.382387E-02
      1.135814E+03          -3.674643E-02
      4.950923E+02          -8.647185E-02
      2.247487E+02          -1.696735E-01
      1.053836E+02          -2.507089E-01
      5.019359E+01          -1.961156E-01
      2.224957E+01           1.457244E-01
      1.098265E+01           5.466706E-01
      5.383665E+00           3.979434E-01
      2.343685E+00           5.277007E-02
      1.105202E+00          -4.374537E-03
      4.878480E-01           3.204035E-04
      8.959900E-02          -5.142077E-05
Cr    S
      6.177194E+06           4.862957E-07
      9.249295E+05           3.776645E-06
      2.104865E+05           1.990664E-05
      5.962005E+04           8.389164E-05
      1.945076E+04           3.065706E-04
      7.022056E+03           9.944107E-04
      2.738763E+03           2.961959E-03
      1.135814E+03           7.969473E-03
      4.950923E+02           1.955017E-02
      2.247487E+02           4.085035E-02
      1.053836E+02           6.929003E-02
      5.019359E+01           6.146984E-02
      2.224957E+01          -6.981302E-02
      1.098265E+01          -3.517597E-01
      5.383665E+00          -3.828629E-01
      2.343685E+00           2.676401E-01
      1.105202E+00           7.175950E-01
      4.878480E-01           3.020814E-01
      8.959900E-02           7.749514E-03
Cr    S
      6.177194E+06          -1.102451E-07
      9.249295E+05          -8.530233E-07
      2.104865E+05          -4.520358E-06
      5.962005E+04          -1.891612E-05
      1.945076E+04          -6.974344E-05
      7.022056E+03          -2.237867E-04
      2.738763E+03          -6.754503E-04
      1.135814E+03          -1.789346E-03
      4.950923E+02          -4.477858E-03
      2.247487E+02          -9.140144E-03
      1.053836E+02          -1.610562E-02
      5.019359E+01          -1.334870E-02
      2.224957E+01           1.426027E-02
      1.098265E+01           8.931690E-02
      5.383665E+00           8.885279E-02
      2.343685E+00          -6.368776E-02
      1.105202E+00          -2.783262E-01
      4.878480E-01          -1.830071E-01
      8.959900E-02           6.790937E-01
Cr    S
      6.177194E+06           2.179893E-07
      9.249295E+05           1.612940E-06
      2.104865E+05           9.111842E-06
      5.962005E+04           3.500645E-05
      1.945076E+04           1.435315E-04
      7.022056E+03           4.035896E-04
      2.738763E+03           1.425177E-03
      1.135814E+03           3.114009E-03
      4.950923E+02           9.814449E-03
      2.247487E+02           1.474698E-02
      1.053836E+02           3.911512E-02
      5.019359E+01           9.170888E-03
      2.224957E+01           1.559878E-02
      1.098265E+01          -2.816844E-01
      5.383665E+00          -6.895261E-03
      2.343685E+00          -1.769781E-01
      1.105202E+00           1.443061E+00
      4.878480E-01          -1.029318E+00
      8.959900E-02          -1.307667E+00
Cr    S
      6.177194E+06          -3.669010E-07
      9.249295E+05          -2.768353E-06
      2.104865E+05          -1.521014E-05
      5.962005E+04          -6.066288E-05
      1.945076E+04          -2.374959E-04
      7.022056E+03          -7.077071E-04
      2.738763E+03          -2.334389E-03
      1.135814E+03          -5.555062E-03
      4.950923E+02          -1.585142E-02
      2.247487E+02          -2.737888E-02
      1.053836E+02          -6.106975E-02
      5.019359E+01          -2.887227E-02
      2.224957E+01           6.813714E-03
      1.098265E+01           4.327670E-01
      5.383665E+00           1.968410E-01
      2.343685E+00          -3.764657E-01
      1.105202E+00          -2.052473E+00
      4.878480E-01           2.975741E+00
      8.959900E-02          -2.211705E+00
Cr    S
      3.342300E-02           1.000000E+00
Cr    S
      0.0124700              1.0000000
Cr    P
      1.445420E+04           4.400000E-05
      3.421676E+03           3.890000E-04
      1.111387E+03           2.241000E-03
      4.251918E+02           9.821000E-03
      1.802623E+02           3.447100E-02
      8.206117E+01           9.746000E-02
      3.929726E+01           2.119850E-01
      1.941959E+01           3.339900E-01
      9.828899E+00           3.301370E-01
      5.016810E+00           1.522270E-01
      2.487091E+00           2.042500E-02
      1.198780E+00          -1.360000E-03
      5.586950E-01          -1.195000E-03
      2.089240E-01          -1.970000E-04
      8.460800E-02           2.300000E-05
Cr    P
      1.445420E+04          -1.500000E-05
      3.421676E+03          -1.350000E-04
      1.111387E+03          -7.770000E-04
      4.251918E+02          -3.427000E-03
      1.802623E+02          -1.218900E-02
      8.206117E+01          -3.538800E-02
      3.929726E+01          -7.991500E-02
      1.941959E+01          -1.323350E-01
      9.828899E+00          -1.354010E-01
      5.016810E+00           3.200800E-02
      2.487091E+00           3.338490E-01
      1.198780E+00           4.617730E-01
      5.586950E-01           2.812900E-01
      2.089240E-01           4.184300E-02
      8.460800E-02          -4.002000E-03
Cr    P
      1.445420E+04           4.000000E-06
      3.421676E+03           3.200000E-05
      1.111387E+03           1.850000E-04
      4.251918E+02           8.100000E-04
      1.802623E+02           2.906000E-03
      8.206117E+01           8.391000E-03
      3.929726E+01           1.919300E-02
      1.941959E+01           3.156400E-02
      9.828899E+00           3.341700E-02
      5.016810E+00          -1.290700E-02
      2.487091E+00          -9.365900E-02
      1.198780E+00          -1.499770E-01
      5.586950E-01          -6.723400E-02
      2.089240E-01           2.707590E-01
      8.460800E-02           5.758070E-01
Cr    P
      1.445420E+04           4.000000E-06
      3.421676E+03           4.000000E-05
      1.111387E+03           2.290000E-04
      4.251918E+02           1.019000E-03
      1.802623E+02           3.602000E-03
      8.206117E+01           1.055000E-02
      3.929726E+01           2.370200E-02
      1.941959E+01           3.998800E-02
      9.828899E+00           4.043700E-02
      5.016810E+00          -1.207400E-02
      2.487091E+00          -1.189390E-01
      1.198780E+00          -1.781000E-01
      5.586950E-01          -1.238650E-01
      2.089240E-01           4.297220E-01
      8.460800E-02           6.507860E-01
Cr    P
      1.445420E+04           1.000000E-05
      3.421676E+03           7.900000E-05
      1.111387E+03           5.120000E-04
      4.251918E+02           2.023000E-03
      1.802623E+02           8.055000E-03
      8.206117E+01           2.077200E-02
      3.929726E+01           5.422400E-02
      1.941959E+01           7.468500E-02
      9.828899E+00           1.159890E-01
      5.016810E+00          -7.658400E-02
      2.487091E+00          -2.439310E-01
      1.198780E+00          -6.801810E-01
      5.586950E-01           7.336640E-01
      2.089240E-01           9.991200E-01
      8.460800E-02          -1.017081E+00
Cr    P
      3.325800E-02           1.000000E+00
Cr    P
      0.0130700              1.0000000
Cr    D
      8.857680E+01           3.621000E-03
      2.620450E+01           2.576600E-02
      9.517470E+00           9.755600E-02
      3.822480E+00           2.363120E-01
      1.575120E+00           3.582860E-01
      6.289280E-01           3.685430E-01
      2.344240E-01           2.354940E-01
Cr    D
      8.857680E+01          -4.122000E-03
      2.620450E+01          -2.930700E-02
      9.517470E+00          -1.150620E-01
      3.822480E+00          -2.730680E-01
      1.575120E+00          -3.144230E-01
      6.289280E-01           4.209700E-02
      2.344240E-01           5.914030E-01
Cr    D
      8.857680E+01           5.954000E-03
      2.620450E+01           4.253200E-02
      9.517470E+00           1.745110E-01
      3.822480E+00           3.939000E-01
      1.575120E+00           1.492790E-01
      6.289280E-01          -8.102450E-01
      2.344240E-01           1.091100E-02
Cr    D
      7.681500E-02           1.000000E+00
Cr    D
      0.0251700              1.0000000
Cr    F
      2.251000E+00           1.000000E+00
Cr    F
      5.315000E-01           1.000000E+00
Cr    F
      0.1763600              1.0000000
Cr    G
      1.445900E+00           1.0000000
Cr    G
      0.5132900              1.0000000
end
basis "Mn_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
Mn    S
      3.960805E+06           8.242127E-06
      5.931155E+05           6.408587E-05
      1.349768E+05           3.369253E-04
      3.823067E+04           1.420648E-03
      1.247154E+04           5.143683E-03
      4.501743E+03           1.648569E-02
      1.755212E+03           4.698560E-02
      7.273039E+02           1.162437E-01
      3.163678E+02           2.335277E-01
      1.430098E+02           3.292837E-01
      6.621805E+01           2.440304E-01
      2.991896E+01           7.219806E-02
      1.430318E+01           7.687806E-02
      6.839451E+00           7.852235E-02
      3.012374E+00           1.294109E-02
      1.418808E+00          -3.784873E-04
      6.236240E-01          -2.503203E-05
      1.340980E-01          -2.421517E-05
      6.554800E-02           3.462071E-05
Mn    S
      3.960805E+06          -3.936095E-06
      5.931155E+05          -3.060481E-05
      1.349768E+05          -1.609626E-04
      3.823067E+04          -6.792348E-04
      1.247154E+04          -2.466182E-03
      4.501743E+03          -7.957629E-03
      1.755212E+03          -2.307248E-02
      7.273039E+02          -5.932956E-02
      3.163678E+02          -1.299451E-01
      1.430098E+02          -2.212352E-01
      6.621805E+01          -2.292550E-01
      2.991896E+01           3.580733E-02
      1.430318E+01           5.107602E-01
      6.839451E+00           5.008307E-01
      3.012374E+00           9.011830E-02
      1.418808E+00          -6.909909E-03
      6.236240E-01          -1.912925E-04
      1.340980E-01          -6.032312E-04
      6.554800E-02           5.621608E-04
Mn    S
      3.960805E+06           9.462709E-07
      5.931155E+05           7.360584E-06
      1.349768E+05           3.869935E-05
      3.823067E+04           1.635110E-04
      1.247154E+04           5.941775E-04
      4.501743E+03           1.927737E-03
      1.755212E+03           5.641731E-03
      7.273039E+02           1.487848E-02
      3.163678E+02           3.414783E-02
      1.430098E+02           6.405794E-02
      6.621805E+01           7.557659E-02
      2.991896E+01          -1.946070E-02
      1.430318E+01          -2.957874E-01
      6.839451E+00          -4.521170E-01
      3.012374E+00           1.224531E-01
      1.418808E+00           7.169756E-01
      6.236240E-01           4.092712E-01
      1.340980E-01           2.221969E-02
      6.554800E-02          -9.011202E-03
Mn    S
      3.960805E+06          -2.095391E-07
      5.931155E+05          -1.629439E-06
      1.349768E+05          -8.570592E-06
      3.823067E+04          -3.619272E-05
      1.247154E+04          -1.316146E-04
      4.501743E+03          -4.266810E-04
      1.755212E+03          -1.250270E-03
      7.273039E+02          -3.294665E-03
      3.163678E+02          -7.581860E-03
      1.430098E+02          -1.422864E-02
      6.621805E+01          -1.693796E-02
      2.991896E+01           4.454298E-03
      1.430318E+01           6.867042E-02
      6.839451E+00           1.113335E-01
      3.012374E+00          -3.900820E-02
      1.418808E+00          -2.215755E-01
      6.236240E-01          -2.544359E-01
      1.340980E-01           2.865866E-01
      6.554800E-02           5.755741E-01
Mn    S
      3.960805E+06          -4.121231E-07
      5.931155E+05          -3.282099E-06
      1.349768E+05          -1.667433E-05
      3.823067E+04          -7.369999E-05
      1.247154E+04          -2.529495E-04
      4.501743E+03          -8.801425E-04
      1.755212E+03          -2.365482E-03
      7.273039E+02          -6.926354E-03
      3.163678E+02          -1.393851E-02
      1.430098E+02          -3.143840E-02
      6.621805E+01          -2.625749E-02
      2.991896E+01          -1.048313E-02
      1.430318E+01           1.856472E-01
      6.839451E+00           1.524839E-01
      3.012374E+00           7.411368E-02
      1.418808E+00          -1.018097E+00
      6.236240E-01           2.980372E-01
      1.340980E-01           1.971989E+00
      6.554800E-02          -1.179253E+00
Mn    S
      3.960805E+06          -6.805493E-07
      5.931155E+05          -5.460516E-06
      1.349768E+05          -2.743893E-05
      3.823067E+04          -1.230291E-04
      1.247154E+04          -4.146269E-04
      4.501743E+03          -1.475151E-03
      1.755212E+03          -3.859140E-03
      7.273039E+02          -1.168405E-02
      3.163678E+02          -2.257185E-02
      1.430098E+02          -5.399759E-02
      6.621805E+01          -4.032351E-02
      2.991896E+01          -2.742526E-02
      1.430318E+01           3.485593E-01
      6.839451E+00           2.757818E-01
      3.012374E+00          -5.499812E-02
      1.418808E+00          -2.292545E+00
      6.236240E-01           2.635644E+00
      1.340980E-01          -3.379113E-01
      6.554800E-02          -1.789607E+00
Mn    S
      2.958400E-02           1.000000E+00
Mn    S
      0.0133500              1.0000000
Mn    P
      1.620586E+04           4.200000E-05
      3.836274E+03           3.730000E-04
      1.246048E+03           2.149000E-03
      4.767535E+02           9.445000E-03
      2.021895E+02           3.329700E-02
      9.209487E+01           9.475900E-02
      4.414720E+01           2.081440E-01
      2.185468E+01           3.318050E-01
      1.108596E+01           3.331750E-01
      5.674108E+00           1.576010E-01
      2.823170E+00           2.144500E-02
      1.368621E+00          -2.558000E-03
      6.444310E-01          -2.027000E-03
      2.483820E-01          -3.600000E-04
      9.725500E-02           3.400000E-05
Mn    P
      1.620586E+04          -1.500000E-05
      3.836274E+03          -1.290000E-04
      1.246048E+03          -7.480000E-04
      4.767535E+02          -3.308000E-03
      2.021895E+02          -1.181100E-02
      9.209487E+01          -3.453300E-02
      4.414720E+01          -7.878500E-02
      2.185468E+01          -1.321830E-01
      1.108596E+01          -1.371950E-01
      5.674108E+00           2.707500E-02
      2.823170E+00           3.288910E-01
      1.368621E+00           4.572800E-01
      6.444310E-01           2.889080E-01
      2.483820E-01           4.743300E-02
      9.725500E-02          -3.522000E-03
Mn    P
      1.620586E+04           3.000000E-06
      3.836274E+03           3.000000E-05
      1.246048E+03           1.720000E-04
      4.767535E+02           7.620000E-04
      2.021895E+02           2.726000E-03
      9.209487E+01           7.976000E-03
      4.414720E+01           1.828700E-02
      2.185468E+01           3.077600E-02
      1.108596E+01           3.237300E-02
      5.674108E+00          -9.978000E-03
      2.823170E+00          -9.052900E-02
      1.368621E+00          -1.380040E-01
      6.444310E-01          -7.796500E-02
      2.483820E-01           2.295600E-01
      9.725500E-02           5.761220E-01
Mn    P
      1.620586E+04           4.000000E-06
      3.836274E+03           4.000000E-05
      1.246048E+03           2.260000E-04
      4.767535E+02           1.013000E-03
      2.021895E+02           3.575000E-03
      9.209487E+01           1.061200E-02
      4.414720E+01           2.390200E-02
      2.185468E+01           4.127900E-02
      1.108596E+01           4.147500E-02
      5.674108E+00          -9.458000E-03
      2.823170E+00          -1.236950E-01
      1.368621E+00          -1.743920E-01
      6.444310E-01          -1.291700E-01
      2.483820E-01           4.003480E-01
      9.725500E-02           6.696460E-01
Mn    P
      1.620586E+04           1.000000E-05
      3.836274E+03           8.100000E-05
      1.246048E+03           5.120000E-04
      4.767535E+02           2.071000E-03
      2.021895E+02           8.111000E-03
      9.209487E+01           2.155700E-02
      4.414720E+01           5.531600E-02
      2.185468E+01           8.026300E-02
      1.108596E+01           1.177300E-01
      5.674108E+00          -6.506900E-02
      2.823170E+00          -2.829140E-01
      1.368621E+00          -6.491660E-01
      6.444310E-01           6.925670E-01
      2.483820E-01           9.789900E-01
      9.725500E-02          -9.213570E-01
Mn    P
      3.663300E-02           1.000000E+00
Mn    P
      0.0138000              1.0000000
Mn    D
      1.006630E+02           3.579000E-03
      2.983360E+01           2.582700E-02
      1.088940E+01           9.855900E-02
      4.393580E+00           2.383270E-01
      1.817820E+00           3.587070E-01
      7.278270E-01           3.650920E-01
      2.712950E-01           2.337380E-01
Mn    D
      1.006630E+02          -3.454000E-03
      2.983360E+01          -2.492500E-02
      1.088940E+01          -9.763500E-02
      4.393580E+00          -2.366920E-01
      1.817820E+00          -2.923500E-01
      7.278270E-01          -4.973000E-03
      2.712950E-01           5.065880E-01
Mn    D
      1.006630E+02           5.685000E-03
      2.983360E+01           4.117100E-02
      1.088940E+01           1.693220E-01
      4.393580E+00           3.859120E-01
      1.817820E+00           1.869090E-01
      7.278270E-01          -6.781130E-01
      2.712950E-01          -2.582600E-01
Mn    D
      8.830900E-02           1.000000E+00
Mn    D
      0.0287500              1.0000000
Mn    F
      2.738200E+00           1.000000E+00
Mn    F
      6.543000E-01           1.000000E+00
Mn    F
      0.2226000              1.0000000
Mn    G
      1.733500E+00           1.0000000
Mn    G
      0.6321300              1.0000000
end
basis "Fe_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
Fe    S
      4.316265E+06           8.048803E-06
      6.463424E+05           6.258306E-05
      1.470897E+05           3.290239E-04
      4.166152E+04           1.387355E-03
      1.359077E+04           5.023256E-03
      4.905750E+03           1.610140E-02
      1.912746E+03           4.590034E-02
      7.926043E+02           1.136154E-01
      3.448065E+02           2.283869E-01
      1.558999E+02           3.221159E-01
      7.223091E+01           2.383661E-01
      3.272506E+01           7.404667E-02
      1.566762E+01           9.214197E-02
      7.503483E+00           9.339790E-02
      3.312223E+00           1.573965E-02
      1.558471E+00          -4.186682E-04
      6.839140E-01           5.376318E-05
      1.467570E-01          -3.816654E-05
      7.058300E-02           4.319603E-05
Fe    S
      4.316265E+06          -4.155954E-06
      6.463424E+05          -3.231401E-05
      1.470897E+05          -1.699525E-04
      4.166152E+04          -7.171369E-04
      1.359077E+04          -2.603625E-03
      4.905750E+03          -8.399109E-03
      1.912746E+03          -2.434109E-02
      7.926043E+02          -6.251948E-02
      3.448065E+02          -1.365929E-01
      1.558999E+02          -2.312707E-01
      7.223091E+01          -2.383734E-01
      3.272506E+01           3.123837E-02
      1.566762E+01           5.086818E-01
      7.503483E+00           4.987695E-01
      3.312223E+00           9.033552E-02
      1.558471E+00          -6.005337E-03
      6.839140E-01           2.312454E-04
      1.467570E-01          -5.643680E-04
      7.058300E-02           4.992260E-04
Fe    S
      4.316265E+06           9.532178E-07
      6.463424E+05           7.414605E-06
      1.470897E+05           3.898393E-05
      4.166152E+04           1.647152E-04
      1.359077E+04           5.985980E-04
      4.905750E+03           1.942390E-03
      1.912746E+03           5.687237E-03
      7.926043E+02           1.501329E-02
      3.448065E+02           3.452455E-02
      1.558999E+02           6.495820E-02
      7.223091E+01           7.716194E-02
      3.272506E+01          -1.873411E-02
      1.566762E+01          -3.009185E-01
      7.503483E+00          -4.554661E-01
      3.312223E+00           1.286463E-01
      1.558471E+00           7.183316E-01
      6.839140E-01           4.051743E-01
      1.467570E-01           2.168227E-02
      7.058300E-02          -8.343566E-03
Fe    S
      4.316265E+06          -2.063008E-07
      6.463424E+05          -1.604169E-06
      1.470897E+05          -8.438437E-06
      4.166152E+04          -3.563151E-05
      1.359077E+04          -1.295998E-04
      4.905750E+03          -4.201534E-04
      1.912746E+03          -1.231954E-03
      7.926043E+02          -3.248922E-03
      3.448065E+02          -7.493717E-03
      1.558999E+02          -1.410102E-02
      7.223091E+01          -1.691600E-02
      3.272506E+01           4.218996E-03
      1.566762E+01           6.833810E-02
      7.503483E+00           1.098201E-01
      3.312223E+00          -4.009005E-02
      1.558471E+00          -2.174739E-01
      6.839140E-01          -2.465135E-01
      1.467570E-01           2.731435E-01
      7.058300E-02           5.748321E-01
Fe    S
      4.316265E+06          -4.009367E-07
      6.463424E+05          -3.189255E-06
      1.470897E+05          -1.623079E-05
      4.166152E+04          -7.157920E-05
      1.359077E+04          -2.463958E-04
      4.905750E+03          -8.544907E-04
      1.912746E+03          -2.307593E-03
      7.926043E+02          -6.728292E-03
      3.448065E+02          -1.366165E-02
      1.558999E+02          -3.062240E-02
      7.223091E+01          -2.631137E-02
      3.272506E+01          -9.760183E-03
      1.566762E+01           1.801906E-01
      7.503483E+00           1.529634E-01
      3.312223E+00           5.505413E-02
      1.558471E+00          -9.551364E-01
      6.839140E-01           2.586813E-01
      1.467570E-01           1.834049E+00
      7.058300E-02          -9.333240E-01
Fe    S
      4.316265E+06          -6.966042E-07
      6.463424E+05          -5.568036E-06
      1.470897E+05          -2.813684E-05
      4.166152E+04          -1.252418E-04
      1.359077E+04          -4.260787E-04
      4.905750E+03          -1.499060E-03
      1.912746E+03          -3.979103E-03
      7.926043E+02          -1.185686E-02
      3.448065E+02          -2.346734E-02
      1.558999E+02          -5.467736E-02
      7.223091E+01          -4.393820E-02
      3.272506E+01          -2.376103E-02
      1.566762E+01           3.435928E-01
      7.503483E+00           3.192960E-01
      3.312223E+00          -1.343207E-01
      1.558471E+00          -2.221020E+00
      6.839140E-01           2.571142E+00
      1.467570E-01          -2.292404E-01
      7.058300E-02          -1.832452E+00
Fe    S
      3.144900E-02           1.000000E+00
Fe    S
      0.0140100              1.0000000
Fe    P
      1.774569E+04           4.100000E-05
      4.200721E+03           3.690000E-04
      1.364429E+03           2.129000E-03
      5.220806E+02           9.369000E-03
      2.214595E+02           3.309700E-02
      1.009096E+02           9.443100E-02
      4.840115E+01           2.080770E-01
      2.398536E+01           3.323330E-01
      1.218250E+01           3.329870E-01
      6.242298E+00           1.568430E-01
      3.110944E+00           2.154900E-02
      1.509958E+00          -2.095000E-03
      7.108450E-01          -1.739000E-03
      2.731900E-01          -3.000000E-04
      1.042330E-01           2.900000E-05
Fe    P
      1.774569E+04          -1.500000E-05
      4.200721E+03          -1.300000E-04
      1.364429E+03          -7.510000E-04
      5.220806E+02          -3.329000E-03
      2.214595E+02          -1.191200E-02
      1.009096E+02          -3.493300E-02
      4.840115E+01          -7.998900E-02
      2.398536E+01          -1.346360E-01
      1.218250E+01          -1.385980E-01
      6.242298E+00           3.027800E-02
      3.110944E+00           3.332160E-01
      1.509958E+00           4.561530E-01
      7.108450E-01           2.850510E-01
      2.731900E-01           4.614400E-02
      1.042330E-01          -3.249000E-03
Fe    P
      1.774569E+04           3.000000E-06
      4.200721E+03           2.900000E-05
      1.364429E+03           1.650000E-04
      5.220806E+02           7.340000E-04
      2.214595E+02           2.626000E-03
      1.009096E+02           7.725000E-03
      4.840115E+01           1.773300E-02
      2.398536E+01           3.005500E-02
      1.218250E+01           3.109400E-02
      6.242298E+00          -1.004800E-02
      3.110944E+00          -8.830600E-02
      1.509958E+00          -1.298240E-01
      7.108450E-01          -7.693700E-02
      2.731900E-01           2.126610E-01
      1.042330E-01           5.730610E-01
Fe    P
      1.774569E+04           5.000000E-06
      4.200721E+03           4.200000E-05
      1.364429E+03           2.410000E-04
      5.220806E+02           1.085000E-03
      2.214595E+02           3.831000E-03
      1.009096E+02           1.142300E-02
      4.840115E+01           2.579200E-02
      2.398536E+01           4.481800E-02
      1.218250E+01           4.459800E-02
      6.242298E+00          -1.117700E-02
      3.110944E+00          -1.381340E-01
      1.509958E+00          -1.882850E-01
      7.108450E-01          -1.073990E-01
      2.731900E-01           4.448630E-01
      1.042330E-01           6.402390E-01
Fe    P
      1.774569E+04           1.100000E-05
      4.200721E+03           8.700000E-05
      1.364429E+03           5.410000E-04
      5.220806E+02           2.226000E-03
      2.214595E+02           8.593000E-03
      1.009096E+02           2.333900E-02
      4.840115E+01           5.884400E-02
      2.398536E+01           8.828900E-02
      1.218250E+01           1.231920E-01
      6.242298E+00          -6.318600E-02
      3.110944E+00          -3.549020E-01
      1.509958E+00          -6.197080E-01
      7.108450E-01           8.129860E-01
      2.731900E-01           8.191180E-01
      1.042330E-01          -9.017050E-01
Fe    P
      3.829100E-02           1.000000E+00
Fe    P
      0.0140700              1.0000000
Fe    D
      1.133440E+02           3.530000E-03
      3.364140E+01           2.578400E-02
      1.233100E+01           9.911900E-02
      4.994780E+00           2.390730E-01
      2.072800E+00           3.571990E-01
      8.307530E-01           3.621880E-01
      3.091780E-01           2.364610E-01
Fe    D
      1.133440E+02          -3.890000E-03
      3.364140E+01          -2.844200E-02
      1.233100E+01          -1.124290E-01
      4.994780E+00          -2.742570E-01
      2.072800E+00          -3.155460E-01
      8.307530E-01           5.710900E-02
      3.091780E-01           5.636040E-01
Fe    D
      1.133440E+02           5.695000E-03
      3.364140E+01           4.200100E-02
      1.233100E+01           1.735400E-01
      4.994780E+00           4.101570E-01
      2.072800E+00           1.132520E-01
      8.307530E-01          -7.696800E-01
      3.091780E-01          -3.164300E-02
Fe    D
      1.001300E-01           1.000000E+00
Fe    D
      0.0324300              1.0000000
Fe    F
      3.275800E+00           1.000000E+00
Fe    F
      7.920000E-01           1.000000E+00
Fe    F
      0.2749000              1.0000000
Fe    G
      2.089700E+00           1.0000000
Fe    G
      0.7871600              1.0000000
end
basis "Co_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
Co    S
      4.675675E+06           7.979026E-06
      7.001615E+05           6.204071E-05
      1.593373E+05           3.261735E-04
      4.513046E+04           1.375360E-03
      1.472238E+04           4.979997E-03
      5.314222E+03           1.596434E-02
      2.072018E+03           4.552086E-02
      8.586188E+02           1.127385E-01
      3.735497E+02           2.268262E-01
      1.689229E+02           3.203074E-01
      7.829639E+01           2.374021E-01
      3.552123E+01           7.477686E-02
      1.704144E+01           9.581872E-02
      8.173000E+00           9.649911E-02
      3.610318E+00           1.623362E-02
      1.697047E+00          -4.535497E-04
      7.435320E-01           5.113519E-05
      1.583440E-01          -4.174508E-05
      7.503600E-02           4.027577E-05
Co    S
      4.675675E+06          -4.200240E-06
      7.001615E+05          -3.265831E-05
      1.593373E+05          -1.717644E-04
      4.513046E+04          -7.247853E-04
      1.472238E+04          -2.631462E-03
      5.314222E+03          -8.489272E-03
      2.072018E+03          -2.460619E-02
      8.586188E+02          -6.322059E-02
      3.735497E+02          -1.381957E-01
      1.689229E+02          -2.340680E-01
      7.829639E+01          -2.415002E-01
      3.552123E+01           3.035312E-02
      1.704144E+01           5.101341E-01
      8.173000E+00           4.974939E-01
      3.610318E+00           8.970746E-02
      1.697047E+00          -5.941034E-03
      7.435320E-01           2.175362E-04
      1.583440E-01          -5.480155E-04
      7.503600E-02           4.525804E-04
Co    S
      4.675675E+06           9.592692E-07
      7.001615E+05           7.461851E-06
      1.593373E+05           3.923137E-05
      4.513046E+04           1.657706E-04
      1.472238E+04           6.024335E-04
      5.314222E+03           1.955217E-03
      2.072018E+03           5.726326E-03
      8.586188E+02           1.512984E-02
      3.735497E+02           3.483973E-02
      1.689229E+02           6.570351E-02
      7.829639E+01           7.831503E-02
      3.552123E+01          -1.877037E-02
      1.704144E+01          -3.062663E-01
      8.173000E+00          -4.566429E-01
      3.610318E+00           1.378169E-01
      1.697047E+00           7.193676E-01
      7.435320E-01           3.992579E-01
      1.583440E-01           2.079933E-02
      7.503600E-02          -7.820663E-03
Co    S
      4.675675E+06          -2.028840E-07
      7.001615E+05          -1.577580E-06
      1.593373E+05          -8.298813E-06
      4.513046E+04          -3.504154E-05
      1.472238E+04          -1.274655E-04
      5.314222E+03          -4.132695E-04
      2.072018E+03          -1.212261E-03
      8.586188E+02          -3.199318E-03
      3.735497E+02          -7.390972E-03
      1.689229E+02          -1.393649E-02
      7.829639E+01          -1.678575E-02
      3.552123E+01           4.149856E-03
      1.704144E+01           6.797646E-02
      8.173000E+00           1.075807E-01
      3.610318E+00          -4.166022E-02
      1.697047E+00          -2.128044E-01
      7.435320E-01          -2.381360E-01
      1.583440E-01           2.650788E-01
      7.503600E-02           5.722774E-01
Co    S
      4.675675E+06          -3.863053E-07
      7.001615E+05          -3.068788E-06
      1.593373E+05          -1.564826E-05
      4.513046E+04          -6.883588E-05
      1.472238E+04          -2.377367E-04
      5.314222E+03          -8.213173E-04
      2.072018E+03          -2.229630E-03
      8.586188E+02          -6.467841E-03
      3.735497E+02          -1.325463E-02
      1.689229E+02          -2.946686E-02
      7.829639E+01          -2.599066E-02
      3.552123E+01          -8.499807E-03
      1.704144E+01           1.727316E-01
      8.173000E+00           1.512189E-01
      3.610318E+00           3.554509E-02
      1.697047E+00          -8.829353E-01
      7.435320E-01           2.143530E-01
      1.583440E-01           1.711865E+00
      7.503600E-02          -7.140037E-01
Co    S
      4.675675E+06          -7.174687E-07
      7.001615E+05          -5.722157E-06
      1.593373E+05          -2.900970E-05
      4.513046E+04          -1.285845E-04
      1.472238E+04          -4.398434E-04
      5.314222E+03          -1.537586E-03
      2.072018E+03          -4.116022E-03
      8.586188E+02          -1.215514E-02
      3.735497E+02          -2.440441E-02
      1.689229E+02          -5.601976E-02
      7.829639E+01          -4.689449E-02
      3.552123E+01          -2.168828E-02
      1.704144E+01           3.477789E-01
      8.173000E+00           3.500597E-01
      3.610318E+00          -2.048551E-01
      1.697047E+00          -2.163211E+00
      7.435320E-01           2.524091E+00
      1.583440E-01          -1.590011E-01
      7.503600E-02          -1.825267E+00
Co    S
      3.309100E-02           1.000000E+00
Co    S
      0.0145900              1.0000000
Co    P
      1.926778E+04           4.100000E-05
      4.560986E+03           3.690000E-04
      1.481436E+03           2.128000E-03
      5.668671E+02           9.372000E-03
      2.404910E+02           3.315500E-02
      1.096105E+02           9.475200E-02
      5.259491E+01           2.090930E-01
      2.608361E+01           3.337220E-01
      1.326143E+01           3.322080E-01
      6.799778E+00           1.546130E-01
      3.393414E+00           2.090200E-02
      1.648766E+00          -2.024000E-03
      7.762820E-01          -1.697000E-03
      2.980030E-01          -2.800000E-04
      1.136180E-01           2.600000E-05
Co    P
      1.926778E+04          -1.500000E-05
      4.560986E+03          -1.310000E-04
      1.481436E+03          -7.580000E-04
      5.668671E+02          -3.363000E-03
      2.404910E+02          -1.205400E-02
      1.096105E+02          -3.542400E-02
      5.259491E+01          -8.128700E-02
      2.608361E+01          -1.369080E-01
      1.326143E+01          -1.390190E-01
      6.799778E+00           3.546800E-02
      3.393414E+00           3.384980E-01
      1.648766E+00           4.544330E-01
      7.762820E-01           2.797930E-01
      2.980030E-01           4.477600E-02
      1.136180E-01          -3.151000E-03
Co    P
      1.926778E+04          -3.000000E-06
      4.560986E+03          -2.900000E-05
      1.481436E+03          -1.670000E-04
      5.668671E+02          -7.420000E-04
      2.404910E+02          -2.662000E-03
      1.096105E+02          -7.841000E-03
      5.259491E+01          -1.805100E-02
      2.608361E+01          -3.058000E-02
      1.326143E+01          -3.131200E-02
      6.799778E+00           1.131100E-02
      3.393414E+00           8.999000E-02
      1.648766E+00           1.307330E-01
      7.762820E-01           7.180800E-02
      2.980030E-01          -2.216580E-01
      1.136180E-01          -5.710250E-01
Co    P
      1.926778E+04           5.000000E-06
      4.560986E+03           4.500000E-05
      1.481436E+03           2.550000E-04
      5.668671E+02           1.144000E-03
      2.404910E+02           4.061000E-03
      1.096105E+02           1.209500E-02
      5.259491E+01           2.747600E-02
      2.608361E+01           4.755700E-02
      1.326143E+01           4.730200E-02
      6.799778E+00          -1.441800E-02
      3.393414E+00          -1.500620E-01
      1.648766E+00          -1.990920E-01
      7.762820E-01          -7.978300E-02
      2.980030E-01           4.590350E-01
      1.136180E-01           6.174950E-01
Co    P
      1.926778E+04           1.100000E-05
      4.560986E+03           9.200000E-05
      1.481436E+03           5.630000E-04
      5.668671E+02           2.354000E-03
      2.404910E+02           8.976000E-03
      1.096105E+02           2.481000E-02
      5.259491E+01           6.158000E-02
      2.608361E+01           9.477700E-02
      1.326143E+01           1.266930E-01
      6.799778E+00          -6.375400E-02
      3.393414E+00          -4.185660E-01
      1.648766E+00          -5.678650E-01
      7.762820E-01           8.754060E-01
      2.980030E-01           7.182630E-01
      1.136180E-01          -8.747220E-01
Co    P
      4.162400E-02           1.000000E+00
Co    P
      0.0152500              1.0000000
Co    D
      1.262640E+02           3.510000E-03
      3.752260E+01           2.588400E-02
      1.380210E+01           1.000580E-01
      5.609270E+00           2.405470E-01
      2.333690E+00           3.568430E-01
      9.364150E-01           3.595790E-01
      3.482370E-01           2.366290E-01
Co    D
      1.262640E+02          -4.067000E-03
      3.752260E+01          -3.005300E-02
      1.380210E+01          -1.196200E-01
      5.609270E+00          -2.915130E-01
      2.333690E+00          -3.180480E-01
      9.364150E-01           9.169800E-02
      3.482370E-01           5.608230E-01
Co    D
      1.262640E+02           5.470000E-03
      3.752260E+01           4.081300E-02
      1.380210E+01           1.689780E-01
      5.609270E+00           4.093590E-01
      2.333690E+00           8.631600E-02
      9.364150E-01          -7.690080E-01
      3.482370E-01           3.355000E-03
Co    D
      1.123530E-01           1.000000E+00
Co    D
      0.0362500              1.0000000
Co    F
      3.813700E+00           1.000000E+00
Co    F
      9.309000E-01           1.000000E+00
Co    F
      0.3271500              1.0000000
Co    G
      2.470900E+00           1.0000000
Co    G
      0.9581400              1.0000000
end
basis "Ni_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
Ni    S
      5.045991E+06           8.208996E-06
      7.556142E+05           6.382884E-05
      1.719568E+05           3.355800E-04
      4.870479E+04           1.415075E-03
      1.588841E+04           5.124444E-03
      5.735123E+03           1.643256E-02
      2.236137E+03           4.689398E-02
      9.266468E+02           1.163534E-01
      4.031743E+02           2.350511E-01
      1.823476E+02           3.350184E-01
      8.454885E+01           2.534779E-01
      3.839634E+01           7.300901E-02
      1.845859E+01           6.184244E-02
      8.863548E+00           6.302956E-02
      3.916227E+00           1.008063E-02
      1.838870E+00          -2.244528E-04
      8.043620E-01          -5.932767E-05
      1.697970E-01          -1.158562E-05
      7.930600E-02           8.115109E-06
Ni    S
      5.045991E+06          -3.657849E-06
      7.556142E+05          -2.844094E-05
      1.719568E+05          -1.495928E-04
      4.870479E+04          -6.313009E-04
      1.588841E+04          -2.293052E-03
      5.735123E+03          -7.405123E-03
      2.236137E+03          -2.152032E-02
      9.266468E+02          -5.560974E-02
      4.031743E+02          -1.230176E-01
      1.823476E+02          -2.130104E-01
      8.454885E+01          -2.265837E-01
      3.839634E+01           3.546796E-02
      1.845859E+01           5.181697E-01
      8.863548E+00           5.025630E-01
      3.916227E+00           8.955674E-02
      1.838870E+00          -7.031311E-03
      8.043620E-01          -4.339167E-04
      1.697970E-01          -5.831711E-04
      7.930600E-02           4.228788E-04
Ni    S
      5.045991E+06           9.594149E-07
      7.556142E+05           7.462614E-06
      1.719568E+05           3.923843E-05
      4.870479E+04           1.657868E-04
      1.588841E+04           6.025905E-04
      5.735123E+03           1.955662E-03
      2.236137E+03           5.730391E-03
      9.266468E+02           1.514756E-02
      4.031743E+02           3.493499E-02
      1.823476E+02           6.598072E-02
      8.454885E+01           7.893083E-02
      3.839634E+01          -1.906249E-02
      1.845859E+01          -3.095921E-01
      8.863548E+00          -4.558610E-01
      3.916227E+00           1.482931E-01
      1.838870E+00           7.134039E-01
      8.043620E-01           3.976063E-01
      1.697970E-01           2.295523E-02
      7.930600E-02          -9.151758E-03
Ni    S
      5.045991E+06          -2.013753E-07
      7.556142E+05          -1.565832E-06
      1.719568E+05          -8.237182E-06
      4.870479E+04          -3.478105E-05
      1.588841E+04          -1.265265E-04
      5.735123E+03          -4.102589E-04
      2.236137E+03          -1.203834E-03
      9.266468E+02          -3.179062E-03
      4.031743E+02          -7.353828E-03
      1.823476E+02          -1.389022E-02
      8.454885E+01          -1.677875E-02
      3.839634E+01           4.163378E-03
      1.845859E+01           6.814703E-02
      8.863548E+00           1.061029E-01
      3.916227E+00          -4.339980E-02
      1.838870E+00          -2.094950E-01
      8.043620E-01          -2.310271E-01
      1.697970E-01           2.590532E-01
      7.930600E-02           5.691426E-01
Ni    S
      5.045991E+06          -3.924245E-07
      7.556142E+05          -3.113909E-06
      1.719568E+05          -1.590447E-05
      4.870479E+04          -6.981394E-05
      1.588841E+04          -2.417848E-04
      5.735123E+03          -8.326195E-04
      2.236137E+03          -2.270294E-03
      9.266468E+02          -6.557427E-03
      4.031743E+02          -1.354288E-02
      1.823476E+02          -2.989768E-02
      8.454885E+01          -2.693106E-02
      3.839634E+01          -7.827693E-03
      1.845859E+01           1.741667E-01
      8.863548E+00           1.595468E-01
      3.916227E+00           1.995550E-02
      1.838870E+00          -8.897000E-01
      8.043620E-01           2.486892E-01
      1.697970E-01           1.613012E+00
      7.930600E-02          -5.990277E-01
Ni    S
      5.045991E+06          -7.303633E-07
      7.556142E+05          -5.802013E-06
      1.719568E+05          -2.958547E-05
      4.870479E+04          -1.301499E-04
      1.588841E+04          -4.495332E-04
      5.735123E+03          -1.553314E-03
      2.236137E+03          -4.219884E-03
      9.266468E+02          -1.225419E-02
      4.031743E+02          -2.519707E-02
      1.823476E+02          -5.621717E-02
      8.454885E+01          -5.022229E-02
      3.839634E+01          -1.677412E-02
      1.845859E+01           3.388021E-01
      8.863548E+00           3.984975E-01
      3.916227E+00          -3.032053E-01
      1.838870E+00          -2.079619E+00
      8.043620E-01           2.500542E+00
      1.697970E-01          -2.169002E-01
      7.930600E-02          -1.709178E+00
Ni    S
      3.467700E-02           1.000000E+00
Ni    S
      0.0151600              1.0000000
Ni    P
      2.102792E+04           4.100000E-05
      4.977560E+03           3.630000E-04
      1.616740E+03           2.097000E-03
      6.186718E+02           9.250000E-03
      2.625183E+02           3.279600E-02
      1.196907E+02           9.400400E-02
      5.746585E+01           2.082800E-01
      2.852829E+01           3.336540E-01
      1.452148E+01           3.329040E-01
      7.453850E+00           1.553720E-01
      3.723553E+00           2.085900E-02
      1.809813E+00          -2.440000E-03
      8.513360E-01          -1.998000E-03
      3.248140E-01          -3.380000E-04
      1.195220E-01           3.500000E-05
Ni    P
      2.102792E+04          -1.500000E-05
      4.977560E+03          -1.290000E-04
      1.616740E+03          -7.490000E-04
      6.186718E+02          -3.328000E-03
      2.625183E+02          -1.194700E-02
      1.196907E+02          -3.524200E-02
      5.746585E+01          -8.120400E-02
      2.852829E+01          -1.374930E-01
      1.452148E+01          -1.392260E-01
      7.453850E+00           3.601600E-02
      3.723553E+00           3.391280E-01
      1.809813E+00           4.504720E-01
      8.513360E-01           2.817830E-01
      3.248140E-01           4.789800E-02
      1.195220E-01          -2.987000E-03
Ni    P
      2.102792E+04           3.000000E-06
      4.977560E+03           2.600000E-05
      1.616740E+03           1.520000E-04
      6.186718E+02           6.780000E-04
      2.625183E+02           2.427000E-03
      1.196907E+02           7.201000E-03
      5.746585E+01           1.657800E-02
      2.852829E+01           2.839200E-02
      1.452148E+01           2.859900E-02
      7.453850E+00          -1.013200E-02
      3.723553E+00          -8.291200E-02
      1.809813E+00          -1.159980E-01
      8.513360E-01          -7.279500E-02
      3.248140E-01           1.956400E-01
      1.195220E-01           5.670990E-01
Ni    P
      2.102792E+04           6.000000E-06
      4.977560E+03           5.300000E-05
      1.616740E+03           3.050000E-04
      6.186718E+02           1.364000E-03
      2.625183E+02           4.876000E-03
      1.196907E+02           1.450300E-02
      5.746585E+01           3.329600E-02
      2.852829E+01           5.748200E-02
      1.452148E+01           5.870200E-02
      7.453850E+00          -1.990400E-02
      3.723553E+00          -1.946950E-01
      1.809813E+00          -2.396130E-01
      8.513360E-01          -2.232000E-03
      3.248140E-01           5.214350E-01
      1.195220E-01           5.455400E-01
Ni    P
      2.102792E+04           1.100000E-05
      4.977560E+03           9.500000E-05
      1.616740E+03           5.800000E-04
      6.186718E+02           2.451000E-03
      2.625183E+02           9.282000E-03
      1.196907E+02           2.600900E-02
      5.746585E+01           6.409600E-02
      2.852829E+01           1.007100E-01
      1.452148E+01           1.325390E-01
      7.453850E+00          -6.508900E-02
      3.723553E+00          -4.897560E-01
      1.809813E+00          -4.984550E-01
      8.513360E-01           9.663570E-01
      3.248140E-01           5.283790E-01
      1.195220E-01          -8.676760E-01
Ni    P
      4.236600E-02           1.000000E+00
Ni    P
      0.0150200              1.0000000
Ni    D
      1.402527E+02           3.376000E-03
      4.172610E+01           2.514100E-02
      1.539810E+01           9.774600E-02
      6.277100E+00           2.347090E-01
      2.618500E+00           3.469450E-01
      1.052600E+00           3.510680E-01
      3.916000E-01           2.502550E-01
Ni    D
      1.402527E+02          -3.495000E-03
      4.172610E+01          -2.601500E-02
      1.539810E+01          -1.038760E-01
      6.277100E+00          -2.520700E-01
      2.618500E+00          -2.945800E-01
      1.052600E+00           1.152000E-03
      3.916000E-01           4.385890E-01
Ni    D
      1.402527E+02           5.052000E-03
      4.172610E+01           3.808700E-02
      1.539810E+01           1.561130E-01
      6.277100E+00           3.861560E-01
      2.618500E+00           1.756050E-01
      1.052600E+00          -6.268070E-01
      3.916000E-01          -3.427750E-01
Ni    D
      1.262000E-01           1.000000E+00
Ni    D
      0.0406700              1.0000000
Ni    F
      4.504600E+00           1.000000E+00
Ni    F
      1.128600E+00           1.000000E+00
Ni    F
      0.4083000              1.0000000
Ni    G
      2.977100E+00           1.0000000
Ni    G
      1.2048500              1.0000000
end
basis "Cu_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
Cu    S
      5.430321E+06           7.801026E-06
      8.131665E+05           6.065666E-05
      1.850544E+05           3.188964E-04
      5.241466E+04           1.344687E-03
      1.709868E+04           4.869050E-03
      6.171994E+03           1.561013E-02
      2.406481E+03           4.452077E-02
      9.972584E+02           1.103111E-01
      4.339289E+02           2.220342E-01
      1.962869E+02           3.133739E-01
      9.104280E+01           2.315121E-01
      4.138425E+01           7.640920E-02
      1.993278E+01           1.103818E-01
      9.581891E+00           1.094372E-01
      4.234516E+00           1.836311E-02
      1.985814E+00          -6.043084E-04
      8.670830E-01           5.092245E-05
      1.813390E-01          -5.540730E-05
      8.365700E-02           3.969482E-05
Cu    S
      5.430321E+06          -4.404706E-06
      8.131665E+05          -3.424801E-05
      1.850544E+05          -1.801238E-04
      5.241466E+04          -7.600455E-04
      1.709868E+04          -2.759348E-03
      6.171994E+03          -8.900970E-03
      2.406481E+03          -2.579378E-02
      9.972584E+02          -6.623861E-02
      4.339289E+02          -1.445927E-01
      1.962869E+02          -2.440110E-01
      9.104280E+01          -2.504837E-01
      4.138425E+01           2.852577E-02
      1.993278E+01           5.115874E-01
      9.581891E+00           4.928061E-01
      4.234516E+00           8.788437E-02
      1.985814E+00          -5.820281E-03
      8.670830E-01           2.013508E-04
      1.813390E-01          -5.182553E-04
      8.365700E-02           3.731503E-04
Cu    S
      5.430321E+06           9.704682E-07
      8.131665E+05           7.549245E-06
      1.850544E+05           3.968892E-05
      5.241466E+04           1.677200E-04
      1.709868E+04           6.095101E-04
      6.171994E+03           1.978846E-03
      2.406481E+03           5.798049E-03
      9.972584E+02           1.534158E-02
      4.339289E+02           3.540484E-02
      1.962869E+02           6.702098E-02
      9.104280E+01           8.026945E-02
      4.138425E+01          -1.927231E-02
      1.993278E+01          -3.160129E-01
      9.581891E+00          -4.573162E-01
      4.234516E+00           1.550841E-01
      1.985814E+00           7.202872E-01
      8.670830E-01           3.885122E-01
      1.813390E-01           1.924326E-02
      8.365700E-02          -7.103807E-03
Cu    S
      5.430321E+06          -1.959354E-07
      8.131665E+05          -1.523472E-06
      1.850544E+05          -8.014808E-06
      5.241466E+04          -3.383992E-05
      1.709868E+04          -1.231191E-04
      6.171994E+03          -3.992085E-04
      2.406481E+03          -1.171900E-03
      9.972584E+02          -3.096141E-03
      4.339289E+02          -7.171993E-03
      1.962869E+02          -1.356621E-02
      9.104280E+01          -1.643989E-02
      4.138425E+01           4.107628E-03
      1.993278E+01           6.693964E-02
      9.581891E+00           1.028221E-01
      4.234516E+00          -4.422945E-02
      1.985814E+00          -2.031191E-01
      8.670830E-01          -2.230022E-01
      1.813390E-01           2.517975E-01
      8.365700E-02           5.650091E-01
Cu    S
      5.430321E+06          -3.532229E-07
      8.131665E+05          -2.798812E-06
      1.850544E+05          -1.432517E-05
      5.241466E+04          -6.270946E-05
      1.709868E+04          -2.179490E-04
      6.171994E+03          -7.474316E-04
      2.406481E+03          -2.049271E-03
      9.972584E+02          -5.885203E-03
      4.339289E+02          -1.226885E-02
      1.962869E+02          -2.683147E-02
      9.104280E+01          -2.479261E-02
      4.138425E+01          -5.984746E-03
      1.993278E+01           1.557124E-01
      9.581891E+00           1.436683E-01
      4.234516E+00           8.374103E-03
      1.985814E+00          -7.460711E-01
      8.670830E-01           1.244367E-01
      1.813390E-01           1.510110E+00
      8.365700E-02          -3.477122E-01
Cu    S
      5.430321E+06          -7.508267E-07
      8.131665E+05          -5.972018E-06
      1.850544E+05          -3.039682E-05
      5.241466E+04          -1.340405E-04
      1.709868E+04          -4.615778E-04
      6.171994E+03          -1.601064E-03
      2.406481E+03          -4.330942E-03
      9.972584E+02          -1.265434E-02
      4.339289E+02          -2.586864E-02
      1.962869E+02          -5.835428E-02
      9.104280E+01          -5.132322E-02
      4.138425E+01          -1.908953E-02
      1.993278E+01           3.586116E-01
      9.581891E+00           3.885818E-01
      4.234516E+00          -3.057106E-01
      1.985814E+00          -2.069896E+00
      8.670830E-01           2.431774E+00
      1.813390E-01          -2.121974E-02
      8.365700E-02          -1.820251E+00
Cu    S
      3.626700E-02           1.000000E+00
Cu    S
      0.0157200              1.0000000
Cu    P
      2.276057E+04           4.000000E-05
      5.387679E+03           3.610000E-04
      1.749945E+03           2.083000E-03
      6.696653E+02           9.197000E-03
      2.841948E+02           3.266000E-02
      1.296077E+02           9.379500E-02
      6.225415E+01           2.082740E-01
      3.092964E+01           3.339930E-01
      1.575827E+01           3.324930E-01
      8.094211E+00           1.547280E-01
      4.046921E+00           2.127100E-02
      1.967869E+00          -1.690000E-03
      9.252950E-01          -1.516000E-03
      3.529920E-01          -2.420000E-04
      1.273070E-01           2.300000E-05
Cu    P
      2.276057E+04          -1.500000E-05
      5.387679E+03          -1.310000E-04
      1.749945E+03          -7.550000E-04
      6.696653E+02          -3.359000E-03
      2.841948E+02          -1.208100E-02
      1.296077E+02          -3.570300E-02
      6.225415E+01          -8.250200E-02
      3.092964E+01          -1.398900E-01
      1.575827E+01          -1.407290E-01
      8.094211E+00           3.876600E-02
      4.046921E+00           3.426950E-01
      1.967869E+00           4.523100E-01
      9.252950E-01           2.770540E-01
      3.529920E-01           4.388500E-02
      1.273070E-01          -2.802000E-03
Cu    P
      2.276057E+04           3.000000E-06
      5.387679E+03           2.500000E-05
      1.749945E+03           1.470000E-04
      6.696653E+02           6.560000E-04
      2.841948E+02           2.351000E-03
      1.296077E+02           7.004000E-03
      6.225415E+01           1.613100E-02
      3.092964E+01           2.777000E-02
      1.575827E+01           2.756700E-02
      8.094211E+00          -1.011500E-02
      4.046921E+00          -8.100900E-02
      1.967869E+00          -1.104090E-01
      9.252950E-01          -7.173200E-02
      3.529920E-01           1.879300E-01
      1.273070E-01           5.646290E-01
Cu    P
      2.276057E+04           5.000000E-06
      5.387679E+03           4.900000E-05
      1.749945E+03           2.780000E-04
      6.696653E+02           1.253000E-03
      2.841948E+02           4.447000E-03
      1.296077E+02           1.337000E-02
      6.225415E+01           3.046900E-02
      3.092964E+01           5.344700E-02
      1.575827E+01           5.263900E-02
      8.094211E+00          -1.688100E-02
      4.046921E+00          -1.794480E-01
      1.967869E+00          -2.095880E-01
      9.252950E-01          -3.963300E-02
      3.529920E-01           5.021300E-01
      1.273070E-01           5.811110E-01
Cu    P
      2.276057E+04           1.100000E-05
      5.387679E+03           9.600000E-05
      1.749945E+03           5.900000E-04
      6.696653E+02           2.484000E-03
      2.841948E+02           9.463000E-03
      1.296077E+02           2.645300E-02
      6.225415E+01           6.568900E-02
      3.092964E+01           1.027320E-01
      1.575827E+01           1.370410E-01
      8.094211E+00          -7.096100E-02
      4.046921E+00          -5.047080E-01
      1.967869E+00          -4.780560E-01
      9.252950E-01           9.428920E-01
      3.529920E-01           5.446990E-01
      1.273070E-01          -8.327660E-01
Cu    P
      4.435600E-02           1.000000E+00
Cu    P
      0.0154500              1.0000000
Cu    D
      1.738970E+02           2.700000E-03
      5.188690E+01           2.090900E-02
      1.934190E+01           8.440800E-02
      7.975720E+00           2.139990E-01
      3.398230E+00           3.359800E-01
      1.409320E+00           3.573010E-01
      5.488580E-01           2.645780E-01
Cu    D
      1.738970E+02          -3.363000E-03
      5.188690E+01          -2.607900E-02
      1.934190E+01          -1.082310E-01
      7.975720E+00          -2.822170E-01
      3.398230E+00          -3.471900E-01
      1.409320E+00           2.671100E-02
      5.488580E-01           4.920470E-01
Cu    D
      1.738970E+02           4.133000E-03
      5.188690E+01           3.308500E-02
      1.934190E+01           1.383360E-01
      7.975720E+00           3.901660E-01
      3.398230E+00           1.698420E-01
      1.409320E+00          -6.830180E-01
      5.488580E-01          -2.657970E-01
Cu    D
      1.901990E-01           1.000000E+00
Cu    D
      0.0659100              1.0000000
Cu    F
      5.082100E+00           1.000000E+00
Cu    F
      1.279700E+00           1.000000E+00
Cu    F
      0.4617200              1.0000000
Cu    G
      3.483500E+00           1.0000000
Cu    G
      1.4597900              1.0000000
end
basis "Zn_aug-cc-pvtz" 
#basis SET: (116s,77p,23d,3f,2g) -> [8s,7p,5d,3f,2g]
Zn    S
      5.820021E+06           8.549241E-06
      8.715234E+05           6.647410E-05
      1.983350E+05           3.494962E-04
      5.617631E+04           1.473832E-03
      1.832582E+04           5.338330E-03
      6.614955E+03           1.712708E-02
      2.579199E+03           4.894085E-02
      1.068849E+03           1.217934E-01
      4.651045E+02           2.476589E-01
      2.104130E+02           3.582431E-01
      9.761629E+01           2.798174E-01
      4.438020E+01           6.857491E-02
      2.142308E+01          -1.311092E-03
      1.030891E+01           1.914001E-03
      4.553645E+00          -8.759220E-04
      2.132821E+00           3.740096E-04
      9.296970E-01          -1.401399E-04
      1.921470E-01           4.757132E-05
      8.759500E-02          -3.642711E-05
Zn    S
      5.820021E+06          -2.640069E-06
      8.715234E+05          -2.052720E-05
      1.983350E+05          -1.079859E-04
      5.617631E+04          -4.558577E-04
      1.832582E+04          -1.657758E-03
      6.614955E+03          -5.368492E-03
      2.579199E+03          -1.571249E-02
      1.068849E+03          -4.122558E-02
      4.651045E+02          -9.406459E-02
      2.104130E+02          -1.719954E-01
      9.761629E+01          -1.958523E-01
      4.438020E+01           4.532907E-02
      2.142308E+01           5.244442E-01
      1.030891E+01           5.006142E-01
      4.553645E+00           8.945527E-02
      2.132821E+00          -2.146262E-03
      9.296970E-01           2.112113E-03
      1.921470E-01          -4.133980E-04
      8.759500E-02           3.209752E-04
Zn    S
      5.820021E+06           9.967103E-07
      8.715234E+05           7.754163E-06
      1.983350E+05           4.076019E-05
      5.617631E+04           1.722811E-04
      1.832582E+04           6.259370E-04
      6.614955E+03           2.032855E-03
      2.579199E+03           5.954646E-03
      1.068849E+03           1.576640E-02
      4.651045E+02           3.637638E-02
      2.104130E+02           6.892343E-02
      9.761629E+01           8.238093E-02
      4.438020E+01          -2.011360E-02
      2.142308E+01          -3.252526E-01
      1.030891E+01          -4.602899E-01
      4.553645E+00           1.635546E-01
      2.132821E+00           7.297118E-01
      9.296970E-01           3.769751E-01
      1.921470E-01           1.433224E-02
      8.759500E-02          -6.671210E-03
Zn    S
      5.820021E+06           1.995818E-07
      8.715234E+05           1.552973E-06
      1.983350E+05           8.161259E-06
      5.617631E+04           3.450747E-05
      1.832582E+04           1.253275E-04
      6.614955E+03           4.072990E-04
      2.579199E+03           1.192734E-03
      1.068849E+03           3.163140E-03
      4.651045E+02           7.303942E-03
      2.104130E+02           1.391279E-02
      9.761629E+01           1.670620E-02
      4.438020E+01          -4.035586E-03
      2.142308E+01          -6.968861E-02
      1.030891E+01          -1.030105E-01
      4.553645E+00           4.471442E-02
      2.132821E+00           2.150027E-01
      9.296970E-01           2.220163E-01
      1.921470E-01          -3.114776E-01
      8.759500E-02          -5.693429E-01
Zn    S
      5.820021E+06          -5.435910E-07
      8.715234E+05          -4.336894E-06
      1.983350E+05          -2.197572E-05
      5.617631E+04          -9.747392E-05
      1.832582E+04          -3.331615E-04
      6.614955E+03          -1.166192E-03
      2.579199E+03          -3.119308E-03
      1.068849E+03          -9.239504E-03
      4.651045E+02          -1.855471E-02
      2.104130E+02          -4.281189E-02
      9.761629E+01          -3.571095E-02
      4.438020E+01          -1.638350E-02
      2.142308E+01           2.644664E-01
      1.030891E+01           2.086588E-01
      4.553645E+00          -1.774382E-02
      2.132821E+00          -1.353873E+00
      9.296970E-01           8.182926E-01
      1.921470E-01           1.695036E+00
      8.759500E-02          -1.388656E+00
Zn    S
      5.820021E+06           8.040791E-07
      8.715234E+05           6.282936E-06
      1.983350E+05           3.281868E-05
      5.617631E+04           1.398858E-04
      1.832582E+04           5.029836E-04
      6.614955E+03           1.655419E-03
      2.579199E+03           4.778677E-03
      1.068849E+03           1.292479E-02
      4.651045E+02           2.925831E-02
      2.104130E+02           5.791816E-02
      9.761629E+01           6.640681E-02
      4.438020E+01          -7.388966E-03
      2.142308E+01          -3.329989E-01
      1.030891E+01          -5.917865E-01
      4.553645E+00           9.011406E-01
      2.132821E+00           1.585951E+00
      9.296970E-01          -2.788008E+00
      1.921470E-01           2.071884E+00
      8.759500E-02          -6.012025E-01
Zn    S
      3.770200E-02           1.000000E+00
Zn    S
      0.0162300              1.0000000
Zn    P
      2.441198E+04           4.100000E-05
      5.778518E+03           3.610000E-04
      1.876862E+03           2.088000E-03
      7.182361E+02           9.221000E-03
      3.048327E+02           3.277300E-02
      1.390453E+02           9.417900E-02
      6.680417E+01           2.091320E-01
      3.320699E+01           3.345690E-01
      1.692816E+01           3.303590E-01
      8.696229E+00           1.523470E-01
      4.350510E+00           2.298400E-02
      2.116523E+00           1.607000E-03
      9.953870E-01           4.680000E-04
      3.781120E-01           6.600000E-05
      1.345790E-01          -2.000000E-06
Zn    P
      2.441198E+04          -1.500000E-05
      5.778518E+03          -1.350000E-04
      1.876862E+03          -7.820000E-04
      7.182361E+02          -3.478000E-03
      3.048327E+02          -1.252000E-02
      1.390453E+02          -3.701600E-02
      6.680417E+01          -8.555900E-02
      3.320699E+01          -1.447180E-01
      1.692816E+01          -1.434420E-01
      8.696229E+00           4.359500E-02
      4.350510E+00           3.488880E-01
      2.116523E+00           4.538650E-01
      9.953870E-01           2.685940E-01
      3.781120E-01           3.886800E-02
      1.345790E-01          -2.492000E-03
Zn    P
      2.441198E+04           3.000000E-06
      5.778518E+03           2.500000E-05
      1.876862E+03           1.440000E-04
      7.182361E+02           6.450000E-04
      3.048327E+02           2.311000E-03
      1.390453E+02           6.898000E-03
      6.680417E+01           1.588200E-02
      3.320699E+01           2.735000E-02
      1.692816E+01           2.662100E-02
      8.696229E+00          -1.085800E-02
      4.350510E+00          -7.985300E-02
      2.116523E+00          -1.061270E-01
      9.953870E-01          -6.888300E-02
      3.781120E-01           1.843850E-01
      1.345790E-01           5.617880E-01
Zn    P
      2.441198E+04           5.000000E-06
      5.778518E+03           4.200000E-05
      1.876862E+03           2.380000E-04
      7.182361E+02           1.088000E-03
      3.048327E+02           3.821000E-03
      1.390453E+02           1.164400E-02
      6.680417E+01           2.616700E-02
      3.320699E+01           4.675000E-02
      1.692816E+01           4.330900E-02
      8.696229E+00          -1.342900E-02
      4.350510E+00          -1.538970E-01
      2.116523E+00          -1.674130E-01
      9.953870E-01          -8.499500E-02
      3.781120E-01           4.508130E-01
      1.345790E-01           6.408690E-01
Zn    P
      2.441198E+04           1.200000E-05
      5.778518E+03           9.600000E-05
      1.876862E+03           5.940000E-04
      7.182361E+02           2.484000E-03
      3.048327E+02           9.537000E-03
      1.390453E+02           2.647900E-02
      6.680417E+01           6.636600E-02
      3.320699E+01           1.024580E-01
      1.692816E+01           1.386830E-01
      8.696229E+00          -8.014000E-02
      4.350510E+00          -4.960690E-01
      2.116523E+00          -4.635100E-01
      9.953870E-01           8.745310E-01
      3.781120E-01           6.297900E-01
      1.345790E-01          -8.116860E-01
Zn    P
      4.628200E-02           1.000000E+00
Zn    P
      0.0159200              1.0000000
Zn    D
      2.056177E+02           2.342000E-03
      6.144981E+01           1.860600E-02
      2.305689E+01           7.710200E-02
      9.577739E+00           2.020260E-01
      4.133734E+00           3.294540E-01
      1.747518E+00           3.609760E-01
      6.995600E-01           2.716570E-01
Zn    D
      2.056177E+02           3.279000E-03
      6.144981E+01           2.617600E-02
      2.305689E+01           1.113670E-01
      9.577739E+00           3.045810E-01
      4.133734E+00           3.862990E-01
      1.747518E+00          -5.837500E-02
      6.995600E-01          -5.388760E-01
Zn    D
      2.056177E+02           3.740000E-03
      6.144981E+01           3.182500E-02
      2.305689E+01           1.322290E-01
      9.577739E+00           4.245500E-01
      4.133734E+00           1.203700E-01
      1.747518E+00          -7.626610E-01
      6.995600E-01          -1.128230E-01
Zn    D
      2.516080E-01           1.000000E+00
Zn    D
      0.0904900              1.0000000
Zn    F
      5.792200E+00           1.000000E+00
Zn    F
      1.485100E+00           1.000000E+00
Zn    F
      0.5486100              1.0000000
Zn    G
      4.114400E+00           1.0000000
Zn    G
      1.8293300              1.0000000
end
basis "Ga_aug-cc-pvtz" 
#basis SET: (75s,36p,10d,2f) -> [7s,6p,4d,2f]
Ga    S
      6.558157E+06           8.000000E-06
      9.820253E+05           6.220000E-05
      2.234677E+05           3.270000E-04
      6.328829E+04           1.379400E-03
      2.064294E+04           4.999300E-03
      7.450522E+03           1.606050E-02
      2.905074E+03           4.601240E-02
      1.204210E+03           1.152224E-01
      5.243045E+02           2.373921E-01
      2.374656E+02           3.531989E-01
      1.105787E+02           2.915500E-01
      5.137462E+01           8.121290E-02
      2.444085E+01           7.655000E-04
      1.176859E+01           1.612400E-03
      5.342119E+00          -7.530000E-04
      2.495036E+00           3.134000E-04
      1.098773E+00          -1.306000E-04
      2.601800E-01           5.130000E-05
Ga    S
      6.558157E+06          -2.500000E-06
      9.820253E+05          -1.930000E-05
      2.234677E+05          -1.014000E-04
      6.328829E+04          -4.281000E-04
      2.064294E+04          -1.558200E-03
      7.450522E+03          -5.046900E-03
      2.905074E+03          -1.480560E-02
      1.204210E+03          -3.894820E-02
      5.243045E+02          -8.968320E-02
      2.374656E+02          -1.664076E-01
      1.105787E+02          -2.004010E-01
      5.137462E+01           1.149430E-02
      2.444085E+01           4.958134E-01
      1.176859E+01           5.295550E-01
      5.342119E+00           1.110185E-01
      2.495036E+00          -7.000000E-04
      1.098773E+00           2.228300E-03
      2.601800E-01          -5.014000E-04
Ga    S
      6.558157E+06           9.000000E-07
      9.820253E+05           7.400000E-06
      2.234677E+05           3.870000E-05
      6.328829E+04           1.633000E-04
      2.064294E+04           5.944000E-04
      7.450522E+03           1.929200E-03
      2.905074E+03           5.668900E-03
      1.204210E+03           1.502820E-02
      5.243045E+02           3.502220E-02
      2.374656E+02           6.711350E-02
      1.105787E+02           8.501560E-02
      5.137462E+01          -4.721200E-03
      2.444085E+01          -3.016737E-01
      1.176859E+01          -4.825489E-01
      5.342119E+00           8.916950E-02
      2.495036E+00           7.287830E-01
      1.098773E+00           4.288542E-01
      2.601800E-01           2.072490E-02
Ga    S
      6.558157E+06           2.000000E-07
      9.820253E+05           1.700000E-06
      2.234677E+05           9.000000E-06
      6.328829E+04           3.800000E-05
      2.064294E+04           1.382000E-04
      7.450522E+03           4.489000E-04
      2.905074E+03           1.318800E-03
      1.204210E+03           3.501600E-03
      5.243045E+02           8.167300E-03
      2.374656E+02           1.573380E-02
      1.105787E+02           2.002840E-02
      5.137462E+01          -1.013600E-03
      2.444085E+01          -7.501620E-02
      1.176859E+01          -1.257980E-01
      5.342119E+00           3.008570E-02
      2.495036E+00           2.488169E-01
      1.098773E+00           2.843706E-01
      2.601800E-01          -3.110594E-01
Ga    S
      1.270790E-01           1.000000E+00
Ga    S
      5.440800E-02           1.000000E+00
Ga    S
      0.0143980              1.0000000
Ga    P
      8.050167E+03           3.169000E-04
      1.907536E+03           2.764800E-03
      6.186275E+02           1.512040E-02
      2.353242E+02           5.995830E-02
      9.889965E+01           1.733120E-01
      4.424822E+01           3.410820E-01
      2.061743E+01           3.896967E-01
      9.780516E+00           1.839817E-01
      4.441238E+00           2.188960E-02
      1.964045E+00           1.160800E-03
      8.335780E-01           2.735000E-04
Ga    P
      8.050167E+03          -1.203000E-04
      1.907536E+03          -1.049200E-03
      6.186275E+02          -5.810200E-03
      2.353242E+02          -2.343450E-02
      9.889965E+01          -7.082700E-02
      4.424822E+01          -1.465511E-01
      2.061743E+01          -1.769660E-01
      9.780516E+00           3.638210E-02
      4.441238E+00           4.232848E-01
      1.964045E+00           4.952586E-01
      8.335780E-01           1.797428E-01
Ga    P
      8.050167E+03           2.000000E-05
      1.907536E+03           1.689000E-04
      6.186275E+02           9.668000E-04
      2.353242E+02           3.779700E-03
      9.889965E+01           1.190820E-02
      4.424822E+01           2.356930E-02
      2.061743E+01           3.142330E-02
      9.780516E+00          -1.361880E-02
      4.441238E+00          -7.340030E-02
      1.964045E+00          -1.264785E-01
      8.335780E-01           1.585790E-02
Ga    P
      1.934450E-01           1.000000E+00
Ga    P
      5.611700E-02           1.000000E+00
Ga    P
      0.0193000              1.0000000
Ga    D
      2.441474E+02           2.027000E-03
      7.306759E+01           1.650880E-02
      2.759208E+01           7.038230E-02
      1.154652E+01           1.911430E-01
      5.048628E+00           3.254092E-01
      2.178465E+00           3.678199E-01
      9.002530E-01           2.744685E-01
Ga    D
      3.373270E-01           1.000000E+00
Ga    D
      1.169000E-01           1.000000E+00
Ga    D
      0.0387000              1.0000000
Ga    F
      2.881000E-01           1.0000000
Ga    F
      0.0980000              1.0000000
end
basis "Ge_aug-cc-pvtz" 
#basis SET: (75s,36p,10d,2f) -> [7s,6p,4d,2f]
Ge    S
      7.447967E+06           7.400000E-06
      1.115318E+06           5.740000E-05
      2.538426E+05           3.019000E-04
      7.191529E+04           1.273300E-03
      2.347018E+04           4.612300E-03
      8.477492E+03           1.482140E-02
      3.308391E+03           4.255360E-02
      1.372605E+03           1.073055E-01
      5.982201E+02           2.245178E-01
      2.713860E+02           3.453131E-01
      1.269780E+02           3.045261E-01
      6.022207E+01           9.906700E-02
      2.801858E+01           4.131700E-03
      1.351752E+01           1.034700E-03
      6.309406E+00          -4.856000E-04
      2.904534E+00           1.805000E-04
      1.287556E+00          -9.120000E-05
      1.677320E-01          -2.660000E-05
Ge    S
      7.447967E+06          -2.300000E-06
      1.115318E+06          -1.790000E-05
      2.538426E+05          -9.400000E-05
      7.191529E+04          -3.964000E-04
      2.347018E+04          -1.442500E-03
      8.477492E+03          -4.667500E-03
      3.308391E+03          -1.371530E-02
      1.372605E+03          -3.617970E-02
      5.982201E+02          -8.416790E-02
      2.713860E+02          -1.588767E-01
      1.269780E+02          -2.033807E-01
      6.022207E+01          -2.514100E-02
      2.801858E+01           4.575152E-01
      1.351752E+01           5.571939E-01
      6.309406E+00           1.397055E-01
      2.904534E+00           2.264500E-03
      1.287556E+00           2.092700E-03
      1.677320E-01           3.281000E-04
Ge    S
      7.447967E+06           9.000000E-07
      1.115318E+06           6.900000E-06
      2.538426E+05           3.620000E-05
      7.191529E+04           1.528000E-04
      2.347018E+04           5.563000E-04
      8.477492E+03           1.801800E-03
      3.308391E+03           5.308500E-03
      1.372605E+03           1.408770E-02
      5.982201E+02           3.320130E-02
      2.713860E+02           6.446210E-02
      1.269780E+02           8.695400E-02
      6.022207E+01           1.187450E-02
      2.801858E+01          -2.724534E-01
      1.351752E+01          -5.001452E-01
      6.309406E+00           1.085540E-02
      2.904534E+00           7.216469E-01
      1.287556E+00           4.805213E-01
      1.677320E-01          -1.022970E-02
Ge    S
      7.447967E+06          -2.000000E-07
      1.115318E+06          -1.800000E-06
      2.538426E+05          -9.300000E-06
      7.191529E+04          -3.920000E-05
      2.347018E+04          -1.426000E-04
      8.477492E+03          -4.621000E-04
      3.308391E+03          -1.361400E-03
      1.372605E+03          -3.617500E-03
      5.982201E+02          -8.535900E-03
      2.713860E+02          -1.665060E-02
      1.269780E+02          -2.259110E-02
      6.022207E+01          -3.214700E-03
      2.801858E+01           7.449980E-02
      1.351752E+01           1.440333E-01
      6.309406E+00          -8.081500E-03
      2.904534E+00          -2.704163E-01
      1.287556E+00          -3.401607E-01
      1.677320E-01           6.190657E-01
Ge    S
      3.365520E-01           1.000000E+00
Ge    S
      7.106900E-02           1.000000E+00
Ge    S
      0.0273700              1.0000000
Ge    P
      6.979598E+03           4.569000E-04
      1.654165E+03           3.956200E-03
      5.360286E+02           2.131430E-02
      2.035371E+02           8.187150E-02
      8.523753E+01           2.223732E-01
      3.784196E+01           3.905659E-01
      1.740651E+01           3.560415E-01
      7.881492E+00           1.070312E-01
      3.533213E+00           3.694100E-03
      1.521473E+00           1.921900E-03
      1.990930E-01           1.917000E-04
Ge    P
      6.979598E+03          -1.756000E-04
      1.654165E+03          -1.530500E-03
      5.360286E+02          -8.314500E-03
      2.035371E+02          -3.287180E-02
      8.523753E+01          -9.316610E-02
      3.784196E+01          -1.755542E-01
      1.740651E+01          -1.467912E-01
      7.881492E+00           1.862934E-01
      3.533213E+00           5.264862E-01
      1.521473E+00           3.970859E-01
      1.990930E-01          -3.347800E-03
Ge    P
      6.979598E+03           3.480000E-05
      1.654165E+03           3.014000E-04
      5.360286E+02           1.648700E-03
      2.035371E+02           6.498200E-03
      8.523753E+01           1.863830E-02
      3.784196E+01           3.506130E-02
      1.740651E+01           2.958920E-02
      7.881492E+00          -4.724580E-02
      3.533213E+00          -1.249847E-01
      1.521473E+00          -1.210801E-01
      1.990930E-01           5.754730E-01
Ge    P
      5.627040E-01           1.000000E+00
Ge    P
      6.703100E-02           1.000000E+00
Ge    P
      0.0213680              1.0000000
Ge    D
      2.822391E+02           1.827500E-03
      8.454996E+01           1.515450E-02
      3.207366E+01           6.604600E-02
      1.349750E+01           1.839470E-01
      5.958550E+00           3.227872E-01
      2.610788E+00           3.729459E-01
      1.103987E+00           2.751730E-01
Ge    D
      4.240490E-01           1.000000E+00
Ge    D
      1.520000E-01           1.000000E+00
Ge    D
      0.0528000              1.0000000
Ge    F
      3.458000E-01           1.0000000
Ge    F
      0.1323000              1.0000000
end
basis "As_aug-cc-pvtz" 
#basis SET: (75s,36p,10d,2f) -> [7s,6p,4d,2f]
As    S
      8.482340E+06           6.800000E-06
      1.270151E+06           5.280000E-05
      2.890570E+05           2.774000E-04
      8.187985E+04           1.170200E-03
      2.671656E+04           4.242100E-03
      9.647584E+03           1.365570E-02
      3.764119E+03           3.933990E-02
      1.561566E+03           9.992920E-02
      6.808147E+02           2.121555E-01
      3.092412E+02           3.363866E-01
      1.452574E+02           3.155125E-01
      6.973905E+01           1.181312E-01
      3.177032E+01           8.007600E-03
      1.539176E+01           3.293000E-04
      7.341526E+00          -1.523000E-04
      3.323716E+00           2.470000E-05
      1.485867E+00          -3.660000E-05
      2.115000E-01          -9.400000E-06
As    S
      8.482340E+06          -2.100000E-06
      1.270151E+06          -1.650000E-05
      2.890570E+05          -8.660000E-05
      8.187985E+04          -3.653000E-04
      2.671656E+04          -1.330900E-03
      9.647584E+03          -4.309300E-03
      3.764119E+03          -1.269730E-02
      1.561566E+03          -3.361600E-02
      6.808147E+02          -7.894700E-02
      3.092412E+02          -1.514458E-01
      1.452574E+02          -2.042014E-01
      6.973905E+01          -5.573670E-02
      3.177032E+01           4.187607E-01
      1.539176E+01           5.758762E-01
      7.341526E+00           1.696842E-01
      3.323716E+00           6.066200E-03
      1.485867E+00           1.760500E-03
      2.115000E-01           2.316000E-04
As    S
      8.482340E+06           8.000000E-07
      1.270151E+06           6.400000E-06
      2.890570E+05           3.370000E-05
      8.187985E+04           1.423000E-04
      2.671656E+04           5.188000E-04
      9.647584E+03           1.680200E-03
      3.764119E+03           4.967700E-03
      1.561566E+03           1.321150E-02
      6.808147E+02           3.145660E-02
      3.092412E+02           6.184460E-02
      1.452574E+02           8.795660E-02
      6.973905E+01           2.575480E-02
      3.177032E+01          -2.455459E-01
      1.539176E+01          -5.090572E-01
      7.341526E+00          -5.557490E-02
      3.323716E+00           7.083796E-01
      1.485867E+00           5.231027E-01
      2.115000E-01          -1.111760E-02
As    S
      8.482340E+06          -2.000000E-07
      1.270151E+06          -1.800000E-06
      2.890570E+05          -9.300000E-06
      8.187985E+04          -3.920000E-05
      2.671656E+04          -1.429000E-04
      9.647584E+03          -4.629000E-04
      3.764119E+03          -1.368700E-03
      1.561566E+03          -3.644000E-03
      6.808147E+02          -8.688400E-03
      3.092412E+02          -1.715560E-02
      1.452574E+02          -2.455140E-02
      6.973905E+01          -7.352400E-03
      3.177032E+01           7.200870E-02
      1.539176E+01           1.576254E-01
      7.341526E+00           1.420740E-02
      3.323716E+00          -2.851593E-01
      1.485867E+00          -3.885347E-01
      2.115000E-01           6.495337E-01
As    S
      4.210860E-01           1.000000E+00
As    S
      8.897400E-02           1.000000E+00
As    S
      0.0334070              1.0000000
As    P
      7.423861E+03           4.599000E-04
      1.759517E+03           3.982300E-03
      5.702292E+02           2.146380E-02
      2.165800E+02           8.246170E-02
      9.073425E+01           2.238902E-01
      4.030879E+01           3.920704E-01
      1.855550E+01           3.542238E-01
      8.396543E+00           1.048641E-01
      3.767367E+00           3.366400E-03
      1.629701E+00           1.849500E-03
      2.225030E-01           2.297000E-04
As    P
      7.423861E+03          -1.794000E-04
      1.759517E+03          -1.564100E-03
      5.702292E+02          -8.499900E-03
      2.165800E+02          -3.363270E-02
      9.073425E+01          -9.532280E-02
      4.030879E+01          -1.793626E-01
      1.855550E+01          -1.466682E-01
      8.396543E+00           1.966016E-01
      3.767367E+00           5.372088E-01
      1.629701E+00           3.857361E-01
      2.225030E-01          -5.400600E-03
As    P
      7.423861E+03           3.990000E-05
      1.759517E+03           3.488000E-04
      5.702292E+02           1.895300E-03
      2.165800E+02           7.532500E-03
      9.073425E+01           2.143150E-02
      4.030879E+01           4.078070E-02
      1.855550E+01           3.252490E-02
      8.396543E+00          -5.488320E-02
      3.767367E+00          -1.511922E-01
      1.629701E+00          -1.249011E-01
      2.225030E-01           5.855293E-01
As    P
      5.682630E-01           1.000000E+00
As    P
      8.040500E-02           1.000000E+00
As    P
      0.0267990              1.0000000
As    D
      3.210196E+02           1.684000E-03
      9.624931E+01           1.415860E-02
      3.664496E+01           6.282590E-02
      1.549396E+01           1.784993E-01
      6.891138E+00           3.209452E-01
      3.054831E+00           3.773515E-01
      1.314241E+00           2.750231E-01
As    D
      5.134300E-01           1.000000E+00
As    D
      1.877000E-01           1.000000E+00
As    D
      0.0700000              1.0000000
As    F
      4.158000E-01           1.0000000
As    F
      0.1690000              1.0000000
end
basis "Se_aug-cc-pvtz" 
#basis SET: (75s,36p,10d,2f) -> [7s,6p,4d,2f]
Se    S
      9.563600E+06           6.300000E-06
      1.432100E+06           4.890000E-05
      3.259100E+05           2.574000E-04
      9.231200E+04           1.086100E-03
      3.011600E+04           3.939900E-03
      1.087200E+04           1.270410E-02
      4.240100E+03           3.671560E-02
      1.758400E+03           9.386720E-02
      7.665900E+02           2.017677E-01
      3.484300E+02           3.280540E-01
      1.640300E+02           3.238334E-01
      7.914200E+01           1.352337E-01
      3.552400E+01           1.170750E-02
      1.730500E+01          -3.436000E-04
      8.378400E+00           1.665000E-04
      3.740500E+00          -1.188000E-04
      1.689000E+00           2.040000E-05
      2.552000E-01           8.300000E-06
Se    S
      9.563600E+06          -2.000000E-06
      1.432100E+06          -1.530000E-05
      3.259100E+05          -8.060000E-05
      9.231200E+04          -3.400000E-04
      3.011600E+04          -1.239700E-03
      1.087200E+04          -4.017700E-03
      4.240100E+03          -1.186720E-02
      1.758400E+03          -3.153400E-02
      7.665900E+02          -7.464390E-02
      3.484300E+02          -1.452179E-01
      1.640300E+02          -2.038441E-01
      7.914200E+01          -7.887110E-02
      3.552400E+01           3.845825E-01
      1.730500E+01           5.865270E-01
      8.378400E+00           1.973591E-01
      3.740500E+00           1.001020E-02
      1.689000E+00           1.316000E-03
      2.552000E-01           1.109000E-04
Se    S
      9.563600E+06           8.000000E-07
      1.432100E+06           6.000000E-06
      3.259100E+05           3.170000E-05
      9.231200E+04           1.337000E-04
      3.011600E+04           4.883000E-04
      1.087200E+04           1.582100E-03
      4.240100E+03           4.691900E-03
      1.758400E+03           1.250980E-02
      7.665900E+02           3.003810E-02
      3.484300E+02           5.972710E-02
      1.640300E+02           8.846960E-02
      7.914200E+01           3.639200E-02
      3.552400E+01          -2.235329E-01
      1.730500E+01          -5.122462E-01
      8.378400E+00          -1.084224E-01
      3.740500E+00           6.936372E-01
      1.689000E+00           5.558711E-01
      2.552000E-01          -1.138320E-02
Se    S
      9.563600E+06          -2.000000E-07
      1.432100E+06          -1.800000E-06
      3.259100E+05          -9.300000E-06
      9.231200E+04          -3.910000E-05
      3.011600E+04          -1.428000E-04
      1.087200E+04          -4.627000E-04
      4.240100E+03          -1.372200E-03
      1.758400E+03          -3.662800E-03
      7.665900E+02          -8.806100E-03
      3.484300E+02          -1.758670E-02
      1.640300E+02          -2.620740E-02
      7.914200E+01          -1.099640E-02
      3.552400E+01           6.956970E-02
      1.730500E+01           1.683947E-01
      8.378400E+00           3.461600E-02
      3.740500E+00          -2.978702E-01
      1.689000E+00          -4.322569E-01
      2.552000E-01           6.757217E-01
Se    S
      5.092700E-01           1.000000E+00
Se    S
      1.065100E-01           1.000000E+00
Se    S
      0.0392010              1.0000000
Se    P
      8.004300E+03           4.505000E-04
      1.896900E+03           3.904900E-03
      6.147100E+02           2.109010E-02
      2.335000E+02           8.129200E-02
      9.785600E+01           2.217841E-01
      4.351400E+01           3.907270E-01
      2.006300E+01           3.559714E-01
      9.112700E+00           1.073272E-01
      4.106300E+00           3.698500E-03
      1.794900E+00           1.803200E-03
      2.461500E-01           2.208000E-04
Se    P
      8.004300E+03          -1.783000E-04
      1.896900E+03          -1.555400E-03
      6.147100E+02          -8.472700E-03
      2.335000E+02          -3.362450E-02
      9.785600E+01          -9.582670E-02
      4.351400E+01          -1.813907E-01
      2.006300E+01          -1.503152E-01
      9.112700E+00           1.948263E-01
      4.106300E+00           5.415554E-01
      1.794900E+00           3.837299E-01
      2.461500E-01          -5.013200E-03
Se    P
      8.004300E+03           4.300000E-05
      1.896900E+03           3.770000E-04
      6.147100E+02           2.046500E-03
      2.335000E+02           8.189900E-03
      9.785600E+01           2.333560E-02
      4.351400E+01           4.498130E-02
      2.006300E+01           3.574750E-02
      9.112700E+00          -5.868660E-02
      4.106300E+00          -1.709573E-01
      1.794900E+00          -1.293583E-01
      2.461500E-01           5.778069E-01
Se    P
      6.243200E-01           1.000000E+00
Se    P
      8.891700E-02           1.000000E+00
Se    P
      0.0302510              1.0000000
Se    D
      3.618500E+02           1.565500E-03
      1.085500E+02           1.332620E-02
      4.143300E+01           6.015270E-02
      1.757900E+01           1.740293E-01
      7.862700E+00           3.195690E-01
      3.518000E+00           3.812029E-01
      1.534800E+00           2.746086E-01
Se    D
      6.081300E-01           1.000000E+00
Se    D
      2.220000E-01           1.000000E+00
Se    D
      0.0837000              1.0000000
Se    F
      4.620000E-01           1.0000000
Se    F
      0.1880000              1.0000000
end
basis "Br_aug-cc-pvtz" 
#basis SET: (75s,36p,10d,2f) -> [7s,6p,4d,2f]
Br    S
      1.063900E+07           5.900000E-06
      1.593400E+06           4.610000E-05
      3.626100E+05           2.422000E-04
      1.027000E+05           1.022600E-03
      3.350100E+04           3.711300E-03
      1.209300E+04           1.197850E-02
      4.715900E+03           3.469270E-02
      1.955600E+03           8.912390E-02
      8.526100E+02           1.934557E-01
      3.876700E+02           3.209019E-01
      1.826800E+02           3.299233E-01
      8.824500E+01           1.494121E-01
      3.926300E+01           1.499380E-02
      1.923400E+01          -9.165000E-04
      9.405700E+00           4.380000E-04
      4.160100E+00          -2.398000E-04
      1.899500E+00           7.360000E-05
      3.011400E-01           2.390000E-05
Br    S
      1.063900E+07          -1.900000E-06
      1.593400E+06          -1.450000E-05
      3.626100E+05          -7.610000E-05
      1.027000E+05          -3.210000E-04
      3.350100E+04          -1.170900E-03
      1.209300E+04          -3.796800E-03
      4.715900E+03          -1.123070E-02
      1.955600E+03          -2.992770E-02
      8.526100E+02          -7.127060E-02
      3.876700E+02          -1.403136E-01
      1.826800E+02          -2.030763E-01
      8.824500E+01          -9.609850E-02
      3.926300E+01           3.558086E-01
      1.923400E+01           5.921792E-01
      9.405700E+00           2.215977E-01
      4.160100E+00           1.376480E-02
      1.899500E+00           8.395000E-04
      3.011400E-01          -8.500000E-06
Br    S
      1.063900E+07           7.000000E-07
      1.593400E+06           5.700000E-06
      3.626100E+05           3.030000E-05
      1.027000E+05           1.275000E-04
      3.350100E+04           4.659000E-04
      1.209300E+04           1.509600E-03
      4.715900E+03           4.485200E-03
      1.955600E+03           1.198350E-02
      8.526100E+02           2.895710E-02
      3.876700E+02           5.815660E-02
      1.826800E+02           8.881330E-02
      8.824500E+01           4.452440E-02
      3.926300E+01          -2.060387E-01
      1.923400E+01          -5.127017E-01
      9.405700E+00          -1.509349E-01
      4.160100E+00           6.789203E-01
      1.899500E+00           5.817697E-01
      3.011400E-01          -1.118250E-02
Br    S
      1.063900E+07          -2.000000E-07
      1.593400E+06          -1.800000E-06
      3.626100E+05          -9.300000E-06
      1.027000E+05          -3.910000E-05
      3.350100E+04          -1.428000E-04
      1.209300E+04          -4.628000E-04
      4.715900E+03          -1.375000E-03
      1.955600E+03          -3.678400E-03
      8.526100E+02          -8.898100E-03
      3.876700E+02          -1.795290E-02
      1.826800E+02          -2.757320E-02
      8.824500E+01          -1.409530E-02
      3.926300E+01           6.725610E-02
      1.923400E+01           1.766928E-01
      9.405700E+00           5.288610E-02
      4.160100E+00          -3.075955E-01
      1.899500E+00          -4.700658E-01
      3.011400E-01           6.980341E-01
Br    S
      6.047200E-01           1.000000E+00
Br    S
      1.251500E-01           1.000000E+00
Br    S
      0.0455930              1.0000000
Br    P
      8.676500E+03           4.357000E-04
      2.055900E+03           3.781500E-03
      6.662300E+02           2.047820E-02
      2.531000E+02           7.928340E-02
      1.061200E+02           2.178473E-01
      4.724200E+01           3.878585E-01
      2.182500E+01           3.594350E-01
      9.968400E+00           1.121995E-01
      4.517100E+00           4.387400E-03
      1.998200E+00           1.780900E-03
      2.814500E-01           2.122000E-04
Br    P
      8.676500E+03          -1.748000E-04
      2.055900E+03          -1.526300E-03
      6.662300E+02          -8.339900E-03
      2.531000E+02          -3.322030E-02
      1.061200E+02          -9.541800E-02
      4.724200E+01          -1.824026E-01
      2.182500E+01          -1.558308E-01
      9.968400E+00           1.867899E-01
      4.517100E+00           5.427733E-01
      1.998200E+00           3.873309E-01
      2.814500E-01          -4.378400E-03
Br    P
      8.676500E+03           4.510000E-05
      2.055900E+03           3.964000E-04
      6.662300E+02           2.155500E-03
      2.531000E+02           8.672000E-03
      1.061200E+02           2.486800E-02
      4.724200E+01           4.854720E-02
      2.182500E+01           3.961560E-02
      9.968400E+00          -6.057490E-02
      4.517100E+00          -1.871699E-01
      1.998200E+00          -1.377757E-01
      2.814500E-01           5.760896E-01
Br    P
      7.098800E-01           1.000000E+00
Br    P
      1.020400E-01           1.000000E+00
Br    P
      0.0351420              1.0000000
Br    D
      4.038300E+02           1.473200E-03
      1.211700E+02           1.267250E-02
      4.634500E+01           5.804510E-02
      1.972100E+01           1.705103E-01
      8.862400E+00           3.185958E-01
      3.996200E+00           3.845023E-01
      1.763600E+00           2.737737E-01
Br    D
      7.061900E-01           1.000000E+00
Br    D
      2.639000E-01           1.000000E+00
Br    D
      0.1047000              1.0000000
Br    F
      5.515000E-01           1.0000000
Br    F
      0.2580000              1.0000000
end
basis "Kr_aug-cc-pvtz" 
#basis SET: (75s,36p,10d,2f) -> [7s,6p,4d,2f]
Kr    S
      1.171811E+07           5.600000E-06
      1.754604E+06           4.380000E-05
      3.992813E+05           2.305000E-04
      1.130846E+05           9.733000E-04
      3.688593E+04           3.533700E-03
      1.331221E+04           1.141670E-02
      5.189988E+03           3.313250E-02
      2.151660E+03           8.544640E-02
      9.380325E+02           1.869124E-01
      4.265573E+02           3.149761E-01
      2.010666E+02           3.343334E-01
      9.709761E+01           1.608810E-01
      4.299872E+01           1.784350E-02
      2.117707E+01          -1.379300E-03
      1.042675E+01           6.572000E-04
      4.585008E+00          -3.388000E-04
      2.117603E+00           1.211000E-04
      3.492250E-01           3.660000E-05
Kr    S
      1.171811E+07          -1.800000E-06
      1.754604E+06          -1.380000E-05
      3.992813E+05          -7.260000E-05
      1.130846E+05          -3.063000E-04
      3.688593E+04          -1.117700E-03
      1.331221E+04          -3.627000E-03
      5.189988E+03          -1.074320E-02
      2.151660E+03          -2.869920E-02
      9.380325E+02          -6.866790E-02
      4.265573E+02          -1.365155E-01
      2.010666E+02          -2.022458E-01
      9.709761E+01          -1.090569E-01
      4.299872E+01           3.318768E-01
      2.117707E+01           5.948250E-01
      1.042675E+01           2.424825E-01
      4.585008E+00           1.722410E-02
      2.117603E+00           3.685000E-04
      3.492250E-01          -1.153000E-04
Kr    S
      1.171811E+07           7.000000E-07
      1.754604E+06           5.500000E-06
      3.992813E+05           2.920000E-05
      1.130846E+05           1.228000E-04
      3.688593E+04           4.491000E-04
      1.331221E+04           1.455700E-03
      5.189988E+03           4.331900E-03
      2.151660E+03           1.159650E-02
      9.380325E+02           2.815850E-02
      4.265573E+02           5.703390E-02
      2.010666E+02           8.913560E-02
      9.709761E+01           5.084210E-02
      4.299872E+01          -1.921030E-01
      2.117707E+01          -5.121040E-01
      1.042675E+01          -1.857007E-01
      4.585008E+00           6.654119E-01
      2.117603E+00           6.023925E-01
      3.492250E-01          -1.064530E-02
Kr    S
      1.171811E+07          -2.000000E-07
      1.754604E+06          -1.800000E-06
      3.992813E+05          -9.300000E-06
      1.130846E+05          -3.910000E-05
      3.688593E+04          -1.430000E-04
      1.331221E+04          -4.639000E-04
      5.189988E+03          -1.380100E-03
      2.151660E+03          -3.700100E-03
      9.380325E+02          -8.992100E-03
      4.265573E+02          -1.830210E-02
      2.010666E+02          -2.875590E-02
      9.709761E+01          -1.673240E-02
      4.299872E+01           6.524100E-02
      2.117707E+01           1.834422E-01
      1.042675E+01           6.921830E-02
      4.585008E+00          -3.156034E-01
      2.117603E+00          -5.031501E-01
      3.492250E-01           7.171571E-01
Kr    S
      7.070570E-01           1.000000E+00
Kr    S
      1.448210E-01           1.000000E+00
Kr    S
      0.0519850              1.0000000
Kr    P
      9.366309E+03           4.231000E-04
      2.219554E+03           3.674300E-03
      7.194529E+02           1.993120E-02
      2.734645E+02           7.742220E-02
      1.147523E+02           2.140386E-01
      5.115557E+01           3.848556E-01
      2.368268E+01           3.626340E-01
      1.087548E+01           1.170818E-01
      4.955131E+00           5.121000E-03
      2.217267E+00           1.753900E-03
      3.221540E-01           2.199000E-04
Kr    P
      9.366309E+03          -1.720000E-04
      2.219554E+03          -1.502500E-03
      7.194529E+02          -8.226900E-03
      2.734645E+02          -3.285660E-02
      1.147523E+02          -9.501350E-02
      5.115557E+01          -1.833106E-01
      2.368268E+01          -1.612161E-01
      1.087548E+01           1.787644E-01
      4.955131E+00           5.437885E-01
      2.217267E+00           3.913387E-01
      3.221540E-01          -4.780000E-03
Kr    P
      9.366309E+03           4.660000E-05
      2.219554E+03           4.100000E-04
      7.194529E+02           2.232800E-03
      2.734645E+02           9.014400E-03
      1.147523E+02           2.601150E-02
      5.115557E+01           5.133400E-02
      2.368268E+01           4.309290E-02
      1.087548E+01          -6.150400E-02
      4.955131E+00          -2.003424E-01
      2.217267E+00          -1.457364E-01
      3.221540E-01           5.764581E-01
Kr    P
      8.064100E-01           1.000000E+00
Kr    P
      1.176190E-01           1.000000E+00
Kr    P
      0.0400330              1.0000000
Kr    D
      4.461613E+02           1.404400E-03
      1.339648E+02           1.217150E-02
      5.134591E+01           5.639190E-02
      2.191691E+01           1.676430E-01
      9.893725E+00           3.177368E-01
      4.492527E+00           3.872647E-01
      2.002293E+00           2.728006E-01
Kr    D
      8.084090E-01           1.000000E+00
Kr    D
      3.006000E-01           1.000000E+00
Kr    D
      0.1257000              1.0000000
Kr    F
      6.622000E-01           1.0000000
Kr    F
      0.3280000              1.0000000
end
