# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# Wachters+f version number 0
# Description: VDZP    Valence Double Zeta + Polarization on All Atoms
# 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
# 
#  Sc-Cu
#      VDZP    Valence Double Zeta + Polarization on All Atoms
#          wachters1969a wachters1970a
# 
#      Diffuse p functions for wachters+f
#          bauschlicher1989a
# 
#      Diffuse d functions for wachters+f
#          hay1977a
# 
#      Additional F functions for Wachters-f basis set
#          bauschlicher1989a
# 
# 
# 
# bauschlicher1989a
#     Bauschlicher, Charles W., Langhoff, Stephen R., Partridge, Harry,
#             Barnes, Leslie A.
#     Theoretical studies of the first- and second-row transition-metal
#             methyls and their positive ions
#     J. Chem. Phys. 91, 2399-2411 (1989)
#     10.1063/1.456998
# 
# hay1977a
#     Hay, P. Jeffrey
#     Gaussian basis sets for molecular calculations. The representation of
#             3d orbitals in transition‐metal atoms
#     J. Chem. Phys. 66, 4377-4384 (1977)
#     10.1063/1.433731
# 
# wachters1969a
#     Wachters, A. J. H.
#     
#     Gaussian basis set for Molecular Wave Functions Containing Third-Row
#             Atoms
#     'IBM Research Divisaion'
#     Technical Report RJ 584, 1969
# 
# wachters1970a
#     Wachters, A. J. H.
#     Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row
#             Atoms
#     J. Chem. Phys. 52, 1033-1036 (1970)
#     10.1063/1.1673095
# 
# # 
basis "Sc_Wachters+f" SPHERICAL 
#basis SET: (14s,11p,6d,3f) -> [8s,6p,4d,1f]
Sc    S
 188961.0000000              0.0002500
  28491.4000000              0.0019300
   6572.4300000              0.0098000
   1881.0300000              0.0394000
    617.9790000              0.1253200
    225.1270000              0.2957700
Sc    S
     88.5664000              0.4190000
     36.5819000              0.2413900
Sc    S
     11.0358000              1.0000000
Sc    S
      4.4906300              1.0000000
Sc    S
      1.1293500              1.0000000
Sc    S
      0.4546130              1.0000000
Sc    S
      0.0775330              1.0000000
Sc    S
      0.0307900              1.0000000
Sc    P
   1113.8200000              0.0022300
    266.2440000              0.0176400
     86.5763000              0.0812300
Sc    P
     32.5934000              0.2404000
     13.2190000              0.4251700
      5.5835700              0.3597200
Sc    P
      2.1859400              1.0000000
Sc    P
      0.8950110              0.5760200
      0.3519750              0.3089000
Sc    P
      0.1346200              1.0000000
Sc    P
      0.0465480              1.0000000
Sc    D
     22.4283000              0.0214000
      6.0347900              0.1130400
      1.9790500              0.3139300
Sc    D
      0.6667500              1.0000000
Sc    D
      0.2182310              1.0000000
Sc    D
      0.0588000              1.0000000
Sc    F
      0.8918597              0.1737857
      0.3198414              0.5973381
      0.1369599              0.3929396
end
basis "Ti_Wachters+f" SPHERICAL 
#basis SET: (14s,11p,6d,3f) -> [8s,6p,4d,1f]
Ti    S
 206082.0000000              0.0002500
  31226.8000000              0.0019300
   7199.3200000              0.0098800
   2048.7500000              0.0399400
    670.7900000              0.1273700
    243.6500000              0.2998100
Ti    S
     95.9250000              0.4182500
     39.8101000              0.2358200
Ti    S
     12.2205000              1.0000000
Ti    S
      5.0088200              1.0000000
Ti    S
      1.2856900              1.0000000
Ti    S
      0.5128060              1.0000000
Ti    S
      0.0855760              1.0000000
Ti    S
      0.0333020              1.0000000
Ti    P
   1264.7000000              0.0021400
    301.2300000              0.0172500
     96.9777000              0.0811700
Ti    P
     36.3727000              0.2414300
     14.7814000              0.4263100
      6.2746500              0.3571400
Ti    P
      2.4787800              1.0000000
Ti    P
      1.0161800              0.5770900
      0.3981620              0.2998600
Ti    P
      0.1523400              1.0000000
Ti    P
      0.0510800              1.0000000
Ti    D
     25.9924000              0.0225300
      7.0863400              0.1196100
      2.3487100              0.3270000
Ti    D
      0.8001980              1.0000000
Ti    D
      0.2620490              1.0000000
Ti    D
      0.0720000              1.0000000
Ti    F
      1.3935308              0.1737857
      0.4997522              0.5973381
      0.2139998              0.3929396
end
basis "V_Wachters+f" SPHERICAL 
#basis SET: (14s,11p,6d,3f) -> [8s,6p,4d,1f]
V    S
 226878.0000000              0.0002500
  33899.6000000              0.0019700
   7720.2400000              0.0101700
   2191.5300000              0.0409800
    719.1690000              0.1298000
    262.0860000              0.3025900
V    S
    103.6530000              0.4163700
     43.2548000              0.2313300
V    S
     13.5088000              1.0000000
V    S
      5.5671500              1.0000000
V    S
      1.4517400              1.0000000
V    S
      0.5744450              1.0000000
V    S
      0.0928200              1.0000000
V    S
      0.0355320              1.0000000
V    P
   1398.4300000              0.0021400
    331.5710000              0.0173500
    107.0020000              0.0812800
V    P
     40.3183000              0.2413000
     16.4635000              0.4262200
      7.0235200              0.3557800
V    P
      2.7902500              1.0000000
V    P
      1.1460900              0.5769300
      0.4472720              0.2947000
V    P
      0.1668720              1.0000000
V    P
      0.0545670              1.0000000
V    D
     30.2212000              0.0227000
      8.2721800              0.1224800
      2.7582300              0.3328600
V    D
      0.9421370              1.0000000
V    D
      0.3052980              1.0000000
V    D
      0.0820000              1.0000000
V    F
      2.0066843              0.1737857
      0.7196432              0.5973381
      0.3081598              0.3929396
end
basis "Cr_Wachters+f" SPHERICAL 
#basis SET: (14s,11p,6d,3f) -> [8s,6p,4d,1f]
Cr    S
 236658.0000000              0.0002700
  35364.0000000              0.0020800
   8058.3100000              0.0107100
   2294.2300000              0.0428400
    756.1180000              0.1342000
    277.0000000              0.3079800
Cr    S
    110.1790000              0.4136100
     46.3710000              0.2224100
Cr    S
     14.8215000              1.0000000
Cr    S
      6.1326200              1.0000000
Cr    S
      1.6295900              1.0000000
Cr    S
      0.6411770              1.0000000
Cr    S
      0.0995110              1.0000000
Cr    S
      0.0375880              1.0000000
Cr    P
   1478.7700000              0.0022800
    351.4900000              0.0183600
    113.8260000              0.0850300
Cr    P
     43.1567000              0.2476100
     17.7775000              0.4271800
      7.6612800              0.3457900
Cr    P
      3.0776500              1.0000000
Cr    P
      1.2661900              0.5749000
      0.4935340              0.2847300
Cr    P
      0.1810100              1.0000000
Cr    P
      0.0579200              1.0000000
Cr    D
     34.0221000              0.0232800
      9.4316100              0.1256400
      3.1591800              0.3389700
Cr    D
      1.0799500              1.0000000
Cr    D
      0.3465820              1.0000000
Cr    D
      0.0912000              1.0000000
Cr    F
      2.7313203              0.1737857
      0.9795143              0.5973381
      0.4194397              0.3929396
end
basis "Mn_Wachters+f" SPHERICAL 
#basis SET: (14s,11p,6d,3f) -> [8s,6p,4d,1f]
Mn    S
 243694.0000000              0.0002900
  35995.0000000              0.0022500
   8223.5600000              0.0115200
   2353.1200000              0.0455900
    780.9650000              0.1403900
    288.5190000              0.3147200
Mn    S
    115.7010000              0.4097400
     49.1175000              0.2107900
Mn    S
     16.0885000              1.0000000
Mn    S
      6.7043000              1.0000000
Mn    S
      1.8051700              1.0000000
Mn    S
      0.7030110              1.0000000
Mn    S
      0.1063850              1.0000000
Mn    S
      0.0396160              1.0000000
Mn    P
   1500.3900000              0.0025800
    358.8000000              0.0204800
    116.6990000              0.0929300
Mn    P
     44.6132000              0.2607400
     18.5985000              0.4288900
      8.1377800              0.3259800
Mn    P
      3.3373400              1.0000000
Mn    P
      1.3789500              0.5693500
      0.5386390              0.2735400
Mn    P
      0.1914750              1.0000000
Mn    P
      0.0604200              1.0000000
Mn    D
     37.8977000              0.0240900
     10.5201000              0.1307300
      3.5376400              0.3464800
Mn    D
      1.2121700              1.0000000
Mn    D
      0.3879120              1.0000000
Mn    D
      0.1054000              1.0000000
Mn    F
      3.5674388              0.1737857
      1.2793657              0.5973381
      0.5478396              0.3929396
end
basis "Fe_Wachters+f" SPHERICAL 
#basis SET: (14s,11p,6d,3f) -> [8s,6p,4d,1f]
Fe    S
 257539.0000000              0.0002900
  38636.9000000              0.0022600
   8891.4400000              0.0115200
   2544.0100000              0.0456600
    844.7770000              0.1403500
    312.5270000              0.3142000
Fe    S
    125.5930000              0.4087800
     53.4987000              0.2116300
Fe    S
     17.7151000              1.0000000
Fe    S
      7.3767700              1.0000000
Fe    S
      2.0184700              1.0000000
Fe    S
      0.7799350              1.0000000
Fe    S
      0.1142200              1.0000000
Fe    S
      0.0418890              1.0000000
Fe    P
   1678.4000000              0.0024900
    396.3920000              0.0201500
    128.5880000              0.0919900
Fe    P
     49.1158000              0.2599100
     20.5035000              0.4288700
      8.9871200              0.3269100
Fe    P
      3.6824900              1.0000000
Fe    P
      1.5217500              0.5692500
      0.5926840              0.2686300
Fe    P
      0.2023700              1.0000000
Fe    P
      0.0627600              1.0000000
Fe    D
     41.4526000              0.0251100
     11.5403000              0.1362600
      3.8854300              0.3532300
Fe    D
      1.3238000              1.0000000
Fe    D
      0.4166800              1.0000000
Fe    D
      0.1133000              1.0000000
Fe    F
      4.5150397              0.1737857
      1.6191972              0.5973381
      0.6933595              0.3929396
end
basis "Co_Wachters+f" SPHERICAL 
#basis SET: (14s,11p,6d,3f) -> [8s,6p,4d,1f]
Co    S
 270991.0000000              0.0003100
  39734.8000000              0.0024200
   9057.4600000              0.0123800
   2598.2100000              0.0484900
    868.2000000              0.1467200
    323.4310000              0.3212700
Co    S
    130.8600000              0.4049700
     56.1219000              0.1996100
Co    S
     18.9219000              1.0000000
Co    S
      7.9523800              1.0000000
Co    S
      2.1975400              1.0000000
Co    S
      0.8467130              1.0000000
Co    S
      0.1222660              1.0000000
Co    S
      0.0441720              1.0000000
Co    P
   1636.2100000              0.0029600
    390.9030000              0.0233600
    127.8840000              0.1034300
Co    P
     49.2413000              0.2795400
     20.7512000              0.4326800
      9.2036800              0.2986100
Co    P
      3.8177900              1.0000000
Co    P
      1.5876200              0.5562500
      0.6246600              0.2434500
Co    P
      0.2119620              1.0000000
Co    P
      0.0651030              1.0000000
Co    D
     44.9774000              0.0262700
     12.5690000              0.1418200
      4.2442200              0.3594200
Co    D
      1.4433000              1.0000000
Co    D
      0.4499650              1.0000000
Co    D
      0.1219000              1.0000000
Co    F
      5.5741231              0.1737857
      1.9990089              0.5973381
      0.8559993              0.3929396
end
basis "Ni_Wachters+f" SPHERICAL 
#basis SET: (14s,11p,6d,3f) -> [8s,6p,4d,1f]
Ni    S
 284878.0000000              0.0003200
  41997.9000000              0.0024600
   9627.6700000              0.0125400
   2761.9600000              0.0492600
    920.4880000              0.1495000
    341.8050000              0.3264000
Ni    S
    138.0230000              0.4047400
     59.2587000              0.1918600
Ni    S
     20.3712000              1.0000000
Ni    S
      8.5940000              1.0000000
Ni    S
      2.3941700              1.0000000
Ni    S
      0.9181690              1.0000000
Ni    S
      0.1301760              1.0000000
Ni    S
      0.0463920              1.0000000
Ni    P
   1774.1800000              0.0029500
    423.4030000              0.0233700
    138.3110000              0.1040600
Ni    P
     53.1703000              0.2822600
     22.3874000              0.4348600
      9.9284800              0.2944200
Ni    P
      4.1162500              1.0000000
Ni    P
      1.7103100              0.5527300
      0.6725280              0.2344100
Ni    P
      0.2198820              1.0000000
Ni    P
      0.0666700              1.0000000
Ni    D
     48.9403000              0.0270600
     13.7169000              0.1459800
      4.6395100              0.3641800
Ni    D
      1.5743300              1.0000000
Ni    D
      0.4864090              1.0000000
Ni    D
      0.1316000              1.0000000
Ni    F
      6.7446890              0.1737857
      2.4188007              0.5973381
      1.0357592              0.3929396
end
basis "Cu_Wachters+f" SPHERICAL 
#basis SET: (14s,11p,6d,3f) -> [8s,6p,4d,1f]
Cu    S
 337200.0000000              0.0002800
  50072.9000000              0.0021700
  11373.4000000              0.0112200
   3239.8200000              0.0446210
   1071.9700000              0.1383600
    395.0990000              0.3125500
Cu    S
    158.3990000              0.4106000
     67.3591000              0.2145300
Cu    S
     22.2983000              1.0000000
Cu    S
      9.3935700              1.0000000
Cu    S
      2.5784800              1.0000000
Cu    S
      0.9640800              1.0000000
Cu    S
      0.1133030              1.0000000
Cu    S
      0.0407910              1.0000000
Cu    P
   2245.2900000              0.0022600
    532.1060000              0.0184100
    172.1950000              0.0864600
Cu    P
     65.3239000              0.2545000
     27.0551000              0.4341900
     11.7435000              0.3339000
Cu    P
      4.6938200              1.0000000
Cu    P
      1.9066700              0.5693600
      0.7114450              0.2470200
Cu    P
      0.2325980              1.0000000
Cu    P
      0.0692990              1.0000000
Cu    D
     48.5439000              0.0309700
     13.5490000              0.1619600
      4.5162800              0.3781200
Cu    D
      1.4732900              1.0000000
Cu    D
      0.4148750              1.0000000
Cu    D
      0.1491000              1.0000000
Cu    F
      8.0267373              0.1737857
      2.8785728              0.5973381
      1.2326390              0.3929396
end
