# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# binning 962(df) version number 0
# Description: Binning/Curtiss 962 + df polarization
# 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
# 
#  Ga-Kr
#      VTZ     Valence Triple Zeta: 3 Functions/valence AO
#          binning1990a dunning1977a
# 
#      1P      Polarization functions
#          binning1990a
# 
#      Binning-Curtiss (df) Polarization
#          binning1990a dunning1977a
# 
# 
# 
# binning1990a
#     Binning, R. C., Curtiss, L. A.
#     Compact contracted basis sets for third-row atoms: Ga-Kr
#     J. Comput. Chem. 11, 1206-1216 (1990)
#     10.1002/jcc.540111013
# 
# dunning1977a
#     Dunning, Thom H.
#     Gaussian basis sets for the atoms gallium through krypton
#     J. Chem. Phys. 66, 1382-1383 (1977)
#     10.1063/1.434039
# 
# # 
basis "Ga_binning 962(df)" SPHERICAL 
#basis SET: (14s,11p,6d,1f) -> [9s,6p,3d,1f]
Ga    S
 457600.00000                0.000221
  68470.00000                0.001722
  15590.00000                0.008866
   4450.00000                0.035919
   1472.00000                0.114460
    541.30000                0.281630
Ga    S
    214.80000                1.000000
Ga    S
     88.81000                1.000000
Ga    S
     27.18000                1.000000
Ga    S
     11.54000                1.000000
Ga    S
      3.303000               1.000000
Ga    S
      1.334000               1.000000
Ga    S
      0.194700               1.000000
Ga    S
      0.071580               1.000000
Ga    P
   3274.000000               0.001474
    765.400000               0.013270
    241.600000               0.065384
     89.390000               0.229610
     36.360000               0.399290
     15.600000               0.435930
Ga    P
      6.472000               1.000000
Ga    P
      2.748000               1.000000
Ga    P
      1.090000               1.000000
Ga    P
      0.220200               1.000000
Ga    P
      0.061300               1.000000
Ga    D
     59.660000               0.031960
     17.100000               0.163580
      6.030000               0.367200
      2.171000               0.457040
Ga    D
      0.684400               1.000000
Ga    D
      0.141000               1.000000
Ga    F
      0.1670000              1.0000000
end
basis "Ge_binning 962(df)" SPHERICAL 
#basis SET: (14s,11p,6d,1f) -> [9s,6p,3d,1f]
Ge    S
 489000.000000               0.000222
  73100.000000               0.001728
  16640.000000               0.008950
   4742.000000               0.035905
   1569.000000               0.112840
    577.000000               0.287480
Ge    S
    229.000000               1.000000
Ge    S
     94.810000               1.000000
Ge    S
     29.220000               1.000000
Ge    S
     12.450000               1.000000
Ge    S
      3.642000               1.000000
Ge    S
      1.502000               1.000000
Ge    S
      0.246200               1.000000
Ge    S
      0.092090               1.000000
Ge    P
   3596.000000               0.001442
    843.700000               0.012442
    266.200000               0.064694
     98.280000               0.218665
     39.930000               0.393350
     17.140000               0.434530
Ge    P
      7.157000               1.000000
Ge    P
      3.068000               1.000000
Ge    P
      1.246000               1.000000
Ge    P
      0.279500               1.000000
Ge    P
      0.083400               1.000000
Ge    D
     70.180000               0.028770
     20.070000               0.155250
      7.059000               0.368140
      2.553000               0.465780
Ge    D
      0.830100               1.000000
Ge    D
      0.202000               1.000000
Ge    F
      0.2670000              1.0000000
end
basis "As_binning 962(df)" SPHERICAL 
#basis SET: (14s,11p,6d,1f) -> [9s,6p,3d,1f]
As    S
 526200.000000               0.000220
  78310.000000               0.001720
  17800.000000               0.008890
   5070.000000               0.035350
   1677.000000               0.112260
    617.000000               0.286250
As    S
    245.000000               1.000000
As    S
    101.500000               1.000000
As    S
     31.390000               1.000000
As    S
     13.430000               1.000000
As    S
      4.000000               1.000000
As    S
      1.683000               1.000000
As    S
      0.300300               1.000000
As    S
      0.113700               1.000000
As    P
   3909.000000               0.001330
    924.000000               0.011400
    291.800000               0.059810
    107.500000               0.205110
     43.620000               0.374320
     18.730000               0.421410
As    P
      7.841000               1.000000
As    P
      3.391000               1.000000
As    P
      1.405000               1.000000
As    P
      0.344100               1.000000
As    P
      0.106800               1.000000
As    D
     81.590000               0.025580
     23.260000               0.144920
      8.148000               0.360440
      2.954000               0.462550
As    D
      0.982700               1.000000
As    D
      0.273000               1.000000
As    F
      0.3720000              1.0000000
end
basis "Se_binning 962(df)" SPHERICAL 
#basis SET: (14s,11p,6d,1f) -> [9s,6p,3d,1f]
Se    S
 560600.000000               0.000220
  84010.000000               0.001700
  19030.000000               0.008830
   5419.000000               0.035080
   1792.000000               0.112660
    659.500000               0.284710
Se    S
    262.000000               1.000000
Se    S
    108.600000               1.000000
Se    S
     33.660000               1.000000
Se    S
     14.450000               1.000000
Se    S
      4.378000               1.000000
Se    S
      1.876000               1.000000
Se    S
      0.359200               1.000000
Se    S
      0.136700               1.000000
Se    P
   4114.000000               0.001170
    980.400000               0.009850
    310.700000               0.051770
    114.200000               0.178690
     46.260000               0.325040
     19.870000               0.360890
Se    P
      8.309000               1.000000
Se    P
      3.598000               1.000000
Se    P
      1.522000               1.000000
Se    P
      0.403200               1.000000
Se    P
      0.123100               1.000000
Se    D
     94.030000               0.020630
     26.790000               0.122270
      9.336000               0.319720
      3.383000               0.417380
Se    D
      1.145000               0.231840
Se    D
      0.315000               1.000000
Se    F
      0.4000000              1.0000000
end
basis "Br_binning 962(df)" SPHERICAL 
#basis SET: (14s,11p,6d,1f) -> [9s,6p,3d,1f]
Br    S
 574300.000000               0.000220
  89070.000000               0.001687
  20210.000000               0.008746
   5736.000000               0.035597
   1899.000000               0.113520
    698.700000               0.279730
Br    S
    277.800000               1.000000
Br    S
    115.200000               1.000000
Br    S
     35.970000               1.000000
Br    S
     15.500000               1.000000
Br    S
      4.771000               1.000000
Br    S
      2.077000               1.000000
Br    S
      0.421100               1.000000
Br    S
      0.161000               1.000000
Br    P
   4406.000000               0.001377
   1042.000000               0.012207
    332.100000               0.060190
    121.900000               0.223700
     49.240000               0.400470
     21.160000               0.444580
Br    P
      8.836000               1.000000
Br    P
      3.829000               1.000000
Br    P
      1.643000               1.000000
Br    P
      0.465000               1.000000
Br    P
      0.142700               1.000000
Br    D
    108.400000               0.021521
     30.710000               0.133760
     10.660000               0.366730
      3.851000               0.490370
Br    D
      1.317000               1.000000
Br    D
      0.338000               1.000000
Br    F
      0.4010000              1.0000000
end
basis "Kr_binning 962(df)" SPHERICAL 
#basis SET: (14s,11p,6d,1f) -> [9s,6p,3d,1f]
Kr    S
 605700.000000               0.000230
  90300.000000               0.001743
  20920.000000               0.009046
   5889.000000               0.036901
   1950.000000               0.117430
    718.200000               0.286170
Kr    S
    285.400000               1.000000
Kr    S
    118.600000               1.000000
Kr    S
     38.160000               1.000000
Kr    S
     16.450000               1.000000
Kr    S
      5.211000               1.000000
Kr    S
      2.291000               1.000000
Kr    S
      0.483700               1.000000
Kr    S
      0.185500               1.000000
Kr    P
   4678.000000               0.001344
   1120.000000               0.011821
    357.100000               0.058277
    131.400000               0.218540
     52.860000               0.397570
     22.700000               0.441190
Kr    P
      9.547000               1.000000
Kr    P
      4.167000               1.000000
Kr    P
      1.811000               1.000000
Kr    P
      0.533700               1.000000
Kr    P
      0.165400               1.000000
Kr    D
    125.600000               0.015695
     35.310000               0.103010
     12.150000               0.299680
      4.350000               0.411710
Kr    D
      1.494000               1.000000
Kr    D
      0.318000               1.000000
Kr    F
      0.4010000              1.0000000
end
