# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# pob-TZVP version number 1
# Description: pob-TZVP
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     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
# 
# schuchardt2007a
#     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,Li-F,Na-Cl,K-Br
#      pob-TZVP
#          peintinger2013a
# 
#  Rb-Mo,Ru-I
#      pob-TZVP
#          laun2018a
# 
# 
# 
# laun2018a
#     Laun, Joachim, Oliveira, Daniel Vilela, Bredow, Thomas
#     Consistent gaussian basis sets of double‐ and triple‐zeta valence with
#             polarization quality of the fifth period for solid‐state
#             calculations
#     J. Comput. Chem. 39, 1285-1290 (2018)
#     10.1002/jcc.25195
# 
# peintinger2013a
#     Peintinger, Michael F., Oliveira, Daniel Vilela, Bredow, Thomas
#     Consistent Gaussian basis sets of triple‐zeta valence with
#             polarization quality for solid‐state calculations
#     J. Comput. Chem. 34, 451-459 (2013)
#     10.1002/jcc.23153
# 
# # 
basis "H_pob-TZVP" SPHERICAL 
#basis SET: (5s,1p) -> [3s,1p]
H    S
     34.061341000            0.00602519780
      5.1235746000           0.04502109400
      1.1646626000           0.20189726000
H    S
      0.4157455100           1.00000000000
H    S
      0.1795111000           1.00000000000
H    P
      0.8000000000           1.00000000000
end
basis "Li_pob-TZVP" SPHERICAL 
#basis SET: (10s,1p) -> [4s,1p]
Li    S
   6269.2628010              0.00020540968826
    940.31612431             0.00159165540890
    214.22107528             0.00828698297070
     60.759840184            0.03385637424900
     19.915152032            0.11103225876000
      7.3171509797           0.27449383329000
Li    S
      2.9724674216           0.23792456411000
      1.2639852314           0.30765411924000
Li    S
      0.5025516200           1.00000000000000
Li    S
      0.1000746200           1.00000000000000
Li    P
      0.1450713300           1.00000000000000
end
basis "Be_pob-TZVP" SPHERICAL 
#basis SET: (10s,1p) -> [4s,1p]
Be    S
   4700.2365626              0.00023584389316
    704.82845622             0.00182437910190
    160.43110478             0.00939661482240
     45.425347336            0.03690892415900
     14.798334125            0.10897561281000
      5.3512452537           0.21694284551000
Be    S
      2.1542044819           0.44695408857000
      0.9336374440           0.20866985771000
Be    S
      0.24174508             1.00000000000000
Be    S
      0.12111452             1.00000000000000
Be    P
      0.79262157             1.00000000000000
end
basis "B_pob-TZVP" SPHERICAL 
#basis SET: (10s,6p,1d) -> [4s,3p,1d]
B    S
   8564.86606870             0.00022837198155
   1284.15162630             0.00176825764470
    292.278716040            0.00914070805160
     82.7754691760           0.03634263898900
     27.0179392690           0.11063458441000
      9.81496196600          0.23367344321000
B    S
      3.93185590590          0.41818777978000
      1.65955997120          0.22325473798000
B    S
      0.53318702000          1.00000000000000
B    S
      0.26659351000          1.00000000000000
B    P
     22.4538758030           0.00502655751790
      5.10450583300          0.03280173896500
      1.49860813440          0.13151230768000
      0.50927831315          0.33197167769000
B    P
      0.53857716000          1.00000000000000
B    P
      0.26928858000          1.00000000000000
B    D
      0.75005942000          1.00000000000000
end
basis "C_pob-TZVP" SPHERICAL 
#basis SET: (10s,6p,1d) -> [4s,3p,1d]
C    S
  13575.349682               0.00022245814352
   2035.2333680              0.00172327382520
    463.22562359             0.00892557153140
    131.20019598             0.03572798450200
     42.853015891            0.11076259931000
     15.584185766            0.24295627626000
C    S
      6.2067138508           0.41440263448000
      2.5764896527           0.23744968655000
C    S
      0.4941102000           1.00000000000000
C    S
      0.1644071000           1.00000000000000
C    P
     34.697232244            0.00533336578050
      7.9582622826           0.03586410909200
      2.3780826883           0.14215873329000
      0.8143320818           0.34270471845000
C    P
      0.5662417100           1.00000000000000
C    P
      0.2673545000           1.00000000000000
C    D
      0.8791584200           1.00000000000000
end
basis "N_pob-TZVP" SPHERICAL 
#basis SET: (10s,6p,1d) -> [4s,3p,1d]
N    S
  19730.800647               0.00021887984991
   2957.8958745              0.00169607088030
    673.22133595             0.00879546035380
    190.68249494             0.03535938260500
     62.295441898            0.11095789217000
     22.654161182            0.24982972552000
N    S
      8.9791477428           0.4062389614800
      3.6863002370           0.2433821717600
N    S
      0.7865398200           1.0000000000000
N    S
      0.2677997200           1.0000000000000
N    P
     49.200380510            0.0055552416751
     11.346790537            0.0380523797230
      3.4273972411           0.1495367102900
      1.1785525134           0.3494930523000
N    P
      0.3780331700           1.0000000000000
N    P
      0.1473661500           1.0000000000000
N    D
      0.3612294900           1.0000000000000
end
basis "O_pob-TZVP" SPHERICAL 
#basis SET: (10s,6p,1d) -> [4s,3p,1d]
O    S
  27032.382631               0.00021726302465
   4052.3871392              0.00168386621990
    922.32722710             0.00873956162650
    261.24070989             0.03523996880800
     85.354641351            0.11153519115000
     31.035035245            0.25588953961000
O    S
     12.260860728            0.39768730901000
      4.9987076005           0.24627849430000
O    S
      1.0987136000           1.00000000000000
O    S
      0.3565870100           1.00000000000000
O    P
     63.274954801            0.0060685103418
     14.627049379            0.0419125758240
      4.4501223456           0.1615384108800
      1.5275799647           0.3570695131100
O    P
      0.5489735000           1.0000000000000
O    P
      0.1858671100           1.0000000000000
O    D
      0.2534621300           1.0000000000000
end
basis "F_pob-TZVP" SPHERICAL 
#basis SET: (10s,6p,1d) -> [4s,3p,1d]
F    S
  35479.100441               0.00021545014888
   5318.4728983              0.00167006865270
   1210.4810975              0.00867332114760
    342.85518140             0.03504993317500
    112.01943181             0.11165320133000
     40.714740248            0.25988506647000
F    S
     16.039678111            0.39422966880000
      6.5038186740           0.24998238551000
F    S
      1.4420074900           1.00000000000000
F    S
      0.4597725800           1.00000000000000
F    P
     80.233900483            0.00636859991340
     18.594010743            0.04430314353000
      5.6867902653           0.16867248708000
      1.9511006294           0.36166346255000
F    P
      0.6322845200           1.00000000000000
F    P
      0.1983553200           1.00000000000000
F    D
      0.5631263500           1.00000000000000
end
basis "Na_pob-TZVP" SPHERICAL 
#basis SET: (14s,7p,1d) -> [5s,3p,1d]
Na    S
  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
Na    S
     53.7694101790           0.01952773187200
     16.3082430250           0.09264801079400
      2.37303841250         -0.39938670172000
Na    S
      0.95730772603          1.64285953910000
      0.40806460959          0.55692596966000
Na    S
      0.67460191000          1.00000000000000
Na    S
      0.10055549000          1.00000000000000
Na    P
    138.079799890            0.00579518919290
     32.2327003930           0.04162084625100
      9.98160753600          0.16281916885000
      3.48220339280          0.36011784647000
      1.22991346200          0.44858979889000
Na    P
      0.40094322000          1.00000000000000
Na    P
      0.10067345000          1.00000000000000
Na    D
      1.04630000000          1.00000000000000
end
basis "Mg_pob-TZVP" SPHERICAL 
#basis SET: (14s,7p,1d) -> [5s,3p,1d]
Mg    S
  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
Mg    S
     64.8769130040           0.01918088930700
     19.7255207770           0.09091370439200
      2.89518043390         -0.39563756125000
Mg    S
      1.34711883000          1.00000000000000
Mg    S
      1.19604547100          1.68276033730000
      0.54329451156          0.52141091954000
Mg    S
      0.34506887000          1.00000000000000
Mg    P
    179.871896120            0.00537995490180
     42.1200693760           0.03931801409800
     13.1205030320           0.15740129476000
      4.62575036090          0.35919094128000
      1.66952110160          0.45533379310000
Mg    P
      0.56631001000          1.00000000000000
Mg    P
      0.18813966000          1.00000000000000
Mg    D
      0.69355357000          1.00000000000000
end
basis "Al_pob-TZVP" SPHERICAL 
#basis SET: (14s,8p,1d) -> [5s,4p,1d]
Al    S
  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
Al    S
     75.2080265980           0.01925056019000
     23.0314089720           0.08790674395200
      3.63487976490         -0.34246704535000
Al    S
      1.60650499570          1.51062660580000
      0.76103394581          0.58071016470000
Al    S
      0.69881874000          1.00000000000000
Al    S
      0.34940937000          1.00000000000000
Al    P
    452.523031920            0.00231108124660
    107.081950490            0.01856864182300
     34.1310212550           0.08721623703500
     12.5870374280           0.26902101523000
      4.98119197040          0.52128324272000
Al    P
      1.93791887000          1.00000000000000
Al    P
      0.72047185000          1.00000000000000
Al    P
      0.18328583000          1.00000000000000
Al    D
      0.57798580000          1.00000000000000
end
basis "Si_pob-TZVP" SPHERICAL 
#basis SET: (14s,8p,1d) -> [5s,4p,1d]
Si    S
  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
Si    S
     86.533886111            0.02130006300700
     26.624606846            0.09467613931800
      4.4953057159          -0.32616264859000
Si    S
      2.1035045710           1.39808038500000
      1.0106094922           0.63865786699000
Si    S
      0.7422443800           1.00000000000000
Si    S
      0.2160762500           1.00000000000000
Si    P
    394.47503628             0.00262856939590
     93.137683104            0.02055625774900
     29.519608742            0.09207026280100
     10.781663791            0.25565889739000
      4.1626574778           0.42111707185000
Si    P
      1.4499318500           1.00000000000000
Si    P
      0.5949286700           1.00000000000000
Si    P
      0.1146786100           1.00000000000000
Si    D
      0.5074090300           1.00000000000000
end
basis "P_pob-TZVP" SPHERICAL 
#basis SET: (14s,8p,1d) -> [5s,4p,1d]
P    S
  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
P    S
     99.013837620            0.0218956799580
     30.550439817            0.0956504702950
      5.4537087661          -0.2945427018600
P    S
      2.6503362563           1.3294381200000
      1.2726688867           0.6610939647300
P    S
      0.3072409700           1.0000000000000
P    S
      0.1102708300           1.0000000000000
P    P
    472.27219248             0.0025710623052
    111.58882756             0.0202502979990
     35.445936418            0.0915807167870
     12.990776875            0.2574945401400
      5.0486221658           0.4286289975800
P    P
      1.8889755200           1.0000000000000
P    P
      0.4424064200           1.0000000000000
P    P
      0.1573225300           1.0000000000000
P    D
      0.5061295000           1.0000000000000
end
basis "S_pob-TZVP" SPHERICAL 
#basis SET: (14s,8p) -> [5s,4p]
S    S
  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
S    S
    112.57463010             0.02167004024000
     34.795554217            0.09360230176000
      6.5115556215          -0.26068001422000
S    S
      3.2399032261           1.28420894350000
      1.5477160881           0.66036416584000
S    S
      0.2887335200           1.00000000000000
S    S
      0.1153457200           1.00000000000000
S    P
    564.36716027             0.00247967963170
    133.42624379             0.01967793025000
     42.468271189            0.08998000825800
     15.616527580            0.25705880575000
      6.1093988469           0.43515167292000
S    P
      2.0359436000           1.00000000000000
S    P
      0.3337928300           1.00000000000000
S    P
      0.1155009100           1.00000000000000
end
basis "Cl_pob-TZVP" SPHERICAL 
#basis SET: (14s,8p,1d) -> [5s,4p,1d]
Cl    S
  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
Cl    S
    127.10527185             0.02518216660300
     39.339582961            0.10786112456000
      7.6740679989          -0.27408821574000
Cl    S
      3.8745627630           1.32138750140000
      1.8385832573           0.68636955368000
Cl    S
      0.4498594500           1.00000000000000
Cl    S
      0.1363703100           1.00000000000000
Cl    P
    666.50423284             0.00236326638360
    157.64241690             0.01887930037400
     50.262520978            0.08720634127300
     18.536078105            0.25285612970000
      7.2940532777           0.43507154820000
Cl    P
      2.80149164000          1.00000000000000
Cl    P
      0.73964278000          1.00000000000000
Cl    P
      0.21056105000          1.00000000000000
Cl    D
      0.23728440000          1.00000000000000
end
basis "K_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,1d) -> [6s,4p,1d]
K    S
 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
K    S
    172.876935670           -0.02420096093600
     53.0586490630          -0.11553095040000
      7.92127539640          0.57455545175000
      3.21088804720          0.57023185107000
K    S
      0.91009660000          1.00000000000000
K    S
      4.56620708950         -0.22615763466000
      0.70209907282          0.75528392045000
K    S
      0.31839021000          1.00000000000000
K    S
      0.10000178000          1.00000000000000
K    P
    728.184498730            0.00261506897920
    172.132650610            0.02067363083500
     54.8298470750           0.09320560387000
     20.1662664940           0.25436518210000
      7.86107288060          0.39131132810000
      3.11052131320          0.22481345943000
K    P
     11.7573374920          -0.02577728921700
      1.51396174110          0.57359428604000
      0.58328591795          1.07983200020000
K    P
      0.31652437000          1.00000000000000
K    P
      0.12001438000          1.00000000000000
K    D
      0.29120633000          1.00000000000000
end
basis "Ca_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,1d) -> [6s,4p,1d]
Ca    S
 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
Ca    S
    191.200746600           -0.02441975975900
     58.8402998830          -0.11547027448000
      8.96425408450          0.56356636717000
      3.68569605410          0.56709682704000
Ca    S
      1.30710626000          1.00000000000000
Ca    S
      5.24642897260         -0.22825334325000
      0.84862621528          0.72625219172000
Ca    S
      0.38027232000          1.00000000000000
Ca    S
      0.16014616000          1.00000000000000
Ca    P
    836.972620580            0.00252583460920
    197.930401420            0.02007650668600
     63.1355580540           0.09130298736600
     23.2826871700           0.25247029915000
      9.11764449320          0.39426326344000
      3.63361201390          0.23011559492000
Ca    P
     13.4941631200          -0.02649502195100
      1.81392597900          0.55088108210000
      0.71981826006          1.02806166200000
Ca    P
      0.36108303000          1.00000000000000
Ca    P
      0.16029529000          1.00000000000000
Ca    D
      0.78864471000          1.00000000000000
end
basis "Sc_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
Sc    S
 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
Sc    S
    211.343932340           -0.02452799146200
     65.1289201390          -0.11570158142000
     10.0343115350           0.55995283317000
      4.15968845970          0.56087765073000
Sc    S
      1.42204508000          1.00000000000000
Sc    S
      6.00090416130         -0.22840494325000
      0.98255784150          0.71948970378000
Sc    S
      0.41466167000          1.00000000000000
Sc    S
      0.14961565000          1.00000000000000
Sc    P
    947.341228230            0.00247372087440
    224.096997320            0.01974296706000
     71.5603348820           0.09035714754900
     26.4448244900           0.25201602503000
     10.3937982850           0.39675535929000
      4.16063045590          0.23208624517000
Sc    P
     15.5657371350          -0.02712942397400
      2.11215448650          0.55109256629000
      0.84184709021          1.00906358060000
Sc    P
      0.63537059000          1.00000000000000
Sc    P
      0.31768530000          1.00000000000000
Sc    D
     30.9893909930           0.01190283743100
      8.69054650690          0.06765585685000
      2.95202563370          0.21332539722000
      1.07619107450          0.38391075578000
Sc    D
      0.35567614000          1.00000000000000
Sc    D
      0.12383645000          1.00000000000000
Sc    F
      0.34500000000          1.00000000000000
end
basis "Ti_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
Ti    S
 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
Ti    S
    232.726246070           -0.02492014073800
     71.7912097110          -0.11746490087000
     11.1585346150           0.56503342318000
      4.65481354160          0.56211101812000
Ti    S
      1.74504592000          1.00000000000000
Ti    S
      6.80346291740         -0.23011425503000
      1.12010764030          0.72103186735000
Ti    S
      0.63463883000          1.00000000000000
Ti    S
      0.21154627700          1.00000000000000
Ti    P
   1063.14747320             0.00246908393200
    251.565070610            0.01977334552300
     80.4085548540           0.09098797667200
     29.7681932690           0.25559900413000
     11.7368305560           0.40489386764000
      4.71423752300          0.23693402558000
Ti    P
      1.73304386000          1.00000000000000
Ti    P
     17.7968037040          -0.02787863961500
      2.42726986800          0.55672914668000
      0.96823445537          1.00554473500000
Ti    P
      0.37056694000          1.00000000000000
Ti    D
     37.7133847230           0.01151383509200
     10.6929311840           0.06724634399600
      3.67284469900          0.21484207775000
      1.35885903030          0.38890892779000
Ti    D
      0.86367514000          1.00000000000000
Ti    D
      0.43183757000          1.00000000000000
Ti    F
      0.562000000000         1.00000000000000
end
basis "V_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
V    S
 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
V    S
    255.24014968            -0.02445811633800
     78.804646961           -0.11527205366000
     12.340598946            0.55174749453000
      5.1742019219           0.54504528489000
V    S
      2.0363959000           1.00000000000000
V    S
      7.6513894469          -0.22967638286000
      1.2639759898           0.71683769077000
V    S
      0.5857304500           1.00000000000000
V    S
      0.2750729900           1.00000000000000
V    P
   1184.2369151              0.00244498267290
    280.23075192             0.01964345446600
     89.643627137            0.09079694919000
     33.242411253            0.25650768222000
     13.144514452            0.40815393750000
      5.2948534140           0.23860378268000
V    P
     20.175586851           -0.02824148902300
      2.7605865197           0.55574635619000
      1.1008900902           0.99319919270000
V    P
      0.7153797600           1.00000000000000
V    P
      0.2384599200           1.00000000000000
V    D
     43.861134864            0.01148717423800
     12.516021891            0.06824715397700
      4.3313854957           0.21837784195000
      1.6138855773           0.39245212296000
V    D
      0.5790593700           1.00000000000000
V    D
      0.2143837300           1.00000000000000
V    F
      0.8310000000           1.00000000000000
end
basis "Cr_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
Cr    S
 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
Cr    S
    279.32669173            -0.02345090811100
     86.274732376           -0.11080370027000
     13.555756113            0.53028965842000
      5.6978112751           0.51603516947000
Cr    S
      1.5142137900           1.00000000000000
Cr    S
      8.5636582615          -0.38109545675000
      1.3988296768           1.19915914360000
Cr    S
      0.5047379300           1.00000000000000
Cr    S
      0.1505787700           1.00000000000000
Cr    P
   1306.4398864              0.00242773261850
    309.25311441             0.01954404101700
     98.996273963            0.09065179455300
     36.756916451            0.25699279154000
     14.566657077            0.40935504891000
      5.8739937432           0.23729388849000
Cr    P
     22.890999695           -0.02816602661300
      3.0855001822           0.56034120148000
      1.2132329118           0.98119019650000
Cr    P
      0.4593168100           1.00000000000000
Cr    P
      0.2296584050           1.0000000000000
Cr    D
     43.720074476            0.01362296402600
     12.391242652            0.07893518013300
      4.2639442006           0.23833840000000
      1.5525221790           0.39526851122000
Cr    D
      1.1288617700           1.00000000000000
Cr    D
      0.5172623600           1.00000000000000
Cr    F
      1.1470000000           1.00000000000000
end
basis "Mn_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
Mn    S
 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
Mn    S
    303.66723163            -0.02458992614000
     93.881403187           -0.11602608038000
     14.879421214            0.55112059677000
      6.2865200745           0.53707560756000
Mn    S
      2.1881832800           1.00000000000000
Mn    S
      9.4858591337          -0.22889262695000
      1.5698706158           0.71196169587000
Mn    S
      0.6599294200           1.00000000000000
Mn    S
      0.1011885900           1.00000000000000
Mn    P
   1444.7978182              0.0023994136455
    342.06551197             0.0193692868640
    109.58400891             0.0902361089880
     40.747988173            0.2574546785100
     16.188626566            0.4127235195800
      6.5484505964           0.2408770000700
Mn    P
     25.357086437           -0.0287071740580
      3.4830168782           0.5520810071200
      1.3858800906           0.9722690137900
Mn    P
      1.1854291400           1.0000000000000
Mn    P
      0.5353715500           1.0000000000000
Mn    D
     56.563189119            0.0115432452950
     16.278734711            0.0702998459870
      5.6964273914           0.2245077082100
      2.1411147942           0.3970306543400
Mn    D
      0.7529196500           1.0000000000000
Mn    D
      0.2283584800           1.0000000000000
Mn    F
      1.3260000000           1.0000000000000
end
basis "Fe_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
Fe    S
 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
Fe    S
    329.48839267            -0.02474521647700
    101.92332739            -0.11683089050000
     16.240462745            0.55293621136000
      6.8840675801           0.53601640182000
Fe    S
      1.7565166800           1.00000000000000
Fe    S
     10.470693782           -0.22912708577000
      1.7360039648           0.71159319984000
Fe    S
      0.77548354             1.00000000000000
Fe    S
      0.1058918100           1.00000000000000
Fe    P
   1585.3959970              0.00237939601790
    375.38006499             0.01925315475500
    120.31816501             0.09002183653600
     44.788749031            0.25798172356000
     17.829278584            0.41492649744000
      7.2247153786           0.24207474784000
Fe    P
     28.143219756           -0.02904175515200
      3.8743241412           0.55312260343000
      1.5410752281           0.96771136842000
Fe    P
      0.9336590800           1.00000000000000
Fe    P
      0.1999999900           1.00000000000000
Fe    D
     61.996675034            0.01197197225500
     17.873732552            0.07321013541000
      6.2744782934           0.23103094314000
      2.3552337175           0.39910706494000
Fe    D
      0.8417158200           1.00000000000000
Fe    D
      0.2611100300           1.00000000000000
Fe    F
      1.5980000000           1.00000000000000
end
basis "Co_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
Co    S
 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
Co    S
    356.40298318            -0.02476705967800
    110.31165215            -0.11702139134000
     17.659634834            0.55215522200000
      7.5059030479           0.53246877060000
Co    S
      2.6083233500           1.00000000000000
Co    S
     11.501807176           -0.22942470077000
      1.9081994606           0.71180933514000
Co    S
      0.7955677300           1.00000000000000
Co    S
      0.1356673700           1.00000000000000
Co    P
   1731.1369144              0.00239057676850
    409.91750438             0.01938299996700
    131.45648578             0.09090544850900
     48.987439714            0.26146681577000
     19.537078992            0.42157264570000
      7.9287281634           0.24571813557000
Co    P
     31.076017584           -0.02943806997300
      4.2835180697           0.55615568168000
      1.7022921563           0.96772195064000
Co    P
      1.1628100700           1.00000000000000
Co    P
      0.7018644100           1.00000000000000
Co    D
     68.140745239            0.01198384536000
     19.685241019            0.07368854047500
      6.9322128825           0.23085496779000
      2.6025125694           0.39281059225000
Co    D
      0.9207081800           1.00000000000000
Co    D
      0.2922317400           1.00000000000000
Co    F
      1.9030000000           1.00000000000000
end
basis "Ni_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
Ni    S
 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
Ni    S
    384.45559739            -0.02465127926800
    119.04879199            -0.11658505277000
     19.137012223            0.54864126676000
      8.1526718562           0.52640051122000
Ni    S
      2.9480296700           1.00000000000000
Ni    S
     12.579408642           -0.22797884293000
      2.0870866081           0.70703738215000
Ni    S
      0.87308901             1.00000000000000
Ni    S
      0.16787354             1.00000000000000
Ni    P
   1883.0907486              0.00237482584430
    445.95155320             0.01928945717200
    143.08430815             0.09071821150700
     53.372920722            0.26181414117000
     21.321919357            0.42309149832000
      8.6643561994           0.24641686015000
Ni    P
     34.144255211           -0.02967712916300
      4.7122455921           0.55616824096000
      1.8709231845           0.96357766460000
Ni    P
      1.0453650800           1.00000000000000
Ni    P
      0.4276468400           1.00000000000000
Ni    D
     74.591603465            0.01207745467200
     21.590632752            0.07463726215400
      7.6246142580           0.23236775502000
      2.8632206762           0.39042651680000
Ni    D
      1.0075942000           1.00000000000000
Ni    D
      0.3167209900           1.00000000000000
Ni    F
      2.1740000000           1.00000000000000
end
basis "Cu_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
Cu    S
 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
Cu    S
    414.41265811            -0.02468252505300
    128.32056039            -0.11716827406000
     20.622089750            0.55301315941000
      8.7821226045           0.52242718609000
Cu    S
     13.741372006           -0.22736061821000
      2.2431246833           0.71761210873000
Cu    S
      0.8152953200           1.00000000000000
Cu    S
      0.4076476600           1.00000000000000
Cu    S
      0.1768011100           1.00000000000000
Cu    P
   2034.7596692              0.00235248222980
    481.90468106             0.01913407075100
    154.67482963             0.09017110527800
     57.740576969            0.26063284735000
     23.099052811            0.42093485770000
      9.3882478591           0.24344615121000
Cu    P
     37.596171210           -0.02899109453000
      5.1240690810           0.54919083831000
      2.0119996085           0.93793330488000
Cu    P
      1.4641814000           1.00000000000000
Cu    P
      0.7320907000           1.00000000000000
Cu    D
     74.129460637            0.01436321667600
     21.359842587            0.08662817709600
      7.4995240537           0.25631430541000
      2.7601394169           0.40374062368000
Cu    D
      1.4592938300           1.00000000000000
Cu    D
      0.6355722500           1.00000000000000
Cu    F
      2.2330000000           1.00000000000000
end
basis "Zn_pob-TZVP" SPHERICAL 
#basis SET: (17s,11p,6d,1f) -> [6s,4p,3d,1f]
Zn    S
 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
Zn    S
    443.88077950            -0.02493427498400
    137.55875267            -0.11817955766000
     22.268083479            0.55367318468000
      9.5217310606           0.52628934936000
Zn    S
     14.874114065           -0.22929955254000
      2.4647517612           0.71135484742000
Zn    S
      1.0113272200           1.00000000000000
Zn    S
      0.322980200            1.00000000000000
Zn    S
      0.1016731100           1.00000000000000
Zn    P
   2205.3508534              0.00233562404480
    522.35300699             0.01903102263400
    167.73055542             0.08995575867500
     62.670045373            0.26113248631000
     25.109749456            0.42348448173000
     10.225142681            0.24618926885000
Zn    P
     40.713442521           -0.03002966759200
      5.6247090696           0.55575254864000
      2.2279949116           0.95581013442000
Zn    P
      1.1601141800           1.00000000000000
Zn    P
      0.2624550000           1.00000000000000
Zn    D
     88.554315311            0.01272817001500
     25.721525557            0.07939449984300
      9.1278367624           0.24491506805000
      3.4312364064           0.40390526479000
Zn    D
      1.1861283200           1.00000000000000
Zn    D
      0.4308920600           1.00000000000000
Zn    F
      2.6140000000           1.00000000000000
end
basis "Ga_pob-TZVP" SPHERICAL 
#basis SET: (17s,12p,8d) -> [6s,5p,4d]
Ga    S
 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
Ga    S
    474.30810613            -0.02674370795800
    147.10297560            -0.12654657542000
     23.982599435            0.58840346839000
     10.298230094            0.56324271589000
Ga    S
     16.050381430           -0.24516439508000
      2.6988468784           0.74578049593000
Ga    S
      1.1590064400           1.00000000000000
Ga    S
      0.5763081300           1.00000000000000
Ga    S
      0.2433825700           1.00000000000000
Ga    P
   2432.0171070              0.00224340659280
    576.12049582             0.01834226533600
    185.11584354             0.08727969716700
     69.246572556            0.25684868351000
     27.818107777            0.42398378107000
     11.420229938            0.25701340043000
Ga    P
     42.819661530           -0.01932651911900
      6.3885901000           0.31571386917000
      2.6698993326           0.57617792822000
Ga    P
      1.0663932200           1.00000000000000
Ga    P
      0.3641398200           1.00000000000000
Ga    P
      0.1148217200           1.00000000000000
Ga    D
    103.92331829             0.01146461365200
     30.371094389            0.07362574738300
     10.872078097            0.23505107382000
      4.1549137954           0.40318563513000
      1.5345659145           0.40824748152000
Ga    D
      1.7915711500           1.00000000000000
Ga    D
      0.7852028800           1.00000000000000
Ga    D
      0.2830723400           1.00000000000000
end
basis "Ge_pob-TZVP" SPHERICAL 
#basis SET: (17s,12p,8d) -> [6s,5p,4d]
Ge    S
 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
Ge    S
    505.74661282            -0.0251846092910
    156.96593744            -0.1189892972100
     25.761448176            0.5493013587000
     11.106654687            0.5293930912900
Ge    S
     17.272059104           -0.2285459572800
      2.9438289048           0.6837793031700
Ge    S
      1.2786569600           1.0000000000000
Ge    S
      0.3368300500           1.0000000000000
Ge    S
      0.16841502500          1.0000000000000
Ge    P
   2633.9346241              0.0022143925310
    624.00161628             0.0181408991410
    200.58528404             0.0866321849220
     75.097081525            0.2564902059200
     30.214388474            0.4265861126200
     12.440087567            0.2620052731300
Ge    P
     45.981316002           -0.0203217676780
      6.9945654416           0.3201374452700
      2.9686001327           0.5905101455500
Ge    P
      1.2044364000           1.0000000000000
Ge    P
      0.4237841000           1.0000000000000
Ge    P
      0.2118920500           1.0000000000000
Ge    D
    119.44887581             0.0105865445210
     35.062915293            0.0696012809450
     12.636924529            0.2280703528700
      4.8888672922           0.4030106722000
      1.8453195392           0.4130484701500
Ge    D
      1.9531065900           1.0000000000000
Ge    D
      0.6401807200           1.0000000000000
Ge    D
      0.1305796200           1.0000000000000
end
basis "As_pob-TZVP" SPHERICAL 
#basis SET: (17s,13p,8d) -> [6s,5p,4d]
As    S
 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
As    S
    538.19512479            -0.02525419729700
    167.14850224            -0.11915461115000
     27.605517159            0.54628495980000
     11.947858521            0.53001520976000
As    S
     18.538023133           -0.23479188136000
      3.2018985739           0.69167053428000
As    S
      1.7882833500           1.00000000000000
As    S
      0.5960944500           1.00000000000000
As    S
      0.2162856800           1.00000000000000
As    P
   2678.9421546              0.00233189552870
    634.61765840             0.01904214997700
    203.93967606             0.09022974491300
     76.323890369            0.26169037693000
     30.664124943            0.41857168155000
     12.505056732            0.23447830190000
As    P
     49.256229549           -0.02123553987000
      7.7274891466           0.30470206668000
      3.5410493476           0.52888373107000
      1.6985585501           0.37272250955000
As    P
      0.8684807100           1.00000000000000
As    P
      0.4172966600           1.00000000000000
As    P
      0.1070219000           1.00000000000000
As    D
    135.33289305             0.00992911441060
     39.860212744            0.06656884349600
     14.446428359            0.22275768307000
      5.6432900356           0.40309224382000
      2.1668188623           0.41671667946000
As    D
      1.8975050400           1.00000000000000
As    D
      0.9487525200           1.00000000000000
As    D
      0.4743762600           1.00000000000000
end
basis "Se_pob-TZVP" SPHERICAL 
#basis SET: (17s,13p,8d) -> [6s,5p,4d]
Se    S
 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
Se    S
    571.57513675            -0.02689570788100
    177.63686375            -0.12670989353000
     29.517767052            0.57699001719000
     12.824399795            0.56369075408000
Se    S
     19.848235841           -0.25132415534000
      3.4744018486           0.72905416980000
Se    S
      1.1988909800           1.00000000000000
Se    S
      0.2102537200           1.00000000000000
Se    S
      0.1000000000           1.00000000000000
Se    P
   2815.3500566              0.00255690268540
    666.92558298             0.02087402690100
    214.34213188             0.09877209625000
     80.246687942            0.28471821221000
     32.251081288            0.45003584934000
     13.106432562            0.24416091055000
Se    P
     53.366108516           -0.02155845627300
      8.1827777195           0.32662310638000
      3.6239945672           0.57740499319000
      1.6341591401           0.34301320826000
Se    P
      0.9841832000           1.00000000000000
Se    P
      0.4396626900           1.00000000000000
Se    P
      0.1000000000           1.00000000000000
Se    D
    151.82910279             0.00939702769880
     44.839992523            0.06408650399100
     16.328999510            0.21834238004000
      6.4305057612           0.40314789649000
      2.5048025169           0.41966491490000
Se    D
      1.1031689800           1.00000000000000
Se    D
      0.4307032000           1.00000000000000
Se    D
      0.21535160000          1.00000000000000
end
basis "Br_pob-TZVP" SPHERICAL 
#basis SET: (17s,13p,8d) -> [6s,5p,4d]
Br    S
 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
Br    S
    606.07824568            -0.0265271587090
    188.45598484            -0.1248458480900
     31.497144506            0.5646868355900
     13.736008320            0.5555526856400
Br    S
     21.203212766           -0.2494092049300
      3.7616420178           0.7121311974300
Br    S
      1.4940008700           1.0000000000000
Br    S
      0.5908622600           1.0000000000000
Br    S
      0.1454311300           1.0000000000000
Br    P
   3019.6955723              0.0024971049798
    715.35481126             0.0204192675960
    229.98328751             0.0968971483090
     86.167844615            0.2805390125200
     34.667870802            0.4460639047300
     14.113870307            0.2441007392300
Br    P
     57.085653082           -0.0218559507100
      8.8193845840           0.3270707532000
      3.9340302872           0.5785522952000
      1.7998830384           0.3357098769800
Br    P
      1.5874541800           1.0000000000000
Br    P
      0.4896365520           1.0000000000000
Br    P
      0.150040570            1.0000000000000
Br    D
    168.85370257             0.0089663981988
     49.977949919            0.0620620593160
     18.274913338            0.2147473238400
      7.2455694631           0.4033533674600
      2.8562315025           0.4220881308000
Br    D
      1.0111406400           1.0000000000000
Br    D
      0.4296930700           1.0000000000000
Br    D
      0.2143006900           1.0000000000000
end
basis "Rb_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,1d) -> [4s,3p,1d]
Rb    S
      7.47446180400          0.269978663630
      6.72961805940         -0.426292518140
Rb    S
      1.55101289000          1.000000000000
Rb    S
      0.47103032000          1.000000000000
Rb    S
      0.15000086000          1.000000000000
Rb    P
      5.67206431940          0.048114224135
      3.33201839560         -0.184851314260
      0.80150054910          0.328118649540
      0.36302220227          0.486731654110
Rb    P
      0.41612560000          1.000000000000
Rb    P
      0.15403522000          1.000000000000
Rb    D
      0.15016226000          1.000000000000
end


ecp "Rb_pob-TZVP"
Rb nelec 28
Rb ul
0       3.574403408           -4.478284427
0       3.565710590           -5.956907509
Rb S
0       5.031683377           89.503949586
0       2.015185434            0.437903605
Rb P
0       4.383544458           19.520470196
0       4.332659280           39.038955357
0       1.374288087            0.170609341
0       1.225772391            0.418499875
Rb D
0       3.415601371           10.482661239
0       3.412863366           15.724060278
0       1.030504898            0.266082838
0       1.019872163            0.408802184
end
basis "Sr_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,1d) -> [4s,3p,1d]
Sr    S
     10.0000000000          -0.185305502620
      8.50000000000          0.339703553760
Sr    S
      1.52131952000          1.000000000000
Sr    S
      0.63584719000          1.000000000000
Sr    S
      0.26638972000          1.000000000000
Sr    P
      7.58830778690          0.033731690287
      3.67313073920         -0.205231850050
      0.90496618455          0.492099726650
      0.43310256408          0.621052965120
Sr    P
      0.39211100000          1.000000000000
Sr    P
      0.18963189000          1.000000000000
Sr    D
      1.78548223000          1.000000000000
end


ecp "Sr_pob-TZVP"
Sr nelec 28
Sr ul
0       4.244198396           -5.509333254
0       4.229164471           -7.304641693
Sr S
0       6.933460990          135.271042909
0       4.114003832           17.944071402
Sr P
0       7.216816623           29.438081345
0       7.173696172           58.880674863
0       3.022798817            4.936282692
0       2.865699030            9.723352071
Sr D
0       6.321514600           11.907239187
0       6.391499495           17.859551440
0       1.769726597            2.199180226
0       1.636771665            2.893570866
end
basis "Y_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,5d,1f) -> [4s,3p,3d,1f]
Y    S
     10.0000000000          -0.174876867960
      8.50000000000          0.341523450840
Y    S
      3.36539055000          1.000000000000
Y    S
      0.68860679000          1.000000000000
Y    S
      0.31191503000          1.000000000000
Y    P
      8.05540936160          0.036410978939
      4.01634587510         -0.208725725470
      1.02329154040          0.489569293350
      0.49843561636          0.606119438330
Y    P
      0.53307662000          1.000000000000
Y    P
      0.18700948000          1.000000000000
Y    D
      3.90308330600         -0.009820979262
      1.13632343020          0.191836296640
      0.45617043877          0.405977885390
Y    D
      0.33346286000          1.000000000000
Y    D
      0.18197880000          1.000000000000
Y    F
      0.26515000000          1.000000000000
end


ecp "Y_pob-TZVP"
Y nelec 28
Y ul
0       5.028590              -6.928078
0       5.005582              -9.155099
Y S
0       7.858275             135.134974
0       3.382128              15.411632
Y P
0       6.849791              29.251437
0       6.710092              58.508363
0       3.042159               3.780243
0       2.937330               7.676547
Y D
0       5.416315              11.849911
0       5.333416              17.778103
0       1.976212               2.062383
0       1.961111               3.075654
end
basis "Zr_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,5d,1f) -> [4s,3p,3d,1f]
Zr    S
     11.0000000000          -0.190755952570
      9.50000000000          0.338955887540
Zr    S
      5.15504020000          1.000000000000
Zr    S
      1.55493930000          1.000000000000
Zr    S
      0.62126150000          1.000000000000
Zr    P
      8.60663055430          0.040404260236
      4.44009799580         -0.211877452010
      1.12810269460          0.491642668910
      0.54346076310          0.573033706580
Zr    P
      0.49792620000          1.000000000000
Zr    P
      0.16451000000          1.000000000000
Zr    D
      4.55679577950         -0.009619056902
      1.29049397970          0.205699901550
      0.51646987222          0.418313818510
Zr    D
      0.32949280000          1.000000000000
Zr    D
      0.18034710000          1.000000000000
Zr    F
      0.39261000000          1.000000000000
end


ecp "Zr_pob-TZVP"
Zr nelec 28
Zr ul
0       4.800215              -5.239320
0       4.798992              -6.987424
Zr S
0       8.636528             150.242994
0       3.717639              18.780036
Zr P
0       7.626728              33.192791
0       7.453207              66.389039
0       3.358389               4.620726
0       3.229738               9.260270
Zr D
0       5.938086              13.993383
0       5.825544              20.995882
0       2.205019               2.285166
0       2.206292               3.441260
end
basis "Nb_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,5d,1f) -> [4s,3p,3d,1f]
Nb    S
     12.0000000000          -0.202195075300
     10.5000000000           0.336401059390
Nb    S
      3.96045430000          1.000000000000
Nb    S
      0.80052260000          1.000000000000
Nb    S
      0.40265875000          1.000000000000
Nb    P
      9.20562856460          0.043347689874
      4.86796321250         -0.213024792330
      1.24421557920          0.481021271360
      0.60390590312          0.539178589600
Nb    P
      0.67967676000          1.000000000000
Nb    P
      0.28628779000          1.000000000000
Nb    D
      4.61709758670         -0.013574476955
      1.56634384800          0.203743104960
      0.66952425826          0.429974531050
Nb    D
      0.67140946867          1.000000000000
Nb    D
      0.35054426592          1.000000000000
Nb    F
      0.52270000000          1.000000000000
end


ecp "Nb_pob-TZVP"
Nb nelec 28
Nb ul
0       5.568285              -6.281354
0       5.671372              -8.755644
Nb S
0       9.376578             165.156736
0       4.043572              21.823951
Nb P
0       8.363609              37.249284
0       8.166898              74.507389
0       3.693075               5.439486
0       3.551047              10.913252
Nb D
0       6.689108              15.214549
0       6.537193              22.833508
0       2.551118               3.000052
0       2.567896               4.553734
end
basis "Mo_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,5d,1f) -> [4s,3p,3d,1f]
Mo    S
     14.0000000000          -0.224900434060
     12.5000000000           0.331512485550
Mo    S
      2.22516084000          1.000000000000
Mo    S
      0.86385359000          1.000000000000
Mo    S
      0.31636276000          1.000000000000
Mo    P
      1.34750494000          1.000000000000
Mo    P
      8.89311179150          0.069994449475
      5.46891122700         -0.235471418830
      1.35484730070          0.463154600070
      0.65494867461          0.488201847100
Mo    P
      0.33245916000          1.000000000000
Mo    D
      5.00444454970         -0.021587364862
      1.77368233240          0.209586800860
      0.76950591696          0.437308805990
Mo    D
      0.68684632000          1.000000000000
Mo    D
      0.33189800000          1.000000000000
Mo    F
      1.05545000000          1.000000000000
end


ecp "Mo_pob-TZVP"
Mo nelec 28
Mo ul
0       6.306633              -7.178888
0       6.356448              -9.745978
Mo S
0      10.097000             180.076853
0       4.375670              24.715920
Mo P
0       9.126564              41.227678
0       8.863223              82.452670
0       4.044948               6.345092
0       3.866657              12.458423
Mo D
0       7.535754              19.308744
0       7.278976              28.977674
0       2.763205               3.189516
0       2.772085               4.700169
end
basis "Ru_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,5d,1f) -> [4s,3p,3d,1f]
Ru    S
     16.0000000000          -0.206340029190
     13.9105816940           0.335504377250
Ru    S
      4.91760343000          1.000000000000
Ru    S
      1.05023798000          1.000000000000
Ru    S
      0.42567096000          1.000000000000
Ru    P
     11.1872086710           0.053225073263
      6.24776887340         -0.227316620500
      1.62794728590          0.478694860560
      0.79326493538          0.502133115670
Ru    P
      0.72729552000          1.000000000000
Ru    P
      0.39101713000          1.000000000000
Ru    D
      5.73418466190         -0.035266111560
      2.24836862940          0.218025022220
      0.98376978359          0.447095650130
Ru    D
      0.38873952000          1.000000000000
Ru    D
      0.15001631000          1.000000000000
Ru    F
      0.94314000000          1.000000000000
end


ecp "Ru_pob-TZVP"
Ru nelec 28
Ru ul
0       7.820249              -8.847525
0       7.839647             -11.835518
Ru S
0      11.500590             209.786493
0       5.068575              30.214307
Ru P
0      10.532634              48.751244
0      10.192010              97.496529
0       4.734892               7.860188
0       4.509065              15.329751
Ru D
0       8.877977              26.967506
0       8.766122              40.432303
0       3.170196               3.340758
0       3.228851               5.256352
end
basis "Rh_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,6d,1f) -> [4s,3p,3d,1f]
Rh    S
     17.0000000000          -0.166908031390
     13.9105816940           0.342350016520
Rh    S
      5.60215580000          1.000000000000
Rh    S
      1.02313748000          1.000000000000
Rh    S
      0.20910894000          1.000000000000
Rh    P
     11.7671036310           0.059494859388
      6.74851330830         -0.237358534770
      1.75026798340          0.490193343030
      0.84321166133          0.506239337510
Rh    P
      0.81404324000          1.000000000000
Rh    P
      0.34365143000          1.000000000000
Rh    D
     19.8578301360           0.006696077819
     10.0613781390          -0.021981738213
      2.26195464770          0.379187062360
      0.97098845035          0.672899765920
Rh    D
      0.38353699000          1.000000000000
Rh    D
      0.15000226000          1.000000000000
Rh    F
      1.09499000000          1.000000000000
end


ecp "Rh_pob-TZVP"
Rh nelec 28
Rh ul
0       8.616228              -9.673568
0       8.629435             -12.899847
Rh S
0      12.194816             225.312054
0       5.405137              32.441582
Rh P
0      11.280755              52.872826
0      10.927248             105.745526
0       5.090117               8.619344
0       4.851832              16.973459
Rh D
0       9.136337              25.108501
0       8.964808              37.695731
0       3.643612               4.202584
0       3.636007               6.292790
end
basis "Pd_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,6d,1f) -> [4s,3p,3d,1f]
Pd    S
     18.000000000           -0.166053885980
     14.662134308            0.348999550550
Pd    S
      2.7664341900           1.000000000000
Pd    S
      1.2360194500           1.000000000000
Pd    S
      0.5036400300           1.000000000000
Pd    P
     12.552899300            0.061728998206
      7.2444496380          -0.241786267530
      1.8905941078           0.494532009150
      0.9073716876           0.504543626260
Pd    P
      0.8417222700           1.000000000000
Pd    P
      0.4066588400           1.000000000000
Pd    D
     22.357457575            0.003955947955
     10.682526382           -0.014039011601
      2.4858232550           0.242194767760
      1.0735333903           0.425802832810
Pd    D
      0.4357297000           1.000000000000
Pd    D
      0.1500019900           1.000000000000
Pd    F
      1.2462900000           1.000000000000
end


ecp "Pd_pob-TZVP"
Pd nelec 28
Pd ul
0       9.679571             -10.987255
0       9.691349             -14.626190
Pd S
0      12.798825             240.262789
0       5.800528              34.729961
Pd P
0      11.874697              56.746929
0      11.474335             113.444417
0       5.515999               9.345639
0       5.248043              18.345447
Pd D
0       8.502212              28.595554
0       7.983324              43.453921
0       3.107628               1.852286
0       2.476734               1.406765
end
basis "Ag_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,6d,1f) -> [4s,3p,3d,1f]
Ag    S
     19.0000000000          -0.166001041410
     15.4281999330           0.356650959180
Ag    S
      6.19396860000          1.000000000000
Ag    S
      1.25778091000          1.000000000000
Ag    S
      0.38143809000          1.000000000000
Ag    P
     13.1881801800           0.066928737147
      7.79527891380         -0.247352354090
      2.03515719120          0.491542802160
      0.98093914842          0.497416090060
Ag    P
      0.37969688000          1.000000000000
Ag    P
      0.15000001000          1.000000000000
Ag    D
     25.7843973510           0.003564506308
     11.3966367550          -0.012984262784
      2.73455813610          0.241088265480
      1.18735836050          0.424123307440
Ag    D
      0.47680698000          1.000000000000
Ag    D
      0.16383819000          1.000000000000
Ag    F
      1.39711000000          1.000000000000
end


ecp "Ag_pob-TZVP"
Ag nelec 28
Ag ul
0      11.012913             -12.623403
0      11.019898             -16.764327
Ag S
0      12.567714             255.054771
0       6.997662              36.983393
Ag P
0      11.316496              60.715705
0      10.958063             121.443889
0       7.111400              10.171866
0       6.773319              20.486564
Ag D
0       8.928437              29.504938
0      11.102567              44.018736
0       5.543212               5.368333
0       3.928835               7.408375
end
basis "Cd_pob-TZVP" SPHERICAL 
#basis SET: (5s,6p,6d,1f) -> [4s,3p,3d,1f]
Cd    S
     20.000000000           -0.174011969270
     16.309051661            0.371372771940
Cd    S
      6.8463938700           1.000000000000
Cd    S
      1.2760130100           1.000000000000
Cd    S
      0.2555898500           1.000000000000
Cd    P
     14.000681404            0.069333062793
      8.3094019872          -0.254201036810
      2.2020058122           0.492009803680
      1.0779246137           0.497021181310
Cd    P
      0.4847503100           1.000000000000
Cd    P
      0.1531046400           1.000000000000
Cd    D
     30.380789793            0.003254512384
     11.474551578           -0.014212074843
      3.0507394903           0.249617564360
      1.3622028524           0.449056351760
Cd    D
      0.5420052100           1.000000000000
Cd    D
      0.1728955300           1.000000000000
Cd    F
      1.5981300000           1.000000000000
end


ecp "Cd_pob-TZVP"
Cd nelec 28
Cd ul
0      11.478986             -12.632785
0      11.487027             -16.760171
Cd S
0      13.355176             270.039448
0       7.308378              38.877766
Cd P
0      12.659728              64.607470
0      12.289639             129.219445
0       6.786176              10.622558
0       6.400743              21.265046
Cd D
0      11.161722              31.663965
0      11.219615              47.489216
0       4.537733               5.186200
0       4.335727               7.566063
end
basis "In_pob-TZVP" SPHERICAL 
#basis SET: (8s,8p,9d) -> [4s,4p,4d]
In    S
    847.79276774             0.00012432052471
     72.041054824            0.00236003676070
     41.061316522           -0.00855882994530
     12.407609713            0.62952032489000
In    S
     11.640316941            1.55434292000000
      6.3695642727           0.67492488361000
In    S
      1.4405207000           1.00000000000000
In    S
      0.3197787000           1.00000000000000
In    P
    268.28136685             0.00011542193636
     14.781553782            0.07777983029200
      8.8041476194          -0.28332389472000
In    P
      2.3717277227           0.47896111744000
      1.1927065422           0.48293819961000
      0.5835281204           0.16843883728000
In    P
      0.2841177000           1.00000000000000
In    P
      0.1500026000           1.00000000000000
In    D
     94.282575063            0.00043652729696
     19.716431102            0.63918753088000
     19.600106824           -0.64663115577000
      3.5643186737           0.21187579614000
      1.7017801400           0.42129321741000
      0.7645661553           0.38418127707000
In    D
      0.5329607600           1.00000000000000
In    D
      0.3870051000           1.00000000000000
In    D
      0.1657772000           1.00000000000000
end


ecp "In_pob-TZVP"
In nelec 28
In ul
0      12.539056             -13.728078
0      12.552561             -18.206866
In S
0      15.392822             281.122350
0       8.055864              61.901470
In P
0      13.928672              67.462154
0      13.347234             134.949250
0       7.614132              14.746140
0       7.318365              29.639262
In D
0      14.034715              35.493254
0      14.511616              53.178773
0       5.550550               9.177281
0       5.059415              12.392410
end
basis "Sn_pob-TZVP" SPHERICAL 
#basis SET: (8s,8p,9d) -> [4s,4p,4d]
Sn    S
   1577.07159310             0.000170427677
    235.266010780            0.000814670573
     38.2063306450          -0.003905790429
     13.0970317650           0.532459223430
Sn    S
     11.6814927590           1.543528727500
      5.96476043610          0.764215100410
Sn    S
      1.73827374000          1.000000000000
Sn    S
      0.66132269000          1.000000000000
Sn    P
    221.557674960            0.000311251780
     21.0840214330           0.031108097016
      8.76001385210         -0.275715609180
Sn    P
      2.59129097220          0.459123286660
      1.34268011570          0.496828672170
      0.67732735829          0.189623778210
Sn    P
      0.73354714000          1.000000000000
Sn    P
      0.41863762000          1.000000000000
Sn    D
    108.332101540            0.000465618533
     23.7039366300           0.054063163067
     22.3398439060          -0.058928768877
      4.08748340280          0.195885008960
      1.97373541460          0.423017991850
      0.90158257692          0.392527161760
Sn    D
      0.87555729000          1.000000000000
Sn    D
      0.52000000000          1.000000000000
Sn    D
      0.32000000000          1.000000000000
end


ecp "Sn_pob-TZVP"
Sn nelec 28
Sn ul
0      12.282348             -12.576333
0      12.272150             -16.595944
Sn S
0      17.420414             279.988682
0       7.631155              62.377810
Sn P
0      16.131024              66.162523
0      15.628077             132.174396
0       7.325608              16.339417
0       6.942519              32.488959
Sn D
0      15.514976              36.387441
0      15.188160              54.507841
0       5.456024               8.696823
0       5.363105              12.840208
end
basis "Sb_pob-TZVP" SPHERICAL 
#basis SET: (8s,8p,9d) -> [4s,4p,4d]
Sb    S
   1612.41999330             0.000285403808
    238.844520970            0.001339377875
     23.9981188090          -0.049388154574
     15.1931242130           0.433922272540
Sb    S
     11.7364097330           0.921255199650
      6.52597747940          0.792352802260
Sb    S
      1.58348739000          1.000000000000
Sb    S
      0.18345132000          1.000000000000
Sb    P
    215.683933540            0.000260518232
     16.3744790880           0.073728000195
      9.72162833450         -0.272300281280
Sb    P
      2.79826431540          0.464726923740
      1.47110450330          0.503642420750
      0.75165385301          0.187066662940
Sb    P
      0.37211239000          1.000000000000
Sb    P
      0.12000001000          1.000000000000
Sb    D
    115.903122530            0.000531409151
     30.4742337200           0.005941113917
     18.2284182390          -0.010563706947
      4.32914566460          0.203481773410
      2.12948184960          0.427483789280
      0.99682636692          0.385395608090
Sb    D
      0.62366245000          1.000000000000
Sb    D
      0.31224235000          1.000000000000
Sb    D
      0.12000012000          1.000000000000
end


ecp "Sb_pob-TZVP"
Sb nelec 28
Sb ul
0      14.444978             -15.366801
0      14.449295             -20.296138
Sb S
0      16.330865             281.071581
0       8.556542              61.716604
Sb P
0      14.470337              67.457380
0      13.816194             134.933503
0       8.424924              14.716344
0       8.092728              29.518512
Sb D
0      14.886331              35.447815
0      15.146319              53.143466
0       5.908267               9.179223
0       5.594322              13.240253
end
basis "Te_pob-TZVP" SPHERICAL 
#basis SET: (9s,8p,9d) -> [4s,4p,4d]
Te    S
   6213.20016500             0.000173920733
    920.896400170            0.001193358984
    199.280427080            0.003625655678
     24.7742330980          -0.059791033012
     14.8381991690           0.959432032630
Te    S
     12.2787619540           0.759424299360
      6.38078455320          0.353316895420
Te    S
      1.68979696000          1.000000000000
Te    S
      0.19518007000          1.000000000000
Te    P
    204.294008520            0.000406054068
     18.2087593580           0.060255451613
      9.92110243020         -0.274916712770
Te    P
      3.14415286850          0.431548499740
      1.72208840310          0.554030791100
      0.89098945714          0.240873112270
Te    P
      0.50599144000          1.000000000000
Te    P
      0.15135485000          1.000000000000
Te    D
    121.510552490            0.000634906290
     32.9687943960           0.006181193632
     19.2498624510          -0.008892982522
      4.71984072540          0.201598847640
      2.34280614160          0.429760490130
      1.11353794120          0.382471267510
Te    D
      1.15243468000          1.000000000000
Te    D
      0.47220583000          1.000000000000
Te    D
      0.15628260000          1.000000000000
end


ecp "Te_pob-TZVP"
Te nelec 28
Te ul
0      15.206168             -15.745450
0      15.201702             -20.742448
Te S
0      16.814473             281.045843
0       8.793526              61.620656
Te P
0      14.877801              67.449464
0      14.269731             134.904304
0       8.724435              14.689547
0       8.291515              29.415063
Te D
0      15.205008              35.432057
0      15.225848              53.135687
0       6.071769               9.069802
0       5.804760              13.122304
end
basis "I_pob-TZVP" SPHERICAL 
#basis SET: (9s,9p,9d) -> [4s,4p,4d]
I    S
   5899.5791533              0.000241882693
    898.54238765             0.001547404174
    200.37237912             0.004283668446
     31.418053840           -0.039417936275
     15.645987838            0.960866919920
I    S
     11.815741857            0.759615240910
      6.4614458287           0.424955018350
I    S
      1.7933192200           1.000000000000
I    S
      0.2228922900           1.000000000000
I    P
    197.30030547             0.000739512269
     20.061411349            0.066168450008
      9.7631460485          -0.285546623480
I    P
     12.984316904           -0.049096186164
      3.6199503008           0.389144324820
      2.0232273090           0.656108172620
      1.0367490559           0.318035516470
I    P
      0.4757919900           1.000000000000
I    P
      0.1500000000           1.000000000000
I    D
      2.5367766300           1.000000000000
I    D
    119.12671745             0.000825960396
     33.404240134            0.006837767577
     17.805918203           -0.010308158997
      4.8990510353           0.226704576580
      2.4516753106           0.441801139370
      1.1820693432           0.367754722250
I    D
      0.6886907200           1.000000000000
I    D
      0.2068443800           1.000000000000
end


ecp "I_pob-TZVP"
I nelec 28
I ul
0      18.522950             -20.176618
0      18.251035             -26.088077
0       7.557901              -0.220434
0       7.597404              -0.221646
I S
0      40.033376              49.989649
0      17.300576             281.006556
0       8.851720              61.416739
I P
0      15.720141              67.416239
0      15.208222             134.807696
0       8.294186              14.566548
0       7.753949              28.968422
I D
0      13.817751              35.538756
0      13.587805              53.339759
0       6.947630               9.716466
0       6.960099              14.977500
end
