# Basis Sets for Solid-State Calculations
#
# Consistent Gaussian basis sets for solid-state calculations
#
# By Michael F. Peintinger, Daniel Vilela Oliveira and Thomas Bredow
#
#
#
# How to cite:
# Peintinger, M. F., Oliveira, D. V. and Bredow, T. , Consistent gaussian basis sets of
# Triple-Zeta valence with polarization quality for solid-State Calculations.
# J. Comput. Chem. (2013), 34, 451-459. DOI: 10.1002/jcc.23153
#
#@article {JCC:JCC23153,
#author = {Peintinger, Michael F. and Oliveira, Daniel Vilela and Bredow, Thomas},
#title = {Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations},
#journal = {Journal of Computational Chemistry},
#publisher = {Wiley Subscription Services, Inc., A Wiley Company},
#issn = {1096-987X},
#url = {https://doi.org/10.1002/jcc.23153},
#doi = {10.1002/jcc.23153},
#pages = {451--459},
#keywords = {CRYSTAL, basis sets, TZVP, solid-state calculations},
#year = {2012},
#}
#
########################################################################################################################
#01_H   04_Be  06_C  08_O  11_Na  13_Al  15_P  17_Cl  20_Ca  22_Ti  24_Cr  26_Fe  28_Ni  30_Zn  32_Ge  34_Se
#03_Li  05_B   07_N  09_F  12_Mg  14_Si  16_S  19_K   21_Sc  23_V   25_Mn  27_Co  29_Cu  31_Ga  33_As  35_Br
########################################################################################################################
 H  pob-TZVP
 4
 1 0 0 3 1
  34.061341000      0.00602519780
  5.1235746000      0.04502109400
  1.1646626000      0.20189726000
 2 0 0 1 1
  0.4157455100      1.00000000000
 2 0 0 1 1
  0.1795111000      1.00000000000
 2 1 1 1 1
  0.8000000000      1.00000000000

 Li pob-TZVP
 5
 1 0 0 6 1
  6269.2628010      0.00020540968826
  940.31612431      0.00159165540890
  214.22107528      0.00828698297070
  60.759840184      0.03385637424900
  19.915152032      0.11103225876000
  7.3171509797      0.27449383329000
 2 0 0 2 1
  2.9724674216      0.23792456411000
  1.2639852314      0.30765411924000
 2 0 0 1 1
  0.5025516200      1.00000000000000
 2 0 0 1 1
  0.1000746200      1.00000000000000
 2 1 1 1 1
  0.1450713300      1.00000000000000

 Be pob-TZVP
 5
 1 0 0 6 1
 4700.2365626        0.00023584389316
 704.82845622        0.00182437910190
 160.43110478        0.00939661482240
 45.425347336        0.03690892415900
 14.798334125        0.10897561281000
 5.3512452537        0.21694284551000
 2 0 0 2 1
 2.1542044819        0.44695408857000
 0.9336374440        0.20866985771000
 2 0 0 1 1
 0.24174508          1.00000000000000
 2 0 0 1 1
 0.12111452          1.00000000000000
 2 1 1 1 1
 0.79262157          1.00000000000000

 B  pob-TZVP
 8
 1 0 0 6 1
  8564.86606870      0.00022837198155
  1284.15162630      0.00176825764470
  292.278716040      0.00914070805160
  82.7754691760      0.03634263898900
  27.0179392690      0.11063458441000
  9.81496196600      0.23367344321000
 2 0 0 2 1
  3.93185590590      0.41818777978000
  1.65955997120      0.22325473798000
 2 0 0 1 1
  0.53318702000      1.00000000000000
 2 0 0 1 1
  0.26659351000      1.00000000000000
 2 1 1 4 1
  22.4538758030      0.00502655751790
  5.10450583300      0.03280173896500
  1.49860813440      0.13151230768000
  0.50927831315      0.33197167769000
 2 1 1 1 1
  0.53857716000      1.00000000000000
 2 1 1 1 1
  0.26928858000      1.00000000000000
 3 2 2 1 1
  0.75005942000      1.00000000000000

 C  pob-TZVP
 8
 1 0 0 6 1
  13575.349682      0.00022245814352
  2035.2333680      0.00172327382520
  463.22562359      0.00892557153140
  131.20019598      0.03572798450200
  42.853015891      0.11076259931000
  15.584185766      0.24295627626000
 2 0 0 2 1
  6.2067138508      0.41440263448000
  2.5764896527      0.23744968655000
 2 0 0 1 1
  0.4941102000      1.00000000000000
 2 0 0 1 1
  0.1644071000      1.00000000000000
 2 1 1 4 1
  34.697232244      0.00533336578050
  7.9582622826      0.03586410909200
  2.3780826883      0.14215873329000
  0.8143320818      0.34270471845000
 2 1 1 1 1
  0.5662417100      1.00000000000000
 2 1 1 1 1
  0.2673545000      1.00000000000000
 3 2 2 1 1
  0.8791584200      1.00000000000000

 N  pob-TZVP
 8
 1 0 0 6 1
  19730.800647      0.00021887984991
  2957.8958745      0.00169607088030
  673.22133595      0.00879546035380
  190.68249494      0.03535938260500
  62.295441898      0.11095789217000
  22.654161182      0.24982972552000
 2 0 0 2 1
  8.9791477428      0.4062389614800
  3.6863002370      0.2433821717600
 2 0 0 1 1
  0.7865398200      1.0000000000000
 2 0 0 1 1
  0.2677997200      1.0000000000000
 2 1 1 4 1
  49.200380510      0.0055552416751
  11.346790537      0.0380523797230
  3.4273972411      0.1495367102900
  1.1785525134      0.3494930523000
 2 1 1 1 1
  0.3780331700      1.0000000000000
 2 1 1 1 1
  0.1473661500      1.0000000000000
 3 2 2 1 1
  0.3612294900      1.0000000000000

 O  pob-TZVP
 8
 1 0 0 6 1
  27032.382631      0.00021726302465
  4052.3871392      0.00168386621990
  922.32722710      0.00873956162650
  261.24070989      0.03523996880800
  85.354641351      0.11153519115000
  31.035035245      0.25588953961000
 2 0 0 2 1
  12.260860728      0.39768730901000
  4.9987076005      0.24627849430000
 2 0 0 1 1
  1.0987136000      1.00000000000000
 2 0 0 1 1
  0.3565870100      1.00000000000000
 2 1 1 4 1
  63.274954801      0.0060685103418
  14.627049379      0.0419125758240
  4.4501223456      0.1615384108800
  1.5275799647      0.3570695131100
 2 1 1 1 1
  0.5489735000      1.0000000000000
 2 1 1 1 1
  0.1858671100      1.0000000000000
 3 2 2 1 1
  0.2534621300      1.0000000000000

 F  pob-TZVP
 8
 1 0 0 6 1
  35479.100441      0.00021545014888
  5318.4728983      0.00167006865270
  1210.4810975      0.00867332114760
  342.85518140      0.03504993317500
  112.01943181      0.11165320133000
  40.714740248      0.25988506647000
 2 0 0 2 1
  16.039678111      0.39422966880000
  6.5038186740      0.24998238551000
 2 0 0 1 1
  1.4420074900      1.00000000000000
 2 0 0 1 1
  0.4597725800      1.00000000000000
 2 1 1 4 1
  80.233900483      0.00636859991340
  18.594010743      0.04430314353000
  5.6867902653      0.16867248708000
  1.9511006294      0.36166346255000
 2 1 1 1 1
  0.6322845200      1.00000000000000
 2 1 1 1 1
  0.1983553200      1.00000000000000
 3 2 2 1 1
  0.5631263500      1.00000000000000

 Na pob-TZVP
 9
 1 0 0 7 1
  26041.1099270      0.00061806342811
  3906.12685480      0.00477486044140
  888.974549930      0.02447168482900
  251.454979610      0.09475539497700
  81.6501435120      0.26867496920000
  28.9041584010      0.47925475440000
  10.6257829320      0.33248591469000
 2 0 0 3 1
  53.7694101790      0.01952773187200
  16.3082430250      0.09264801079400
  2.37303841250     -0.39938670172000
 3 0 0 2 1
  0.95730772603      1.64285953910000
  0.40806460959      0.55692596966000
 3 0 0 1 1
  0.67460191000      1.00000000000000
 3 0 0 1 1
  0.10055549000      1.00000000000000
 2 1 1 5 1
  138.079799890      0.00579518919290
  32.2327003930      0.04162084625100
  9.98160753600      0.16281916885000
  3.48220339280      0.36011784647000
  1.22991346200      0.44858979889000
 2 1 1 1 1
  0.40094322000      1.00000000000000
 2 1 1 1 1
  0.10067345000      1.00000000000000
 3 2 2 1 1
  1.04630000000      1.00000000000000

 Mg pob-TZVP
 9
 1 0 0 7 1
  31438.3495550      0.00060912311326
  4715.51533540      0.00470661964650
  1073.16292470      0.02413582065700
  303.572387680      0.09362895983400
  98.6262510420      0.26646742093000
  34.9438084170      0.47890929917000
  12.8597851990      0.33698490286000
 2 0 0 3 1
  64.8769130040      0.01918088930700
  19.7255207770      0.09091370439200
  2.89518043390     -0.39563756125000
 3 0 0 2 1
  1.19604547100      1.68276033730000
  0.54329451156      0.52141091954000
 3 0 0 1 1
  1.34711883000      1.00000000000000
 3 0 0 1 1
  0.34506887000      1.00000000000000
 2 1 1 5 1
  179.871896120      0.00537995490180
  42.1200693760      0.03931801409800
  13.1205030320      0.15740129476000
  4.62575036090      0.35919094128000
  1.66952110160      0.45533379310000
 2 1 1 1 1
  0.56631001000      1.00000000000000
 2 1 1 1 1
  0.18813966000      1.00000000000000
 3 2 2 1 1
  0.69355357000      1.00000000000000

 Al pob-TZVP
 10
 1 0 0 7 1
  37792.5507720      0.00057047888709
  5668.06821650      0.00440930165380
  1289.85828410      0.02263096741100
  364.865960280      0.08802564429500
  118.576315150      0.25223701612000
  42.0248676050      0.45960547169000
  15.4995016290      0.33277886014000
 2 0 0 3 1
  75.2080265980      0.01925056019000
  23.0314089720      0.08790674395200
  3.63487976490     -0.34246704535000
 3 0 0 2 1
  1.60650499570      1.51062660580000
  0.76103394581      0.58071016470000
 3 0 0 1 1
  0.69881874000      1.00000000000000
 3 0 0 1 1
  0.34940937000      1.00000000000000
 2 1 1 5 1
  452.523031920      0.00231108124660
  107.081950490      0.01856864182300
  34.1310212550      0.08721623703500
  12.5870374280      0.26902101523000
  4.98119197040      0.52128324272000
 3 1 1 1 1
  1.93791887000      1.00000000000000
 3 1 1 1 1
  0.72047185000      1.00000000000000
 3 1 1 1 1
  0.18328583000      1.00000000000000
 3 2 2 1 1
  0.57798580000      1.00000000000000

 Si pob-TZVP
 10
 1 0 0 7 1
  44773.358078      0.00055914765868
  6717.1992104      0.00432060401890
  1528.8960325      0.02218709646000
  432.54746585      0.08648924911600
  140.61505226      0.24939889716000
  49.857636724      0.46017197366000
  18.434974885      0.34250236575000
 2 0 0 3 1
  86.533886111      0.02130006300700
  26.624606846      0.09467613931800
  4.4953057159     -0.32616264859000
 3 0 0 2 1
  2.1035045710      1.39808038500000
  1.0106094922      0.63865786699000
 3 0 0 1 1
  0.7422443800      1.00000000000000
 3 0 0 1 1
  0.2160762500      1.00000000000000
 2 1 1 5 1
  394.47503628      0.00262856939590
  93.137683104      0.02055625774900
  29.519608742      0.09207026280100
  10.781663791      0.25565889739000
  4.1626574778      0.42111707185000
 3 1 1 1 1
  1.4499318500      1.00000000000000
 3 1 1 1 1
  0.5949286700      1.00000000000000
 3 1 1 1 1
  0.1146786100      1.00000000000000
 3 2 2 1 1
  0.5074090300      1.00000000000000

 P  pob-TZVP
 10
 1 0 0 7 1
  52426.999233       0.0005520716410
  7863.2660552       0.0042678595308
  1789.5227333       0.0219315291860
  506.27300165       0.0856671683730
  164.60698546       0.2484068660500
  58.391918722       0.4633675397100
  21.643663201       0.3535055815600
 2 0 0 3 1
  99.013837620       0.0218956799580
  30.550439817       0.0956504702950
  5.4537087661      -0.2945427018600
 3 0 0 2 1
  2.6503362563       1.3294381200000
  1.2726688867       0.6610939647300
 3 0 0 1 1
  0.3072409700       1.0000000000000
 3 0 0 1 1
  0.1102708300       1.0000000000000
 2 1 1 5 1
  472.27219248       0.0025710623052
  111.58882756       0.0202502979990
  35.445936418       0.0915807167870
  12.990776875       0.2574945401400
  5.0486221658       0.4286289975800
 3 1 1 1 1
  1.8889755200       1.0000000000000
 3 1 1 1 1
  0.4424064200       1.0000000000000
 3 1 1 1 1
  0.1573225300       1.0000000000000
 3 2 2 1 1
  0.5061295000       1.0000000000000

 S  pob-TZVP
 10
 1 0 0 7 1
  60700.928104     0.00054695944225
  9102.6106854     0.00422972245570
  2071.4166009     0.02174782415900
  586.02476821     0.08510005358900
  190.55395021     0.24799128459000
  67.630384260     0.46703640406000
  25.127306905     0.36434587550000
 2 0 0 3 1
  112.57463010     0.02167004024000
  34.795554217     0.09360230176000
  6.5115556215    -0.26068001422000
 3 0 0 2 1
  3.2399032261     1.28420894350000
  1.5477160881     0.66036416584000
 3 0 0 1 1
  0.2887335200     1.00000000000000
 3 0 0 1 1
  0.1153457200     1.00000000000000
 2 1 1 5 1
  564.36716027     0.00247967963170
  133.42624379     0.01967793025000
  42.468271189     0.08998000825800
  15.616527580     0.25705880575000
  6.1093988469     0.43515167292000
 3 1 1 1 1
  2.0359436000     1.00000000000000
 3 1 1 1 1
  0.3337928300     1.00000000000000
 3 1 1 1 1
  0.1155009100     1.00000000000000
 3 2 2 1 1
  0.5207010100     1.00000000000000

 Cl pob-TZVP
 10
 1 0 0 7 1
  69507.990945      0.00054314897497
  10426.156880      0.00419904639610
  2373.2334061      0.02159214167900
  671.56420071      0.08459885009400
  218.41999790      0.24757249724000
  77.572249714      0.47016930228000
  28.888815277      0.37436370716000
 2 0 0 3 1
  127.10527185      0.02518216660300
  39.339582961      0.10786112456000
  7.6740679989     -0.27408821574000
 3 0 0 2 1
  3.8745627630      1.32138750140000
  1.8385832573      0.68636955368000
 3 0 0 1 1
  0.4498594500      1.00000000000000
 3 0 0 1 1
  0.1363703100      1.00000000000000
 2 1 1 5 1
  666.50423284      0.00236326638360
  157.64241690      0.01887930037400
  50.262520978      0.08720634127300
  18.536078105      0.25285612970000
  7.2940532777      0.43507154820000
 3 1 1 1 1
  2.80149164000     1.00000000000000
 3 1 1 1 1
  0.73964278000     1.00000000000000
 3 1 1 1 1
  0.21056105000     1.00000000000000
 3 2 2 1 1
  0.23728440000     1.00000000000000

 K  pob-TZVP
 11
 1 0 0 8 1
  153976.183250      0.00023662636107
  23082.4976720      0.00183429291370
  5253.23447450      0.00953105277690
  1486.95501330      0.03863840698000
  484.063337260      0.12480768502000
  173.566539800      0.29278861009000
  67.1163814640      0.40633425860000
  26.3395020540      0.20077215860000
 2 0 0 4 1
  172.876935670     -0.02420096093600
  53.0586490630     -0.11553095040000
  7.92127539640      0.57455545175000
  3.21088804720      0.57023185107000
 3 0 0 2 1
  4.56620708950     -0.22615763466000
  0.70209907282      0.75528392045000
 4 0 0 1 1
  0.91009660000      1.00000000000000
 4 0 0 1 1
  0.31839021000      1.00000000000000
 4 0 0 1 1
  0.10000178000      1.00000000000000
 2 1 1 6 1
  728.184498730      0.00261506897920
  172.132650610      0.02067363083500
  54.8298470750      0.09320560387000
  20.1662664940      0.25436518210000
  7.86107288060      0.39131132810000
  3.11052131320      0.22481345943000
 3 1 1 3 1
  11.7573374920     -0.02577728921700
  1.51396174110      0.57359428604000
  0.58328591795      1.07983200020000
 3 1 1 1 1
  0.31652437000      1.00000000000000
 3 1 1 1 1
  0.12001438000      1.00000000000000
 3 2 2 1 1
  0.29120633000      1.00000000000000

 Ca pob-TZVP
 11
 1 0 0 8 1
  172517.326850      0.00023317502546
  25861.5192750      0.00180765219800
  5885.66186680      0.00939438442550
  1665.97300310      0.03810840900900
  542.367181480      0.12331203853000
  194.578034920      0.29004470954000
  75.3035976360      0.40587151157000
  29.5740625890      0.20398410743000
 2 0 0 4 1
  191.200746600     -0.02441975975900
  58.8402998830     -0.11547027448000
  8.96425408450      0.56356636717000
  3.68569605410      0.56709682704000
 3 0 0 2 1
  5.24642897260     -0.22825334325000
  0.84862621528      0.72625219172000
 4 0 0 1 1
  1.30710626000      1.00000000000000
 4 0 0 1 1
  0.38027232000      1.00000000000000
 4 0 0 1 1
  0.16014616000      1.00000000000000
 2 1 1 6 1
  836.972620580      0.00252583460920
  197.930401420      0.02007650668600
  63.1355580540      0.09130298736600
  23.2826871700      0.25247029915000
  9.11764449320      0.39426326344000
  3.63361201390      0.23011559492000
 3 1 1 3 1
  13.4941631200     -0.02649502195100
  1.81392597900      0.55088108210000
  0.71981826006      1.02806166200000
 3 1 1 1 1
  0.36108303000      1.00000000000000
 3 1 1 1 1
  0.16029529000      1.00000000000000
 3 2 2 1 1
  0.78864471000      1.00000000000000

 Sc pob-TZVP
 14
 1 0 0 8 1
  191612.918740      0.00023076475942
  28723.8503630      0.00178903299460
  6537.01164900      0.00929904011400
  1850.30971710      0.03773943801100
  602.388551560      0.12227148359000
  216.173247660      0.28814821470000
  83.7125178800      0.40517543099000
  32.9087071890      0.20566019623000
 2 0 0 4 1
  211.343932340     -0.02452799146200
  65.1289201390     -0.11570158142000
  10.0343115350      0.55995283317000
  4.15968845970      0.56087765073000
 3 0 0 2 1
  6.00090416130     -0.22840494325000
  0.98255784150      0.71948970378000
 4 0 0 1 1
  1.42204508000      1.00000000000000
 4 0 0 1 1
  0.41466167000      1.00000000000000
 4 0 0 1 1
  0.14961565000      1.00000000000000
 2 1 1 6 1
  947.341228230      0.00247372087440
  224.096997320      0.01974296706000
  71.5603348820      0.09035714754900
  26.4448244900      0.25201602503000
  10.3937982850      0.39675535929000
  4.16063045590      0.23208624517000
 3 1 1 3 1
  15.5657371350     -0.02712942397400
  2.11215448650      0.55109256629000
  0.84184709021      1.00906358060000
 3 1 1 1 1
  0.63537059000      1.00000000000000
 3 1 1 1 1
  0.31768530000      1.00000000000000
 3 2 2 4 1
  30.9893909930      0.01190283743100
  8.69054650690      0.06765585685000
  2.95202563370      0.21332539722000
  1.07619107450      0.38391075578000
 3 2 2 1 1
  0.35567614000      1.00000000000000
 3 2 2 1 1
  0.12383645000      1.00000000000000
 4 3 3 1 1
  0.34500000000      1.00000000000000

 Ti pob-TZVP
 14
 1 0 0 8 1
  211575.690250      0.00023318151011
  31714.9450580      0.00180796908510
  7217.54765430      0.00939843113520
  2042.93942470      0.03815685361800
  665.128962080      0.12374757197000
  238.749422640      0.29208551143000
  92.5086910010      0.41226800855000
  36.4039192090      0.21090534061000
 2 0 0 4 1
  232.726246070     -0.02492014073800
  71.7912097110     -0.11746490087000
  11.1585346150      0.56503342318000
  4.65481354160      0.56211101812000
 3 0 0 2 1
  6.80346291740     -0.23011425503000
  1.12010764030      0.72103186735000
 4 0 0 1 1
  1.74504592000      1.00000000000000
 4 0 0 1 1
  0.63463883000      1.00000000000000
 4 0 0 1 1
  0.21154627700      1.00000000000000
 2 1 1 6 1
  1063.14747320      0.00246908393200
  251.565070610      0.01977334552300
  80.4085548540      0.09098797667200
  29.7681932690      0.25559900413000
  11.7368305560      0.40489386764000
  4.71423752300      0.23693402558000
 3 1 1 3 1
  17.7968037040     -0.02787863961500
  2.42726986800      0.55672914668000
  0.96823445537      1.00554473500000
 3 1 1 1 1
  1.73304386000      1.00000000000000
 3 1 1 1 1
  0.37056694000      1.00000000000000
 3 2 2 4 1
  37.7133847230      0.01151383509200
  10.6929311840      0.06724634399600
  3.67284469900      0.21484207775000
  1.35885903030      0.38890892779000
 3 2 2 1 1
  0.86367514000      1.00000000000000
 3 2 2 1 1
  0.43183757000      1.00000000000000
 4 3 3 1 1
 0.562000000000      1.00000000000000

 V  pob-TZVP
 14
 1 0 0 8 1
  232340.65058      0.00023072410092
  34828.841170      0.00178881789620
  7926.5448691      0.00929924901310
  2243.7733046      0.03776146334700
  730.59322944      0.12255909662000
  262.32219631      0.28963508811000
  101.70403805      0.41004702955000
  40.064784617      0.21113610858000
 2 0 0 4 1
  255.24014968     -0.02445811633800
  78.804646961     -0.11527205366000
  12.340598946      0.55174749453000
  5.1742019219      0.54504528489000
 3 0 0 2 1
  7.6513894469     -0.22967638286000
  1.2639759898      0.71683769077000
 4 0 0 1 1
  2.0363959000      1.00000000000000
 4 0 0 1 1
  0.5857304500      1.00000000000000
 4 0 0 1 1
  0.2750729900      1.00000000000000
 2 1 1 6 1
  1184.2369151      0.00244498267290
  280.23075192      0.01964345446600
  89.643627137      0.09079694919000
  33.242411253      0.25650768222000
  13.144514452      0.40815393750000
  5.2948534140      0.23860378268000
 3 1 1 3 1
  20.175586851     -0.02824148902300
  2.7605865197      0.55574635619000
  1.1008900902      0.99319919270000
 3 1 1 1 1
  0.7153797600      1.00000000000000
 3 1 1 1 1
  0.2384599200      1.00000000000000
 3 2 2 4 1
  43.861134864      0.01148717423800
  12.516021891      0.06824715397700
  4.3313854957      0.21837784195000
  1.6138855773      0.39245212296000
 3 2 2 1 1
  0.5790593700      1.00000000000000
 3 2 2 1 1
  0.2143837300      1.00000000000000
 4 3 3 1 1
  0.8310000000      1.00000000000000

 Cr pob-TZVP
 14
 1 0 0 8 1
  254477.80704      0.00023386945693
  38131.797054      0.00181426018000
  8675.2930607      0.00943639257210
  2455.0099848      0.03834363936700
  799.16217787      0.12459194837000
  286.90021489      0.29489696029000
  111.25413232      0.41846149607000
  43.864152636      0.21633763420000
 2 0 0 4 1
  279.32669173     -0.02345090811100
  86.274732376     -0.11080370027000
  13.555756113      0.53028965842000
  5.6978112751      0.51603516947000
 3 0 0 2 1
  8.5636582615     -0.38109545675000
  1.3988296768      1.19915914360000
 4 0 0 1 1
  1.5142137900      1.00000000000000
 4 0 0 1 1
  0.5047379300      1.00000000000000
 4 0 0 1 1
  0.1505787700      1.00000000000000
 2 1 1 6 1
  1306.4398864      0.00242773261850
  309.25311441      0.01954404101700
  98.996273963      0.09065179455300
  36.756916451      0.25699279154000
  14.566657077      0.40935504891000
  5.8739937432      0.23729388849000
 3 1 1 3 1
  22.890999695     -0.02816602661300
  3.0855001822      0.56034120148000
  1.2132329118      0.98119019650000
 3 1 1 1 1
  0.4593168100      1.00000000000000
 3 1 1 1 1
  0.2296584050      1.0000000000000
 3 2 2 4 1
  43.720074476      0.01362296402600
  12.391242652      0.07893518013300
  4.2639442006      0.23833840000000
  1.5525221790      0.39526851122000
 3 2 2 1 1
  1.1288617700      1.00000000000000
 3 2 2 1 1
  0.5172623600      1.00000000000000
 4 3 3 1 1
  1.1470000000      1.00000000000000

 Mn pob-TZVP
 14
 1 0 0 8 1
  277185.00153      0.00022838385133
  41550.769890      0.00177076503750
  9455.9700152      0.00920772099940
  2676.5206482      0.03741597182500
  871.46687530      0.12164861426000
  312.98306420      0.28824392499000
  121.44454051      0.41041600847000
  47.922598829      0.21372375145000
 2 0 0 4 1
  303.66723163     -0.02458992614000
  93.881403187     -0.11602608038000
  14.879421214      0.55112059677000
  6.2865200745      0.53707560756000
 3 0 0 2 1
  9.4858591337     -0.22889262695000
  1.5698706158      0.71196169587000
 4 0 0 1 1
  2.1881832800      1.00000000000000
 4 0 0 1 1
  0.6599294200      1.00000000000000
 4 0 0 1 1
  0.1011885900      1.00000000000000
 2 1 1 6 1
  1444.7978182      0.0023994136455
  342.06551197      0.0193692868640
  109.58400891      0.0902361089880
  40.747988173      0.2574546785100
  16.188626566      0.4127235195800
  6.5484505964      0.2408770000700
 3 1 1 3 1
  25.357086437     -0.0287071740580
  3.4830168782      0.5520810071200
  1.3858800906      0.9722690137900
 3 1 1 1 1
  1.1854291400      1.0000000000000
 3 1 1 1 1
  0.5353715500      1.0000000000000
 3 2 2 4 1
  56.563189119      0.0115432452950
  16.278734711      0.0702998459870
  5.6964273914      0.2245077082100
  2.1411147942      0.3970306543400
 3 2 2 1 1
  0.7529196500      1.0000000000000
 3 2 2 1 1
  0.2283584800      1.0000000000000
 4 3 3 1 1
  1.3260000000      1.0000000000000

 Fe pob-TZVP
 14
 1 0 0 8 1
  300784.84637      0.00022806273096
  45088.970557      0.00176817887610
  10262.516317      0.00919270834900
  2905.2897293      0.03735549580700
  946.11487137      0.12151108426000
  339.87832894      0.28818881468000
  131.94425588      0.41126612677000
  52.111494077      0.21518583573000
 2 0 0 4 1
  329.48839267     -0.02474521647700
  101.92332739     -0.11683089050000
  16.240462745      0.55293621136000
  6.8840675801      0.53601640182000
 3 0 0 2 1
  10.470693782     -0.22912708577000
  1.7360039648      0.71159319984000
 4 0 0 1 1
  1.7565166800      1.00000000000000
 4 0 0 1 1
  0.77548354        1.00000000000000
 4 0 0 1 1
  0.1058918100      1.00000000000000
 2 1 1 6 1
  1585.3959970      0.00237939601790
  375.38006499      0.01925315475500
  120.31816501      0.09002183653600
  44.788749031      0.25798172356000
  17.829278584      0.41492649744000
  7.2247153786      0.24207474784000
 3 1 1 3 1
  28.143219756     -0.02904175515200
  3.8743241412      0.55312260343000
  1.5410752281      0.96771136842000
 3 1 1 1 1
  0.9336590800      1.00000000000000
 3 1 1 1 1
  0.1999999900      1.00000000000000
 3 2 2 4 1
  61.996675034      0.01197197225500
  17.873732552      0.07321013541000
  6.2744782934      0.23103094314000
  2.3552337175      0.39910706494000
 3 2 2 1 1
  0.8417158200      1.00000000000000
 3 2 2 1 1
  0.2611100300      1.00000000000000
 4 3 3 1 1
  1.5980000000      1.00000000000000

 Co pob-TZVP
 14
 1 0 0 8 1
  325817.01553      0.00022568462484
  48839.636453      0.00174993975330
  11114.937307      0.00910031340970
  3146.1603642      0.03699625683700
  1024.4378465      0.12044269621000
  368.02508816      0.28598731649000
  142.91229205      0.40908312004000
  56.482649209      0.21500145739000
 2 0 0 4 1
  356.40298318     -0.02476705967800
  110.31165215     -0.11702139134000
  17.659634834      0.55215522200000
  7.5059030479      0.53246877060000
 3 0 0 2 1
  11.501807176     -0.22942470077000
  1.9081994606      0.71180933514000
 4 0 0 1 1
  2.6083233500      1.00000000000000
 4 0 0 1 1
  0.7955677300      1.00000000000000
 4 0 0 1 1
  0.1356673700      1.00000000000000
 2 1 1 6 1
  1731.1369144      0.00239057676850
  409.91750438      0.01938299996700
  131.45648578      0.09090544850900
  48.987439714      0.26146681577000
  19.537078992      0.42157264570000
  7.9287281634      0.24571813557000
 3 1 1 3 1
  31.076017584     -0.02943806997300
  4.2835180697      0.55615568168000
  1.7022921563      0.96772195064000
 3 1 1 1 1
  1.1628100700      1.00000000000000
 3 1 1 1 1
  0.7018644100      1.00000000000000
 3 2 2 4 1
  68.140745239      0.01198384536000
  19.685241019      0.07368854047500
  6.9322128825      0.23085496779000
  2.6025125694      0.39281059225000
 3 2 2 1 1
  0.9207081800      1.00000000000000
 3 2 2 1 1
  0.2922317400      1.00000000000000
 4 3 3 1 1
  1.9030000000      1.00000000000000

 Ni pob-TZVP
 14
 1 0 0 8 1
  351535.72935      0.00022529386884
  52695.809283      0.00174686162230
  11992.468293      0.00908499921360
  3394.5776689      0.03694074844700
  1105.3594585      0.12032819950000
  397.14677769      0.28596715057000
  154.27542974      0.40983020196000
  61.018723780      0.21620642851000
 2 0 0 4 1
  384.45559739     -0.02465127926800
  119.04879199     -0.11658505277000
  19.137012223      0.54864126676000
  8.1526718562      0.52640051122000
 3 0 0 2 1
  12.579408642     -0.22797884293000
  2.0870866081      0.70703738215000
 4 0 0 1 1
  2.9480296700      1.00000000000000
 4 0 0 1 1
  0.87308901        1.00000000000000
 4 0 0 1 1
  0.16787354        1.00000000000000
 2 1 1 6 1
  1883.0907486      0.00237482584430
  445.95155320      0.01928945717200
  143.08430815      0.09071821150700
  53.372920722      0.26181414117000
  21.321919357      0.42309149832000
  8.6643561994      0.24641686015000
 3 1 1 3 1
  34.144255211     -0.02967712916300
  4.7122455921      0.55616824096000
  1.8709231845      0.96357766460000
 3 1 1 1 1
  1.0453650800      1.00000000000000
 3 1 1 1 1
  0.4276468400      1.00000000000000
 3 2 2 4 1
  74.591603465      0.01207745467200
  21.590632752      0.07463726215400
  7.6246142580      0.23236775502000
  2.8632206762      0.39042651680000
 3 2 2 1 1
  1.0075942000      1.00000000000000
 3 2 2 1 1
  0.3167209900      1.00000000000000
 4 3 3 1 1
  2.1740000000      1.00000000000000

 Cu pob-TZVP
 14
 1 0 0 8 1
  377518.79923      0.00022811766128
  56589.984311      0.00176880359310
  12878.711706      0.00919934602270
  3645.3752143      0.03741101643400
  1187.0072945      0.12189873737000
  426.46421902      0.28983900714000
  165.70660164      0.41531872174000
  65.598942707      0.21905799287000
 2 0 0 4 1
  414.41265811     -0.02468252505300
  128.32056039     -0.11716827406000
  20.622089750      0.55301315941000
  8.7821226045      0.52242718609000
 3 0 0 2 1
  13.741372006     -0.22736061821000
  2.2431246833      0.71761210873000
 4 0 0 1 1
  0.8152953200      1.00000000000000
 4 0 0 1 1
  0.4076476600      1.00000000000000
 4 0 0 1 1
  0.1768011100      1.00000000000000
 2 1 1 6 1
  2034.7596692      0.00235248222980
  481.90468106      0.01913407075100
  154.67482963      0.09017110527800
  57.740576969      0.26063284735000
  23.099052811      0.42093485770000
  9.3882478591      0.24344615121000
 3 1 1 3 1
  37.596171210     -0.02899109453000
  5.1240690810      0.54919083831000
  2.0119996085      0.93793330488000
 3 1 1 1 1
  1.4641814000      1.00000000000000
 3 1 1 1 1
  0.7320907000      1.00000000000000
 3 2 2 4 1
  74.129460637      0.01436321667600
  21.359842587      0.08662817709600
  7.4995240537      0.25631430541000
  2.7601394169      0.40374062368000
 3 2 2 1 1
  1.4592938300      1.00000000000000
 3 2 2 1 1
  0.6355722500      1.00000000000000
 4 3 3 1 1
  2.2330000000      1.00000000000000

 Zn pob-TZVP
 14
 1 0 0 8 1
  405924.31028      0.00022442017483
  60846.955735      0.00174020866260
  13847.343092      0.00905133395650
  3919.6158551      0.03681734144500
  1276.3594167      0.12004850256000
  458.67254435      0.28576057621000
  178.28725246      0.41087462062000
  70.612192837      0.21816962456000
 2 0 0 4 1
  443.88077950     -0.02493427498400
  137.55875267     -0.11817955766000
  22.268083479      0.55367318468000
  9.5217310606      0.52628934936000
 3 0 0 2 1
  14.874114065     -0.22929955254000
  2.4647517612      0.71135484742000
 4 0 0 1 1
  1.0113272200      1.00000000000000
 4 0 0 1 1
  0.322980200       1.00000000000000
 4 0 0 1 1
  0.1016731100      1.00000000000000
 2 1 1 6 1
  2205.3508534      0.00233562404480
  522.35300699      0.01903102263400
  167.73055542      0.08995575867500
  62.670045373      0.26113248631000
  25.109749456      0.42348448173000
  10.225142681      0.24618926885000
 3 1 1 3 1
  40.713442521     -0.03002966759200
  5.6247090696      0.55575254864000
  2.2279949116      0.95581013442000
 3 1 1 1 1
  1.1601141800      1.00000000000000
 3 1 1 1 1
  0.2624550000      1.00000000000000
 3 2 2 4 1
  88.554315311      0.01272817001500
  25.721525557      0.07939449984300
  9.1278367624      0.24491506805000
  3.4312364064      0.40390526479000
 3 2 2 1 1
  1.1861283200      1.00000000000000
 3 2 2 1 1
  0.4308920600      1.00000000000000
 4 3 3 1 1
  2.6140000000      1.00000000000000

 Ga pob-TZVP
 15
 1 0 0 8 1
  435548.66254      0.00023646329650
  65289.589031      0.00183352717760
  14858.784256      0.00953718630810
  4205.9734729      0.03880341246800
  1369.6416431      0.12661604848000
  492.30348905      0.30175310292000
  191.41923233      0.43543934218000
  75.840558665      0.23282363780000
 2 0 0 4 1
  474.30810613     -0.02674370795800
  147.10297560     -0.12654657542000
  23.982599435      0.58840346839000
  10.298230094      0.56324271589000
 3 0 0 2 1
  16.050381430     -0.24516439508000
  2.6988468784      0.74578049593000
 4 0 0 1 1
  1.1590064400      1.00000000000000
 4 0 0 1 1
  0.5763081300      1.00000000000000
 4 0 0 1 1
  0.2433825700      1.00000000000000
 2 1 1 6 1
  2432.0171070      0.00224340659280
  576.12049582      0.01834226533600
  185.11584354      0.08727969716700
  69.246572556      0.25684868351000
  27.818107777      0.42398378107000
  11.420229938      0.25701340043000
 3 1 1 3 1
  42.819661530     -0.01932651911900
  6.3885901000      0.31571386917000
  2.6698993326      0.57617792822000
 4 1 1 1 1
  1.0663932200      1.00000000000000
 4 1 1 1 1
  0.3641398200      1.00000000000000
 4 1 1 1 1
  0.1148217200      1.00000000000000
 3 2 2 5 1
  103.92331829      0.01146461365200
  30.371094389      0.07362574738300
  10.872078097      0.23505107382000
  4.1549137954      0.40318563513000
  1.5345659145      0.40824748152000
 4 2 2 1 1
  1.7915711500      1.00000000000000
 4 2 2 1 1
  0.7852028800      1.00000000000000
 4 2 2 1 1
  0.2830723400      1.00000000000000

 Ge pob-TZVP
 15
 1 0 0 8 1
  466115.00592      0.0002248726466
  69875.420762      0.0017435426729
  15903.276716      0.0090691482206
  4501.8233453      0.0369061746850
  1466.0570924      0.1205016790700
  527.07841728      0.2874864170300
  205.00395074      0.4162232188500
  81.251596065      0.2239784569500
 2 0 0 4 1
  505.74661282     -0.0251846092910
  156.96593744     -0.1189892972100
  25.761448176      0.5493013587000
  11.106654687      0.5293930912900
 3 0 0 2 1
  17.272059104     -0.2285459572800
  2.9438289048      0.6837793031700
 4 0 0 1 1
  1.2786569600      1.0000000000000
 4 0 0 1 1
  0.3368300500      1.0000000000000
 4 0 0 1 1
  0.16841502500     1.0000000000000
 2 1 1 6 1
  2633.9346241      0.0022143925310
  624.00161628      0.0181408991410
  200.58528404      0.0866321849220
  75.097081525      0.2564902059200
  30.214388474      0.4265861126200
  12.440087567      0.2620052731300
 3 1 1 3 1
  45.981316002     -0.0203217676780
  6.9945654416      0.3201374452700
  2.9686001327      0.5905101455500
 4 1 1 1 1
  1.2044364000      1.0000000000000
 4 1 1 1 1
  0.4237841000      1.0000000000000
 4 1 1 1 1
  0.2118920500      1.0000000000000
 3 2 2 5 1
  119.44887581      0.0105865445210
  35.062915293      0.0696012809450
  12.636924529      0.2280703528700
  4.8888672922      0.4030106722000
  1.8453195392      0.4130484701500
 4 2 2 1 1
  1.9531065900      1.0000000000000
 4 2 2 1 1
  0.6401807200      1.0000000000000
 4 2 2 1 1
  0.1305796200      1.0000000000000

 As pob-TZVP
 15
 1 0 0 8 1
  498032.42158      0.00022740196900
  74656.868743      0.00176328164130
  16990.960004      0.00917280403810
  4809.6200321      0.03733782934400
  1566.2887055      0.12199536117000
  563.21360499      0.29137475324000
  219.11179978      0.42326351479000
  86.866061030      0.22921464278000
 2 0 0 4 1
  538.19512479     -0.02525419729700
  167.14850224     -0.11915461115000
  27.605517159      0.54628495980000
  11.947858521      0.53001520976000
 3 0 0 2 1
  18.538023133     -0.23479188136000
  3.2018985739      0.69167053428000
 4 0 0 1 1
  1.7882833500      1.00000000000000
 4 0 0 1 1
  0.5960944500      1.00000000000000
 4 0 0 1 1
  0.2162856800      1.00000000000000
 2 1 1 6 1
  2678.9421546      0.00233189552870
  634.61765840      0.01904214997700
  203.93967606      0.09022974491300
  76.323890369      0.26169037693000
  30.664124943      0.41857168155000
  12.505056732      0.23447830190000
 3 1 1 4 1
  49.256229549     -0.02123553987000
  7.7274891466      0.30470206668000
  3.5410493476      0.52888373107000
  1.6985585501      0.37272250955000
 4 1 1 1 1
  0.8684807100      1.00000000000000
 4 1 1 1 1
  0.4172966600      1.00000000000000
 4 1 1 1 1
  0.1070219000      1.00000000000000
 3 2 2 5 1
  135.33289305      0.00992911441060
  39.860212744      0.06656884349600
  14.446428359      0.22275768307000
  5.6432900356      0.40309224382000
  2.1668188623      0.41671667946000
 4 2 2 1 1
  1.8975050400      1.00000000000000
 4 2 2 1 1
  0.9487525200      1.00000000000000
 4 2 2 1 1
  0.4743762600      1.00000000000000

 Se pob-TZVP
 15
 1 0 0 8 1
  531071.66696      0.00024108973168
  79603.044117      0.00186964314410
  18115.844240      0.00972716165360
  5127.8923194      0.03960479303100
  1669.9130839      0.12948855136000
  600.57534527      0.30959437289000
  233.70021247      0.45115769216000
  92.672443932      0.24579189033000
 2 0 0 4 1
  571.57513675     -0.02689570788100
  177.63686375     -0.12670989353000
  29.517767052      0.57699001719000
  12.824399795      0.56369075408000
 3 0 0 2 1
  19.848235841     -0.25132415534000
  3.4744018486      0.72905416980000
 4 0 0 1 1
  1.1988909800      1.00000000000000
 4 0 0 1 1
  0.2102537200      1.00000000000000
 4 0 0 1 1
  0.1000000000      1.00000000000000
 2 1 1 6 1
  2815.3500566      0.00255690268540
  666.92558298      0.02087402690100
  214.34213188      0.09877209625000
  80.246687942      0.28471821221000
  32.251081288      0.45003584934000
  13.106432562      0.24416091055000
 3 1 1 4 1
  53.366108516     -0.02155845627300
  8.1827777195      0.32662310638000
  3.6239945672      0.57740499319000
  1.6341591401      0.34301320826000
 4 1 1 1 1
  0.9841832000      1.00000000000000
 4 1 1 1 1
  0.4396626900      1.00000000000000
 4 1 1 1 1
  0.1000000000      1.00000000000000
 3 2 2 5 1
  151.82910279      0.00939702769880
  44.839992523      0.06408650399100
  16.328999510      0.21834238004000
  6.4305057612      0.40314789649000
  2.5048025169      0.41966491490000
 4 2 2 1 1
  1.1031689800      1.00000000000000
 4 2 2 1 1
  0.4307032000      1.00000000000000
 4 2 2 1 1
  0.21535160000     1.00000000000000

 Br pob-TZVP
 15
 1 0 0 8 1
  565073.25256      0.0002366031469
  84701.723179      0.0018348332508
  19276.271900      0.0095465849860
  5456.4284576      0.0388771421530
  1776.9503500      0.1271831423100
  639.19398276      0.3043766219100
  248.78823961      0.4449094049700
  98.678305494      0.2438164305800
 2 0 0 4 1
  606.07824568     -0.0265271587090
  188.45598484     -0.1248458480900
  31.497144506      0.5646868355900
  13.736008320      0.5555526856400
 3 0 0 2 1
  21.203212766     -0.2494092049300
  3.7616420178      0.7121311974300
 4 0 0 1 1
  1.4940008700      1.0000000000000
 4 0 0 1 1
  0.5908622600      1.0000000000000
 4 0 0 1 1
  0.1454311300      1.0000000000000
 2 1 1 6 1
  3019.6955723      0.0024971049798
  715.35481126      0.0204192675960
  229.98328751      0.0968971483090
  86.167844615      0.2805390125200
  34.667870802      0.4460639047300
  14.113870307      0.2441007392300
 3 1 1 4 1
  57.085653082     -0.0218559507100
  8.8193845840      0.3270707532000
  3.9340302872      0.5785522952000
  1.7998830384      0.3357098769800
 4 1 1 1 1
  1.5874541800      1.0000000000000
 4 1 1 1 1
  0.4896365520      1.0000000000000
 4 1 1 1 1
  0.150040570       1.0000000000000
 3 2 2 5 1
  168.85370257      0.0089663981988
  49.977949919      0.0620620593160
  18.274913338      0.2147473238400
  7.2455694631      0.4033533674600
  2.8562315025      0.4220881308000
 4 2 2 1 1
  1.0111406400      1.0000000000000
 4 2 2 1 1
  0.4296930700      1.0000000000000
 4 2 2 1 1
  0.2143006900      1.0000000000000

# Augmentation sets based on MOLOPT exponents
########################################################################################################################
#01_H   04_Be  06_C  08_O  11_Na  13_Al  15_P  17_Cl  20_Ca  22_Ti  24_Cr  26_Fe  28_Ni  30_Zn  32_Ge  34_Se
#03_Li  05_B   07_N  09_F  12_Mg  14_Si  16_S  19_K   21_Sc  23_V   25_Mn  27_Co  29_Cu  31_Ga  33_As  35_Br
########################################################################################################################
 H  plus-pob-TZVP
 1
 2 0 0 1 1
  0.082193184441    1.00000000000

 Li plus-pob-TZVP
 1
 2 0 0 1 1
  0.032613166298    1.00000000000000

 Be plus-pob-TZVP
 1
 2 0 0 1 1
 0.074144067364      1.00000000000000

 B  plus-pob-TZVP
 1
 2 0 1 1 1 1
  0.101655384143     1.00000000000000     1.00000000000000

 C  plus-pob-TZVP
 2
 2 0 1 1 1 1
  0.075144725465     1.00000000000000     1.00000000000000
 2 0 0 1 1
  0.030286753006     1.00000000000000

 N  plus-pob-TZVP
 2
 2 0 1 1 1 1
  0.084582888713    1.0000000000000       1.00000000000000
 2 0 0 1 1
  0.039193834928     1.00000000000000

 O  plus-pob-TZVP
 2
 2 0 0 1 1
  0.142977330880     1.00000000000000
 2 0 1 1 1 1
  0.046760918300    1.0000000000000       1.00000000000000

 F  plus-pob-TZVP
 2
 2 0 0 1 1
  0.157658905678     1.00000000000000
 2 0 1 1 1 1
  0.048130255107    1.0000000000000       1.00000000000000

 Na plus-pob-TZVP
 1
 3 0 1 1 1 1
  0.049895108245     1.00000000000000     1.00000000000000

 Mg plus-pob-TZVP
 2
 3 0 0 1 1
  0.168626419621     1.00000000000000
 3 0 1 1 1 1
  0.059428253135     1.00000000000000     1.0000000000000

 Al plus-pob-TZVP
 2
 3 0 0 1 1
  0.242418503788     1.00000000000000
 3 0 1 1 1 1
  0.078268495175     1.00000000000000     1.000000000000

 Si plus-pob-TZVP
 2
 3 0 0 1 1
  0.139986977410    1.00000000000000
 3 0 1 1 1 1
  0.068212286977    1.00000000000000    1.0000000000

 P  plus-pob-TZVP
 1
 3 0 1 1 1 1
  0.075778343330     1.0000000000000    1.0000000000

 S  plus-pob-TZVP
 1
 3 0 1 1 1 1
  0.070570776865   1.00000000000000     1.0000000000

 Cl plus-pob-TZVP
 1
 3 0 1 1 1 1
  0.089684813445    1.00000000000000    1.0000000000

 K  plus-pob-TZVP
 1
 4 0 1 1 1 1
  0.03685406000      1.00000000000000   1.0000000000

 Ca plus-pob-TZVP
 1
 4 0 1 1 1 1
  0.05500016000      1.00000000000000   1.00000000000

 Sc plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.05442881000      1.00000000000000    1.000000000  1.00000000

 Ti plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.07707846000      1.00000000000000    1.000000000  1.00000000

 V  plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.06739027000      1.00000000000000    1.000000000  1.00000000

 Cr plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.09628516000      1.00000000000000    1.000000000  1.00000000

 Mn plus-pob-TZVP
 1
 4 1 2 1 1 1
  0.1019242300      1.00000000000000     1.0000000000

 Fe plus-pob-TZVP
 1
 4 1 2 1 1 1
  0.1034740500      1.00000000000000     1.0000000000

 Co plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0958401800      1.00000000000000     1.0000000000   1.00000000

 Ni plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0994657700      1.00000000000000     1.0000000000   1.00000000

 Cu plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0616842300      1.00000000000000     1.0000000000   1.00000000

 Zn plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0798300500      1.00000000000000     1.0000000000   1.00000000

 Ga plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0765616700      1.00000000000000     1.0000000000   1.00000000

 Ge plus-pob-TZVP
 1
 4 0 1 1 1 1
  0.1107399300      1.00000000000000     1.0000000000

 As plus-pob-TZVP
 1
 4 0 0 1 1
  0.0979818600      1.00000000000000

 Se plus-pob-TZVP
 0
 4 0 0 0 0

 Br plus-pob-TZVP
 1
 4 0 0 1 1
  0.1158870400      1.00000000000000

#  pob-DZVP
# Elements                             References
# --------                             ----------
# H Li Be B C N O F Na Mg Al Si P S Cl K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br         Peintinger, M. F., Oliveira, D. V. and Bredow, T. , Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations. Priv. Commun.
#
# HYDROGEN
H  pob-DZVP
  3
  1  0  0  3  1
    24.62344998        0.01857031
    3.640664800        0.14010862
    0.773177290        0.55558583
  1  0  0  1  1
    0.196065500        1.00000000
  1  1  1  1  1
    0.184819860        1.00000000
# LITHIUM
Li  pob-DZVP
  4
  1  0  0  5  1
    266.277855160     0.006492015033
    40.0697834470     0.047747863215
    9.05599443890     0.202687961110
    2.45030090510     0.486065748170
    0.72209571855     0.436269779550
  1  0  0  1  1
    0.39888728000     1.000000000000
  1  0  0  1  1
    0.15000386000     1.000000000000
  1  1  1  1  1
    0.20621187000     1.000000000000
# BERYLLIUM
Be  pob-DZVP
  4
  1  0  0  5  1
    515.18616125     0.005561530798
    77.511037595     0.041190068062
    17.552481693     0.179133781080
    4.8028940596     0.447367164550
    1.4516214316     0.420095819200
  1  0  0  1  1
    0.3001210300     1.000000000000
  1  0  0  1  1
    0.1409622900     1.000000000000
  1  1  1  1  1
    0.6951546600     1.000000000000
# BORON
B  pob-DZVP
  6
  1  0  0  5  1
    839.31830086     -0.0055929201074
    126.26464843     -0.0415655207710
    28.620600763     -0.1829981698300
    7.8793722710     -0.4654039186600
    2.4088857172     -0.4417388479100
  1  0  0  1  1
    1.0283121300      1.0000000000000
  1  0  0  1  1
    0.2245461000      1.0000000000000
  1  1  1  3  1
    6.0332223619     -0.0356036724560
    1.2499157866     -0.1989577576900
    0.3387167635     -0.5085020261800
  1  1  1  1  1
    0.2288434900      1.0000000000000
  1  2  2  1  1
    0.5683718000      1.0000000000000
# CARBON
C  pob-DZVP
  6
  1  0  0  5  1
    1238.40169380       0.0054568832082
    186.290049920       0.0406384092110
    42.2511763460       0.1802559388800
    11.6765579320       0.4631512175500
    3.59305064820       0.4408717331400
  1  0  0  1  1
    0.46866670000       1.0000000000000
  1  0  0  1  1
    0.23547146000       1.0000000000000
  1  1  1  3  1
    9.46809706210       0.0383878717280
    2.01035451420       0.2111702511200
    0.54771004707       0.5132817211400
  1  1  1  1  1
    0.21046214000       1.0000000000000
  1  2  2  1  1
    0.52857792000       1.0000000000000
# NITROGEN
N  pob-DZVP
  6
  1  0  0  5  1
    1712.8415853     -0.0053934125305
    257.64812677     -0.0402215811180
    58.458245853     -0.1793114499000
    16.198367905     -0.4637631782300
    5.0052600809     -0.4417142266200
  1  0  0  1  1
    0.6348591000      1.0000000000000
  1  0  0  1  1
    0.2108223500      1.0000000000000
  1  1  1  3  1
    13.571470233     -0.0400723988520
    2.9257372874     -0.2180704502800
    0.7992775075     -0.5129446604900
  1  1  1  1  1
    0.2391884400      1.0000000000000
  1  2  2  1  1
    0.5119810200      1.0000000000000
# OXYGEN
O  pob-DZVP
  6
  1  0  0  5  1
    2266.1767785      -0.005343180993
    340.87010191      -0.039890039230
    77.363135167      -0.178539119850
    21.479644940      -0.464276849590
    6.6589433124      -0.443097451720
  1  0  0  1  1
    0.8478937000       1.000000000000
  1  0  0  1  1
    0.2790534900       1.000000000000
  1  1  1  3  1
    17.721504317       0.043394573193
    3.8635505440       0.230941207650
    1.0480920883       0.513753110640
  1  1  1  1  1
    0.2623818000       1.000000000000
  1  2  2  1  1
    0.4790426200       1.000000000000
# FLUORINE
F  pob-DZVP
  6
  1  0  0  5  1
    2894.8325990     -0.0053408255515
    435.41939120     -0.0399042588660
    98.843328866     -0.1791276803800
    27.485198001     -0.4675809082500
    8.5405498171     -0.4465313102000
  1  0  0  1  1
    1.1206217000      1.0000000000000
  1  0  0  1  1
    0.3778534100      1.0000000000000
  1  1  1  3  1
    22.696633924     -0.0452128744360
    4.9872339257     -0.2375431706700
    1.3491613954     -0.5128735358700
  1  1  1  1  1
    0.3184307600      1.0000000000000
  1  2  2  1  1
    1.2725609300      1.0000000000000
# SODIUM
Na  pob-DZVP
  7
  1  0  0  5  1
    4098.2003908     -0.0058535911879
    616.49374031     -0.0436471618720
    139.96644001     -0.1943146588400
    39.073441051     -0.4868506573100
    11.929847205     -0.4188170513700
  1  0  0  3  1
    20.659966030      0.0859496898540
    1.9838860978     -0.5635914404100
    0.6483632394     -0.5195400904800
  1  0  0  1  1
    0.2501479300      1.0000000000000
  1  0  0  1  1
    0.1200013100      1.0000000000000
  1  1  1  5  1
    75.401862017      0.0154353625320
    17.274818978      0.0997382931840
    5.1842347425      0.3120959396600
    1.6601211973      0.4929567480700
    0.5123252896      0.3242039831800
  1  1  1  1  1
    0.1500052600      1.0000000000000
  1  2  2  1  1
    0.2522706400      1.0000000000000
# MAGNESIUM
Mg  pob-DZVP
  7
  1  0  0  5  1
    4953.8339196     -0.0057778967498
    745.18044154     -0.0431247610820
    169.21604972     -0.1926821698700
    47.300672019     -0.4864143911600
    14.461336973     -0.4255089407700
  1  0  0  3  1
    24.768174789      0.0879569699840
    2.4940945349     -0.5516505812800
    0.8780758453     -0.5344329483300
  1  0  0  1  1
    0.3450688700      1.0000000000000
  1  0  0  1  1
    0.1500539900      1.0000000000000
  1  1  1  5  1
    98.053010494     -0.0144805646010
    22.586932277     -0.0954957507870
    6.8391509842     -0.3078767265100
    2.2332843818     -0.4993629288600
    0.7160659939     -0.3150347621300
  1  1  1  1  1
    0.2469232300      1.0000000000000
  1  2  2  1  1
    0.4148382900      1.0000000000000
# ALUMINUM
Al  pob-DZVP
  8
  1  0  0  5  1
    5887.5727030      0.0013483347987
    885.61225996      0.0100715768090
    201.13604899      0.0451324540560
    56.284974674      0.1146126804300
    17.229551243      0.1015960894300
  1  0  0  3  1
    29.340249922      0.0693474542080
    3.0439630420     -0.4252811767900
    1.1285539518     -0.4144983221000
  1  0  0  1  1
    0.7834298000      1.0000000000000
  1  0  0  1  1
    0.1440019200      1.0000000000000
  1  1  1  5  1
    145.11918809      0.0063963373134
    33.717894833      0.0441893599650
    10.369863083      0.1558157599300
    3.5135616036      0.2863528695100
    1.1980050273      0.2292142324800
  1  1  1  1  1
    0.3200672400      1.0000000000000
  1  1  1  1  1
    0.1500336200      1.0000000000000
  1  2  2  1  1
    0.1530089300      1.0000000000000
# SILICON
Si  pob-DZVP
  8
  1  0  0  5  1
    6903.7118686      0.0013373962995
    1038.4346419      0.0099966546241
    235.87581480      0.0449101651010
    66.069385169      0.1146363854000
    20.247945761      0.1028006385800
  1  0  0  3  1
    34.353481730      0.0708372850100
    3.6370788192     -0.4302883625200
    1.4002048599     -0.4138277496900
  1  0  0  1  1
    0.6071355100      1.0000000000000
  1  0  0  1  1
    0.1560972800      1.0000000000000
  1  1  1  5  1
    179.83907373      0.0061916656462
    41.907258846      0.0433994319820
    12.955294367      0.1563201935100
    4.4383267393      0.2941999698200
    1.5462247904      0.2353682381400
  1  1  1  1  1
    0.3738706200      1.0000000000000
  1  1  1  1  1
    0.1400744900      1.0000000000000
  1  2  2  1  1
    0.3500000000      1.0000000000000
# PHOSPHOROUS
P  pob-DZVP
  8
  1  0  0  5  1
    8002.4795106       0.0057503489302
    1203.6813590       0.0430076289590
    273.44227031       0.1936398625200
    76.655541517       0.4965169339900
    23.516927435       0.4498326247900
  1  0  0  3  1
    39.791683439       0.0951881297890
    4.2770343323      -0.5764984036800
    1.6940256888      -0.5423958386500
  1  0  0  1  1
    0.8995735800       1.0000000000000
  1  0  0  1  1
    0.2876874300       1.0000000000000
  1  1  1  5  1
    219.50755823       0.0092100565257
    51.274155030       0.0654097657450
    15.921595892       0.2403373027900
    5.5069913481       0.4631832178800
    1.9537719426       0.3739256338200
  1  1  1  1  1
    0.5526276500       1.0000000000000
  1  1  1  1  1
    0.1635434500       1.0000000000000
  1  2  2  1  1
    0.4500000000       1.0000000000000
# SULFUR
S  pob-DZVP
  8
  1  0  0  5  1
    9184.9303010      -0.0022294387756
    1381.5105503      -0.0166830299370
    313.87147580      -0.0752624361160
    88.053870623      -0.1937682703800
    27.039914905      -0.1771802080300
  1  0  0  3  1
    45.648731303      -0.1073606257300
    4.9664522326       0.6506629301800
    2.0116242047       0.5971215535400
  1  0  0  1  1
    0.3846557700       1.0000000000000
  1  0  0  1  1
    0.1485543300       1.0000000000000
  1  1  1  5  1
    261.98233439      -0.0092729929822
    61.306894736      -0.0665476692410
    19.103729887      -0.2482859590300
    6.6567720378      -0.4870384740200
    2.3959635161      -0.3933785031200
  1  1  1  1  1
    0.6742097700       1.0000000000000
  1  1  1  1  1
    0.1697373600       1.0000000000000
  1  2  2  1  1
    0.1500000000       1.0000000000000
# CHLORINE
Cl  pob-DZVP
  8
  1  0  0  5  1
    10449.827566      0.0019708362484
    1571.7365221      0.0147547279770
    357.12065523      0.0666791128750
    100.25185935      0.1722892408400
    30.812727554      0.1588378610000
  1  0  0  3  1
    51.923789434     -0.1000929890900
    5.7045760975      0.6084175275300
    2.3508376809      0.5435215335500
  1  0  0  1  1
    0.5111756700      1.0000000000000
  1  0  0  1  1
    0.1916276100      1.0000000000000
  1  1  1  5  1
    307.66790569     -0.0087801484118
    72.102015515     -0.0635633554710
    22.532680262     -0.2401642827600
    7.8991765444     -0.4779886655700
    2.8767268321     -0.3851585000500
  1  1  1  1  1
    1.1066398400      1.0000000000000
  1  1  1  1  1
    0.2588839100      1.0000000000000
  1  2  2  1  1
    0.6513145300      1.0000000000000
# POTASSIUM
K  pob-DZVP
  9
  1  0  0  6  1
    31478.746764       0.0039838653994
    4726.8876066       0.0305017597620
    1075.4345353       0.1507375262200
    303.39811023       0.5191293980100
    98.327112831       1.0366957005000
    33.636222177       0.7639896319900
  1  0  0  3  1
    65.639209962      -0.2824261710600
    7.3162592218       1.6914935860000
    2.8902580135       1.2965331953000
  1  0  0  3  1
    4.5459748965      -0.0076343555273
    0.7040412406       0.0256357189600
    0.28266888959       0.0166068592080
  1  0  0  1  1
    0.2905816400       1.0000000000000
  1  0  0  1  1
    0.1300423900       1.0000000000000
  1  1  1  5  1
    361.22492154       0.0209064798230
    84.670222166       0.1504364174000
    26.469088236       0.5544006107700
    9.2658077615       1.0409009991000
    3.3423388293       0.6782534119400
  1  1  1  3  1
    1.5100876104       0.7524819114600
    0.5656837516       1.3708585031000
    0.2081700850       0.6604763307900
  1  1  1  1  1
    0.1517370000       1.0000000000000
  1  2  2  1  1
    0.3966958300       1.0000000000000
# CALCIUM
Ca  pob-DZVP
  9
  1  0  0  6  1
    35138.713929      0.003948252074
    5276.4111348      0.030234243552
    1200.4692589      0.149520196810
    338.71810542      0.515973457130
    109.85385922      1.033951029600
    37.608880299      0.769379335260
  1  0  0  3  1
    73.107977555     -0.282685250110
    8.2407705688      1.679609214200
    3.2959812993      1.280376601600
  1  0  0  3  1
    5.23418009140    -0.007686860456
    0.84187220515     0.025382375978
    0.36510294029     0.016512171511
  1  0  0  1  1
    0.3207089200      1.000000000000
  1  0  0  1  1
    0.1400001600      1.000000000000
  1  1  1  5  1
    413.11313893      0.020327135354
    96.935786224      0.147302763620
    30.372154659      0.548871673220
    10.684776830      1.044065981800
    3.8821258350      0.686534906840
  1  1  1  3  1
    1.7993016295      0.754102468710
    0.6918905653      1.340929659900
    0.2636402410      0.563919894350
  1  1  1  1  1
    0.1400000000      1.000000000000
  1  2  2  1  1
    0.5251112100      1.000000000000
# SCANDIUM
Sc  pob-DZVP
  11
  1  0  0  6  1
    38956.081804      0.0039293205858
    5849.5733637      0.0300932212290
    1330.8813154      0.1489037095000
    375.55534165      0.5146428290600
    121.87261370      1.0337708070000
    41.760243729      0.7743685162700
  1  0  0  3  1
    81.060633953     -0.2831855231600
    9.2059823972      1.6770806984000
    3.7063215732      1.2594733678000
  1  0  0  3  1
    5.9888909988     -0.0077821367493
    0.9736343238      0.0254996927450
    0.4204101922      0.0161915608200
  1  0  0  1  1
    0.4103497400      1.0000000000000
  1  0  0  1  1
    0.1400237900      1.0000000000000
  1  1  1  5  1
    466.31481262      0.0199843003900
    109.51217097      0.1456104307200
    34.375921827      0.5468746622300
    12.142096955      1.0479006012000
    4.4336767669      0.6889489032700
  1  1  1  3  1
    2.0971291866      0.7561921472400
    0.8097760696      1.3178212235000
    0.3083404659      0.5431226817300
  1  1  1  1  1
    0.2103537500      1.0000000000000
  1  2  2  4  1
    19.240334928      0.0270390821440
    5.1178995899      0.1380368474300
    1.6554278827      0.3486908640300
    0.5401635561      0.4859418571700
  1  2  2  1  1
    0.1611818500      1.0000000000000
  1  3  3  1  1
    0.3450000000      1.0000000000000
# TITANIUM
Ti  pob-DZVP
  11
  1  0  0  6  1
    42961.5121850       0.0039127635355
    6450.97591690       0.0299698204890
    1467.72109150       0.1483635270700
    414.209973550       0.5134728532400
    134.487158400       1.0335365483000
    46.1222097960       0.7785423393000
  1  0  0  3  1
    89.4477625430      -0.2838540125900
    10.2233460600       1.6772785333000
    4.13537742710       1.2411928456000
  1  0  0  3  1
    6.78961814520      -0.0078399994518
    1.11067306910       0.0254954930190
    0.47565975578       0.0160611728920
  1  0  0  1  1
    0.31748035000       1.0000000000000
  1  0  0  1  1
    0.15000110000       1.0000000000000
  1  1  1  5  1
    522.036847820       0.0197541796420
    122.686494890       0.1446067761900
    38.5729036110       0.5466900416500
    13.6721693190       1.0531647540000
    5.01185293590       0.6911121336300
  1  1  1  3  1
    2.41319282820       0.7580343713600
    0.93252270050       1.3036241399000
    0.35429058390       0.5363865330000
  1  1  1  1  1
    0.25003159000       1.0000000000000
  1  2  2  4  1
    23.4651259570       0.0265363801150
    6.33325938320       0.1379645396300
    2.07664899460       0.3531264422800
    0.69027361954       0.4864712416600
  1  2  2  1  1
    0.18915399000       1.0000000000000
  1  3  3  1  1
    0.56200000000       1.0000000000000
# VANADIUM
V  pob-DZVP
  11
  1  0  0  6  1
    47160.376060      0.0014498688908
    7081.4110871      0.0111064352510
    1611.1621223      0.0550054235850
    454.72940551      0.1906025259100
    147.71321208      0.3843502295700
    50.699538950      0.2909554679200
  1  0  0  3  1
    98.262492669     -0.1094233785600
    11.294293099      0.6453949039900
    4.5853360105      0.4711788077700
  1  0  0  3  1
    7.6359689588     -0.2045494905400
    1.2539836689      0.5259485276400
    0.5327193539      0.2556058274800
  1  0  0  1  1
    0.4384774900      1.0000000000000
  1  0  0  1  1
    0.1969337700      1.0000000000000
  1  1  1  5  1
    580.55044988      0.0097315110917
    136.52341127      0.0715312411370
    42.983958820      0.2719768841400
    15.282798763      0.5261898889300
    5.6202495154      0.3445253349800
  1  1  1  3  1
    2.7485386415      0.3404039649600
    1.0618550073      0.5798399612000
    0.4023551865      0.2391164308300
  1  1  1  1  1
    0.2914552600      1.0000000000000
  1  2  2  4  1
    27.358434017      0.0266419270500
    7.4540604253      0.1399531172600
    2.4633917847      0.3575106663900
    0.8248092528      0.4848835414800
  1  2  2  1  1
    0.1669591800      1.0000000000000
  1  3  3  1  1
    0.5310000000      1.0000000000000
# CHROMIUM
Cr  pob-DZVP
  11
  1  0  0  6  1
    51528.0863490      0.0014405823106
    7737.21034870      0.0110362022870
    1760.37484700      0.0546766518060
    496.877065440      0.1896503810300
    161.465205980      0.3829541285000
    55.4663522680      0.2909005066800
  1  0  0  3  1
    107.547329990     -0.1093228110000
    12.4086718970      0.6447259947100
    5.04236288260      0.4626271256000
  1  0  0  3  1
    8.54616401650     -0.2271101328600
    1.39004412210      0.7330152759100
    0.56066602876      0.4422556543300
  1  0  0  1  1
    0.48497949000      1.0000000000000
  1  0  0  1  1
    0.14539019000      1.0000000000000
  1  1  1  5  1
    640.485360960      0.0096126715203
    150.697111940      0.0708898346550
    47.5037552960      0.2706525899000
    16.9341201650      0.5243734341400
    6.24096805900      0.3410799471400
  1  1  1  3  1
    3.08854632060      0.3397398690300
    1.17910477690      0.5727206292700
    0.43369774432      0.2458272820600
  1  1  1  1  1
    0.33254991000      1.0000000000000
  1  2  2  4  1
    27.5594794260      0.0306124880440
    7.46870203270      0.1559327094400
    2.43459035740      0.3698442127600
    0.78244754808      0.4707111807700
  1  2  2  1  1
    0.21679761000      1.0000000000000
  1  3  3  1  1
    1.14700000000      1.0000000000000
# MANGANESE
Mn  pob-DZVP
  11
  1  0  0  6  1
    56137.0090370      0.0014321304702
    8429.20639430      0.0109725091620
    1917.82772330      0.0543824687120
    541.362301980      0.1888433512900
    176.000691420      0.3819802505400
    60.5004770100      0.2915677259600
  1  0  0  3  1
    117.172828820     -0.1093366132800
    13.5969733680      0.6430503943100
    5.54839963410      0.4584897058400
  1  0  0  3  1
    9.46628535300     -0.2253897725900
    1.55950060700      0.7230775865700
    0.65230205868      0.4530072153600
  1  0  0  1  1
    0.32978445000      1.0000000000000
  1  0  0  1  1
    0.14042718000      1.0000000000000
  1  1  1  5  1
    706.004975350      0.0095055518167
    166.197288200      0.0703562711420
    52.4520619060      0.2700555698200
    18.7469328620      0.5257434460200
    6.92829916220      0.3425403322300
  1  1  1  3  1
    3.47722049380      0.3399407373600
    1.34069064490      0.5720383625400
    0.50498803038      0.2384760583100
  1  1  1  1  1
    0.21289599000      1.0000000000000
  1  2  2  4  1
    35.4232649350      0.0269853041110
    9.78142214510      0.1438345864800
    3.26734887670      0.3641895837700
    1.10264721890      0.4815267066100
  1  2  2  1  1
    0.32317618000      1.0000000000000
  1  3  3  1  1
    1.12600000000      1.0000000000000
# IRON
Fe  pob-DZVP
  11
  1  0  0  6  1
    60923.640643       0.0014302254466
    9147.8893982       0.0109587900380
    2081.3505927       0.0543325542480
    587.55977067       0.1888499500900
    191.09043990       0.3825306994600
    65.732730112       0.2930833598400
  1  0  0  3  1
    127.25891928      -0.1096456492500
    14.830913010       0.6438763133200
    6.0653307408       0.4547234732300
  1  0  0  3  1
    10.449943710      -0.2253963995200
    1.7245228003       0.7216439815600
    0.7177217733       0.4498549292200
  1  0  0  1  1
    0.5185142600       1.0000000000000
  1  0  0  1  1
    0.1411818500       1.0000000000000
  1  1  1  5  1
    773.43750995       0.0094325735144
    182.15149714       0.0700296205750
    57.547272758       0.2699365199600
    20.614988935       0.5270001104700
    7.6348557890       0.3428414802800
  1  1  1  3  1
    3.8719327990       0.3397440298800
    1.4924724132       0.5684259400500
    0.5606128496       0.2364936583900
  1  1  1  1  1
    0.4057599100       1.0000000000000
  1  2  2  4  1
    38.968133419       0.0278796643820
    10.800067078       0.1485831998200
    3.6136457999       0.3690547949600
    1.2129967888       0.4774510088300
  1  2  2  1  1
    0.3292804600       1.0000000000000
  1  3  3  1  1
    1.5980000000       1.0000000000000
# COBALT
Co  pob-DZVP
  11
  1  0  0  6  1
    65902.208257      0.0014284614936
    9895.3896027      0.0109460727830
    2251.4305789      0.0542859538900
    635.61097084      0.1888517907900
    206.78820681      0.3830163499400
    71.179242971      0.2944355126600
  1  0  0  3  1
    137.77268040     -0.1099022173600
    16.118079243      0.6445553739500
    6.6030327710      0.4511678792400
  1  0  0  3  1
    11.479915788     -0.2259384691000
    1.8956426324      0.7223140900800
    0.7846623207      0.4490381229600
  1  0  0  1  1
    0.4348075800      1.0000000000000
  1  0  0  1  1
    0.2101019300      1.0000000000000
  1  1  1  5  1
    843.64358575      0.0093866097254
    198.76386994      0.0698802087160
    62.854963098      0.2703707034500
    22.562842280      0.5290478688000
    8.3713209127      0.3435702957900
  1  1  1  3  1
    4.2858719800      0.3402799903600
    1.6508041817      0.5669339238400
    0.6183423110      0.2361797978300
  1  1  1  1  1
    0.1630982500      1.0000000000000
  1  2  2  4  1
    42.927867612      0.0284877883650
    11.942533053      0.1520695128300
    4.0046495664      0.3731091399900
    1.3413193804      0.4754983767600
  1  2  2  1  1
    0.2886814600      1.0000000000000
  1  3  3  1  1
    1.9030000000      1.0000000000000
# NICKEL
Ni  pob-DZVP
  11
  1  0  0  6  1
    71074.803211      0.001426038673
    10672.020941      0.010928236994
    2428.1389007      0.054212626938
    685.53595148      0.188747689020
    223.10072863      0.383246169850
    76.842014042      0.295506371440
  1  0  0  3  1
    148.71122016     -0.110144430590
    17.459154987      0.645214269880
    7.1625280665      0.447978381030
  1  0  0  3  1
    12.556137125     -0.226454032240
    2.0735740488      0.723209592860
    0.8538264060      0.448680264760
  1  0  0  1  1
    0.4174245700      1.000000000000
  1  0  0  1  1
    0.1404726200      1.000000000000
  1  1  1  5  1
    916.73608662      0.009343963561
    216.06139913      0.069737374902
    68.383914817      0.270734950120
    24.593843952      0.530783015490
    9.1392960204      0.344102294380
  1  1  1  3  1
    4.7193371746      0.340760820160
    1.8161849234      0.565801696110
    0.6784075072      0.236167173610
  1  1  1  1  1
    0.4119464100      1.000000000000
  1  2  2  4  1
    47.093832108      0.028982316948
    13.146463975      0.154949959500
    4.4170548925      0.376331151110
    1.4771565078      0.473650960140
  1  2  2  1  1
    0.4238000700      1.000000000000
  1  3  3  1  1
    2.1740000000      1.000000000000
# COPPER
Cu  pob-DZVP
  11
  1  0  0  6  1
    76381.348056      0.0014336079896
    11468.777499      0.0109867498650
    2609.4246495      0.0545136524650
    736.75033098      0.1899012825800
    239.82419958      0.3858195921100
    82.656829252      0.2979060749800
  1  0  0  3  1
    160.13544196     -0.1114677856700
    18.834177695      0.6534930103100
    7.7176595741      0.4477053442100
  1  0  0  3  1
    13.710846717     -0.2287091112200
    2.2349895670      0.7346442303100
    0.8781836006      0.4327307087400
  1  0  0  1  1
    0.7389003700      1.0000000000000
  1  0  0  1  1
    0.1720064700      1.0000000000000
  1  1  1  5  1
    991.24075782      0.0093878498798
    233.69376116      0.0702082824580
    74.020930927      0.2732352222000
    26.664967447      0.5358079272800
    9.9192087478      0.3457579490600
  1  1  1  3  1
    5.1519553926      0.3422910808300
    1.9638205828      0.5645659248400
    0.7156009704      0.2407858431800
  1  1  1  1  1
    0.3579068100      1.0000000000000
  1  2  2  4  1
    47.335049590      0.0323755477580
    13.161666077      0.1681021868400
    4.3693777244      0.3847770798200
    1.4132925109      0.4614788017800
  1  2  2  1  1
    0.3231420000      1.0000000000000
  1  3  3  1  1
    2.2330000000      1.0000000000000
# ZINC
Zn  pob-DZVP
  11
  1  0  0  6  1
    82000.711629      0.001421076400
    12312.471777      0.010891499487
    2801.3944193      0.054057188059
    790.99424302      0.188474639040
    257.56551079      0.383465493460
    88.814933400      0.297237941970
  1  0  0  3  1
    171.86353716     -0.110518495230
    20.302534785      0.646077169840
    8.3464123068      0.442201173220
  1  0  0  3  1
    14.847536940     -0.227053092780
    2.4495029507      0.724332179350
    0.9984582182      0.448364955920
  1  0  0  1  1
    0.4816363300      1.000000000000
  1  0  0  1  1
    0.1957354600      1.000000000000
  1  1  1  5  1
    1071.5185372      0.009276779724
    252.69712152      0.069541149430
    80.100829126      0.271567725640
    28.903393172      0.534013555730
    10.768899879      0.345013234460
  1  1  1  3  1
    5.6446212530      0.341296001640
    2.1678291347      0.563905219730
    0.8054089834      0.236761097350
  1  1  1  1  1
    0.2717229500      1.000000000000
  1  2  2  4  1
    56.088939191      0.029588869140
    15.751908917      0.158725714040
    5.3115812367      0.379762291590
    1.7737904917      0.468989591720
  1  2  2  1  1
    0.5008942200      1.000000000000
  1  3  3  1  1
    2.6140000000      1.000000000000
# GALLIUM
Ga  pob-DZVP
  12
  1  0  0  6  1
    87842.126296      0.0014271588798
    13189.496402      0.0109388940970
    3000.9482141      0.0543082001270
    847.38425966      0.1895105598300
    276.00980642      0.3861518591800
    95.216672071      0.3005108271900
  1  0  0  3  1
    184.00703968     -0.1112446196300
    21.827051433      0.6483132291800
    9.0026963761      0.4435838359400
  1  0  0  3  1
    16.033176938     -0.2301429955500
    2.6707724878      0.7294686151600
    1.1252834170      0.4621497695100
  1  0  0  1  1
    0.9338577400      1.0000000000000
  1  0  0  1  1
    0.1574498300      1.0000000000000
  1  1  1  5  1
    1167.2665844      0.0090974021307
    275.38062789      0.0684562733430
    87.375073070      0.2692229388800
    31.597254670      0.5350789788200
    11.824122798      0.3527906276000
  1  1  1  3  1
    6.2881845133      0.3393824453000
    2.5199853240      0.5687194760800
    1.0169726306      0.2771769493900
  1  1  1  1  1
    0.3650037800      1.0000000000000
  1  1  1  1  1
    0.1507841800      1.0000000000000
  1  2  2  4  1
    65.354237674      0.0273701463820
    18.504656747      0.1509946397600
    6.3179620632      0.3748532854500
    2.1641389426      0.4751060685100
  1  2  2  1  1
    0.6662863400      1.0000000000000
  1  2  2  1  1
    0.1526260800      1.0000000000000
# GERMANIUM
Ge  pob-DZVP
  12
  1  0  0  6  1
    93889.836642      0.0014233976060
    14097.497528      0.0109107956540
    3207.5477309      0.0541837059430
    905.76727269      0.1892282034900
    295.11014693      0.3861284700100
    101.84713141      0.3016405073600
  1  0  0  3  1
    196.56719662     -0.1111877094000
    23.405292522      0.6461600736900
    9.6839116702      0.4418890456800
  1  0  0  3  1
    17.269736544     -0.2302742137500
    2.8964622160      0.7301716939800
    1.2553621412      0.4619722225500
  1  0  0  1  1
    1.1396354400      1.0000000000000
  1  0  0  1  1
    0.2182833100      1.0000000000000
  1  1  1  5  1
    1259.2085995      0.0090115464252
    297.15626382      0.0679868416890
    94.353387522      0.2685385648800
    34.176329677      0.5365964921900
    12.816139615      0.3563351496100
  1  1  1  3  1
    6.8471029784      0.3390069311900
    2.7717363939      0.5680936526400
    1.1458418175      0.2724653988400
  1  1  1  1  1
    0.3917114300      1.0000000000000
  1  1  1  1  1
    0.1400040000      1.0000000000000
  1  2  2  4  1
    74.782168177      0.0257558602050
    21.310849759      0.1453681613200
    7.3464792363      0.3713420985900
    2.5656271395      0.4800299843600
  1  2  2  1  1
    0.9421431900      1.0000000000000
  1  2  2  1  1
    0.2637066200      1.0000000000000
# ARSENIC
As  pob-DZVP
  12
  1  0  0  6  1
    100146.52554      0.0014258349617
    15036.861711      0.0109301769630
    3421.2902833      0.0542941746100
    966.16965717      0.1897607815300
    314.87394026      0.3877519545300
    108.70823790      0.3040281204000
  1  0  0  3  1
    209.54238950     -0.1116209420400
    25.038221139      0.6469760776200
    10.390964343      0.4422360867300
  1  0  0  3  1
    18.555090093     -0.2299419056900
    3.1281217449      0.7331910761300
    1.3884885073      0.4553365394300
  1  0  0  1  1
    0.4181824500      1.0000000000000
  1  0  0  1  1
    0.1550131000      1.0000000000000
  1  1  1  5  1
    1355.6443507      0.0089182507898
    319.99929270      0.0674547507170
    101.67734092      0.2675977211000
    36.886323845      0.5377684452000
    13.861115909      0.3599257024400
  1  1  1  3  1
    7.4260666912      0.3403684963700
    3.0316247187      0.5703014933400
    1.2783078340      0.2660617023800
  1  1  1  1  1
    0.5541281300      1.0000000000000
  1  1  1  1  1
    0.1782049800      1.0000000000000
  1  2  2  4  1
    84.445514539      0.0245184027240
    24.190416102      0.1410745467700
    8.4045015119      0.3687522891500
    2.9808970748      0.4840956136200
  1  2  2  1  1
    0.9609040000      1.0000000000000
  1  2  2  1  1
    0.1643010400      1.0000000000000
# SELENIUM
Se  pob-DZVP
  12
  1  0  0  6  1
    106612.20027      0.0014274889113
    16007.604701      0.0109435251140
    3642.1699707      0.0543741715960
    1028.5912993      0.1901809294700
    335.30298888      0.3891302169600
    115.80129154      0.3062020708800
  1  0  0  3  1
    222.93325020     -0.1119880800900
    26.726257934      0.6475212420700
    11.124501923      0.4424197665100
  1  0  0  3  1
    19.888520061     -0.2285722776200
    3.3668473803      0.7359135995100
    1.5249277839      0.4433019957700
  1  0  0  1  1
    0.5304965700      1.0000000000000
  1  0  0  1  1
    0.2012996100      1.0000000000000
  1  1  1  5  1
    1455.9068120      0.0088203597043
    343.75101831      0.0668758519670
    109.29554964      0.2664057808000
    39.707711022      0.5383492842200
    14.950185232      0.3630328199300
  1  1  1  3  1
    8.0208962094      0.3415380702500
    3.2934649756      0.5725790658300
    1.4058602438      0.2554981322200
  1  1  1  1  1
    0.5015097700      1.0000000000000
  1  1  1  1  1
    0.1509689200      1.0000000000000
  1  2  2  4  1
    94.494024044      0.0234901010980
    27.188185260      0.1374773576700
    9.5091567352      0.3664992912400
    3.4170516853      0.4875098988400
  1  2  2  1  1
    1.0106184400      1.0000000000000
  1  2  2  1  1
    0.1503429700      1.0000000000000
# BROMINE
Br  pob-DZVP
  12
  1  0  0  6  1
    113286.38776      0.0014283037779
    17009.626303      0.0109504174960
    3870.1842567      0.0544210066040
    1093.0357227      0.1904790769500
    356.39721797      0.3902464273700
    123.12539643      0.3081443251400
  1  0  0  3  1
    236.74084007     -0.1122806567100
    28.468661070      0.6477596231200
    11.883443722      0.4423557598600
  1  0  0  3  1
    21.269633312     -0.2264257632300
    3.6129226841      0.7382371200800
    1.6626648969      0.4268386869400
  1  0  0  1  1
    0.5091510600      1.0000000000000
  1  0  0  1  1
    0.2448482800      1.0000000000000
  1  1  1  5  1
    1560.2801881      0.0087166669072
    368.47859205      0.0662436374200
    117.22978849      0.2649561038500
    42.648909248      0.5383916058700
    16.087225096      0.3657938788800
  1  1  1  3  1
    8.6352810058      0.3424878736600
    3.5613665502      0.5750067821300
    1.5292626609      0.2433039417200
  1  1  1  1  1
    0.5560447400      1.0000000000000
  1  1  1  1  1
    0.1564046700      1.0000000000000
  1  2  2  4  1
    104.85518642      0.0226501475810
    30.281143688      0.1345548323000
    10.651394267      0.3647445453700
    3.8699456233      0.4904458705600
  1  2  2  1  1
    1.2561204000      1.0000000000000
  1  2  2  1  1
    0.2125147300      1.0000000000000

#  pob-TZVPP
# Elements                             References
# --------                             ----------
# H Li Be O F Na Si S Cl K Ca         Peintinger, M. F., Oliveira, D. V. and Bredow, T. , Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations. J. Comput. Chem. (2013), 34, 451-459. DOI: 10.1002/jcc.23153
#
# HYDROGEN
H  pob-TZVPP
  5
  1  0  0  3  1
34.061341000 0.00602519780
5.1235746000 0.04502109400
1.1646626000 0.20189726000
  1  0  0  1  1
0.4157455100 1.00000000000
  1  0  0  1  1
0.1695111000 1.00000000000
  1  1  1  1  1
1.7000000000 1.00000000000
  1  1  1  1  1
0.8000000000 1.00000000000
# LITHIUM
Li  pob-TZVPP
  6
  1  0  0  6  1
6269.2628010 0.00020540968826
940.31612431 0.0015916554089
214.22107528 0.0082869829707
60.759840184 0.033856374249
19.915152032 0.11103225876
7.3171509797 0.27449383329
  1  0  0  2  1
2.9724674216 0.23792456411
1.2639852314 0.30765411924
  1  0  0  1  1
0.5398482200 1.0000000000
  1  0  0  1  1
0.1290374500 1.0000000000
  1  0  0  1  1
0.2594612100 1.0000000000
  1  0  0  1  1
0.1264021300 1.0000000000
# BERYLLIUM
Be  pob-TZVPP
  6
  1  0  0  6  1
4700.2365626 0.00023584389316
704.82845622 0.00182437910190
160.43110478 0.00939661482240
45.425347336 0.03690892415900
14.798334125 0.10897561281000
5.3512452537 0.21694284551000
  1  0  0  2  1
2.1542044819 0.44695408857000
0.9336374440 0.20866985771000
  1  0  0  1  1
0.24174508 1.00000000000000
  1  0  0  1  1
0.12111452 1.00000000000000
  1  1  1  1  1
0.99262157 1.00000000000000
  1  1  1  1  1
0.49000000 1.00000000000000
# OXYGEN
O  pob-TZVPP
  9
  1  0  0  6  1
27032.382631 0.00021726302465
4052.3871392 0.00168386621990
922.32722710 0.00873956162650
261.24070989 0.03523996880800
85.354641351 0.11153519115000
31.035035245 0.25588953961000
  1  0  0  2  1
12.260860728 0.39768730901000
4.9987076005 0.24627849430000
  1  0  0  1  1
1.0987136000 1.00000000000000
  1  0  0  1  1
0.3565870100 1.00000000000000
  1  1  1  4  1
63.274954801 0.0060685103418
14.627049379 0.0419125758240
4.4501223456 0.1615384108800
1.5275799647 0.3570695131100
  1  1  1  1  1
0.5489735000 1.0000000000000
  1  1  1  1  1
0.1858671100 1.0000000000000
  1  2  2  1  1
0.7432529700 1.0000000000000
  1  2  2  1  1
0.2579985600 1.0000000000000
# FLUORINE
F  pob-TZVPP
  9
  1  0  0  6  1
35479.100441 0.00021545014888
5318.4728983 0.0016700686527
1210.4810975 0.0086733211476
342.85518140 0.035049933175
112.01943181 0.11165320133
40.714740248 0.25988506647
  1  0  0  2  1
16.039678111 0.39422966880
6.5038186740 0.24998238551
  1  0  0  1  1
1.44200749 1.0000000000
  1  0  0  1  1
0.45977258 1.0000000000
  1  1  1  4  1
80.233900483 0.0063685999134
18.594010743 0.044303143530
5.6867902653 0.16867248708
1.9511006294 0.36166346255
  1  0  0  1  1
0.63228452 1.0000000000
  1  0  0  1  1
0.19835532 1.0000000000
  1  2  2  1  1
0.59186103 1.0000000000
  1  2  2  1  1
0.27618695 1.0000000000
# SODIUM
Na  pob-TZVPP
  10
  1  0  0  7  1
26041.1099270 0.00061806342811
3906.12685480 0.00477486044140
888.974549930 0.02447168482900
251.454979610 0.09475539497700
81.6501435120 0.26867496920000
28.9041584010 0.47925475440000
10.6257829320 0.33248591469000
  1  0  0  3  1
53.7694101790 0.01952773187200
16.3082430250 0.09264801079400
2.37303841250 -0.39938670172000
  1  0  0  2  1
0.95730772603 1.64285953910000
0.40806460959 0.55692596966000
  1  0  0  1  1
0.67460191000 1.00000000000000
  1  0  0  1  1
0.10055549000 1.00000000000000
  1  1  1  5  1
138.079799890 0.00579518919290
32.2327003930 0.04162084625100
9.98160753600 0.16281916885000
3.48220339280 0.36011784647000
1.22991346200 0.44858979889000
  1  1  1  1  1
0.40094322000 1.00000000000000
  1  1  1  1  1
0.10067345000 1.00000000000000
  1  2  2  1  1
1.04630000 1.00000000000000
  1  2  2  1  1
0.27106937 1.00000000000000
# SILICON
Si  pob-TZVPP
  11
  1  0  0  7  1
44773.358078 0.00055914765868
6717.1992104 0.00432060401890
1528.8960325 0.02218709646000
432.54746585 0.08648924911600
140.61505226 0.24939889716000
49.857636724 0.46017197366000
18.434974885 0.34250236575000
  1  0  0  3  1
86.533886111 0.02130006300700
26.624606846 0.09467613931800
4.4953057159 -0.32616264859000
  1  0  0  2  1
2.1035045710 1.39808038500000
1.0106094922 0.63865786699000
  1  0  0  1  1
0.7422443800 1.00000000000000
  1  0  0  1  1
0.2160762500 1.00000000000000
  1  1  1  5  1
394.47503628 0.00262856939590
93.137683104 0.02055625774900
29.519608742 0.09207026280100
10.781663791 0.25565889739000
4.1626574778 0.42111707185000
  1  1  1  1  1
1.4499318500 1.00000000000000
  1  1  1  1  1
0.5949286700 1.00000000000000
  1  1  1  1  1
0.1146786100 1.00000000000000
  1  2  2  1  1
1.2075226400 1.00000000000000
  1  2  2  1  1
0.4220920700 1.00000000000000
# SULFUR
S  pob-TZVPP
  11
  1  0  0  7  1
60700.928104 0.00054695944225
9102.6106854 0.00422972245570
2071.4166009 0.02174782415900
586.02476821 0.08510005358900
190.55395021 0.24799128459000
67.630384260 0.46703640406000
25.127306905 0.36434587550000
  1  0  0  3  1
112.57463010 0.02167004024000
34.795554217 0.09360230176000
6.5115556215 -0.26068001422000
  1  0  0  2  1
3.2399032261 1.28420894350000
1.5477160881 0.66036416584000
  1  0  0  1  1
0.2887335200 1.00000000000000
  1  0  0  1  1
0.1153457200 1.00000000000000
  1  1  1  5  1
564.36716027 0.00247967963170
133.42624379 0.01967793025000
42.468271189 0.08998000825800
15.616527580 0.25705880575000
6.1093988469 0.43515167292000
  1  1  1  1  1
2.0359436000 1.00000000000000
  1  1  1  1  1
0.3337928300 1.00000000000000
  1  1  1  1  1
0.1155009100 1.00000000000000
  1  2  2  1  1
0.3015500400 1.00000000000000
  1  2  2  1  1
0.1001172000 1.00000000000000
# CHLORINE
Cl  pob-TZVPP
  11
  1  0  0  7  1
69507.990945 0.00054314897497
10426.156880 0.00419904639610
2373.2334061 0.02159214167900
671.56420071 0.08459885009400
218.41999790 0.24757249724000
77.572249714 0.47016930228000
28.888815277 0.37436370716000
  1  0  0  3  1
127.10527185 0.02518216660300
39.339582961 0.10786112456000
7.6740679989 -0.27408821574000
  1  0  0  2  1
3.8745627630 1.32138750140000
1.8385832573 0.68636955368000
  1  0  0  1  1
0.4498594500 1.00000000000000
  1  0  0  1  1
0.1363703100 1.00000000000000
  1  1  1  5  1
666.50423284 0.00236326638360
157.64241690 0.01887930037400
50.262520978 0.08720634127300
18.536078105 0.25285612970000
7.2940532777 0.43507154820000
  1  1  1  1  1
2.80149164000 1.00000000000000
  1  1  1  1  1
0.73964278000 1.00000000000000
  1  1  1  1  1
0.21056105000 1.00000000000000
  1  2  2  1  1
0.12426674 1.00000000000000
  1  2  2  1  1
0.23728440 1.00000000000000
# POTASSIUM
K  pob-TZVPP
  12
  1  0  0  8  1
153976.183250 0.00023662636107
23082.4976720 0.00183429291370
5253.23447450 0.00953105277690
1486.95501330 0.03863840698000
484.063337260 0.12480768502000
173.566539800 0.29278861009000
67.1163814640 0.40633425860000
26.3395020540 0.20077215860000
  1  0  0  4  1
172.876935670 -0.02420096093600
53.0586490630 -0.11553095040000
7.92127539640 0.57455545175000
3.21088804720 0.57023185107000
  1  0  0  2  1
4.56620708950 -0.22615763466000
0.70209907282 0.75528392045000
  1  0  0  1  1
0.91009660000 1.00000000000000
  1  0  0  1  1
0.31839021000 1.00000000000000
  1  0  0  1  1
0.10000178000 1.00000000000000
  1  1  1  6  1
728.184498730 0.00261506897920
172.132650610 0.02067363083500
54.8298470750 0.09320560387000
20.1662664940 0.25436518210000
7.86107288060 0.39131132810000
3.11052131320 0.22481345943000
  1  1  1  3  1
11.7573374920 -0.02577728921700
1.51396174110 0.57359428604000
0.58328591795 1.07983200020000
  1  1  1  1  1
0.31652437000 1.00000000000000
  1  1  1  1  1
0.12001438000 1.00000000000000
  1  2  2  1  1
0.40773481000 1.00000000000000
  1  2  2  1  1
0.12000023000 1.00000000000000
# CALCIUM
Ca  pob-TZVPP
  12
  1  0  0  8  1
172517.32685 0.23317502546E-03
25861.519275 0.18076521980E-02
5885.6618668 0.93943844255E-02
1665.9730031 0.38108409009E-01
542.36718148 0.12331203853
194.57803492 0.29004470954
75.303597636 0.40587151157
29.574062589 0.20398410743
  1  0  0  4  1
191.20074660 -0.24419759759E-01
58.840299883 -0.11547027448
8.9642540845 0.56356636717
3.6856960541 0.56709682704
  1  0  0  2  1
5.2464289726 -0.22825334325
0.84862621528 0.72625219172
  1  0  0  1  1
1.30710626 1.0000000000
  1  0  0  1  1
0.38027232 1.0000000000
  1  0  0  1  1
0.16014616 1.0000000000
  1  1  1  6  1
836.97262058 0.25258346092E-02
197.93040142 0.20076506686E-01
63.135558054 0.91302987366E-01
23.282687170 0.25247029915
9.1176444932 0.39426326344
3.6336120139 0.23011559492
  1  1  1  3  1
13.494163120 -0.26495021951E-01
1.8139259790 0.55088108210
0.71981826006 1.0280616620
  1  0  0  1  1
0.36108303 1.0000000000
  1  0  0  1  1
0.16029529 1.0000000000
  1  2  2  1  1
1.57726125 1.0000000000
  1  2  2  1  1
0.37537169 1.0000000000
