# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# acv4z-J version number 1
# Description: acv4z-J basis for indirect nuclear spin-spin coupling
# 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
# 
#  Se,Te
#      acv4z-J basis for indirect nuclear spin-spin coupling
#          rusakov2019a
# 
# 
# 
# rusakov2019a
#     Rusakov, Yury Yu., Rusakova, Irina L.
#     Hierarchical Basis Sets for the Calculation of Nuclear Magnetic
#             Resonance Spin-Spin Coupling Constants Involving Either
#             Selenium or Tellurium Nuclei
#     J. Phys. Chem. A 123, 6564-6571 (2019)
#     10.1021/acs.jpca.9b05276
# 
# # 
basis "Se_acv4z-J" SPHERICAL 
#basis SET: (54s,34p,14d,6f,4g) -> [18s,12p,7d,6f,4g]
Se    S
      2.028486E+10           3.6294E-10
      5.363528E+09           1.1605E-09
      1.418172E+09           7.7725E-09
      3.750000E+08           3.5300E-08
      9.915931E+07           2.1184E-07
      2.621697E+07           9.4260E-07
      8.891767E+06           3.0877E-06
      3.373405E+06           9.4378E-06
      1.409993E+06           2.5471E-05
      6.266657E+05           6.6359E-05
      2.888251E+05           0.00016920
      1.350346E+05           0.00043219
      6.371953E+04           0.00108696
      3.046765E+04           0.00265958
      1.485468E+04           0.00627159
      7.402082E+03           0.01423239
      3.766600E+03           0.03091839
      1.953949E+03           0.06344322
      1.031467E+03           0.11994730
Se    S
      2.028486E+10          -1.2594E-11
      5.363528E+09          -4.0293E-11
      1.418172E+09          -2.6969E-10
      3.750000E+08          -1.2255E-09
      9.915931E+07          -7.3510E-09
      2.621697E+07          -3.2724E-08
      8.891767E+06          -1.0713E-07
      3.373405E+06          -3.2774E-07
      1.409993E+06          -8.8358E-07
      6.266657E+05          -2.3054E-06
      2.888251E+05          -5.8713E-06
      1.350346E+05          -1.5028E-05
      6.371953E+04          -3.7787E-05
      3.046765E+04          -9.2831E-05
      1.485468E+04          -0.00021971
      7.402082E+03          -0.00050445
      3.766600E+03          -0.00111535
      1.953949E+03          -0.00237712
      1.031467E+03          -0.00478953
Se    S
      5.530491E+02           1.00000000
Se    S
      3.007724E+02           1.00000000
Se    S
      1.656095E+02           1.00000000
Se    S
      9.181016E+01           1.00000000
Se    S
      5.028493E+01           1.00000000
Se    S
      2.825046E+01           1.00000000
Se    S
      1.598458E+01           1.00000000
Se    S
      8.981320E+00           1.00000000
Se    S
      4.821684E+00           1.00000000
Se    S
      2.609703E+00           1.00000000
Se    S
      1.394540E+00           1.00000000
Se    S
      6.501762E-01           1.00000000
Se    S
      3.358493E-01           1.00000000
Se    S
      1.638140E-01           1.00000000
Se    S
      7.710811E-02           1.00000000
Se    S
      3.092951E-02           1.00000000
Se    P
      2.753094E+06           2.1578E-08
      4.059369E+05           4.6320E-07
      8.733160E+04           5.7052E-06
      2.365746E+04           4.7989E-05
      7.661844E+03           0.00029776
      2.852739E+03           0.00145578
      1.179943E+03           0.00588250
      5.278576E+02           0.02008474
      2.505910E+02           0.05805244
      1.245870E+02           0.13804098
      6.404826E+01           0.25522894
      3.373258E+01           0.33669318
Se    P
      2.753094E+06           1.6671E-09
      4.059369E+05           3.6817E-08
      8.733160E+04           4.4473E-07
      2.365746E+04           3.7949E-06
      7.661844E+03           2.3316E-05
      2.852739E+03           0.00011535
      1.179943E+03           0.00046484
      5.278576E+02           0.00161900
      2.505910E+02           0.00475104
      1.245870E+02           0.01185304
      6.404826E+01           0.02283388
      3.373258E+01           0.03267576
Se    P
      1.806089E+01           1.00000000
Se    P
      9.647812E+00           1.00000000
Se    P
      5.070984E+00           1.00000000
Se    P
      2.637334E+00           1.00000000
Se    P
      1.350885E+00           1.00000000
Se    P
      6.251670E-01           1.00000000
Se    P
      2.903919E-01           1.00000000
Se    P
      1.307832E-01           1.00000000
Se    P
      5.691844E-02           1.00000000
Se    P
      2.293593E-02           1.00000000
Se    D
      1.929096E+03           0.00004309
      5.509572E+02           0.00048161
      2.085814E+02           0.00307664
      9.116041E+01           0.01377519
      4.325546E+01           0.04483439
      2.157615E+01           0.11257075
      1.113675E+01           0.21125290
      5.804955E+00           0.29261504
Se    D
      3.007913E+00           1.00000000
Se    D
      1.535584E+00           1.00000000
Se    D
      7.469809E-01           1.00000000
Se    D
      3.836032E-01           1.00000000
Se    D
      1.618677E-01           1.00000000
Se    D
      6.084133E-02           1.00000000
Se    F
      1.820690E+01           1.00000000
Se    F
      6.406635E+00           1.00000000
Se    F
      2.312188E+00           1.00000000
Se    F
      7.041774E-01           1.00000000
Se    F
      2.789074E-01           1.00000000
Se    F
      1.219810E-01           1.00000000
Se    G
      1.266619E+01           1.00000000
Se    G
      4.283963E+00           1.00000000
Se    G
      5.728790E-01           1.00000000
Se    G
      2.641887E-01           1.00000000
end
basis "Te_acv4z-J" SPHERICAL 
#basis SET: (51s,44p,30d,8f,4g) -> [21s,14p,10d,8f,4g]
Te    S
      2.874614E+08           1.9808E-07
      7.649219E+07           7.8945E-07
      2.035422E+07           3.7977E-06
      6.980112E+06           0.00001193
      2.666922E+06           0.00003679
      1.110573E+06           0.00010082
      4.871899E+05           0.00026823
      2.233010E+05           0.00067360
      1.059351E+05           0.00163669
      5.172470E+04           0.00384405
      2.578898E+04           0.00882790
      1.307399E+04           0.01962869
      6.742309E+03           0.04157319
      3.545753E+03           0.08200380
      1.902202E+03           0.14655489
      1.038689E+03           0.22598064
Te    S
      2.874614E+08           3.9733E-09
      7.649219E+07           1.5828E-08
      2.035422E+07           7.6193E-08
      6.980112E+06           2.3909E-07
      2.666922E+06           7.3841E-07
      1.110573E+06           2.0209E-06
      4.871899E+05           5.3887E-06
      2.233010E+05           0.00001351
      1.059351E+05           0.00003297
      5.172470E+04           0.00007754
      2.578898E+04           0.00017985
      1.307399E+04           0.00040435
      6.742309E+03           0.00088200
      3.545753E+03           0.00181963
      1.902202E+03           0.00356065
      1.038689E+03           0.00635350
Te    S
      5.761334E+02           1.00000000
Te    S
      3.245202E+02           1.00000000
Te    S
      1.860566E+02           1.00000000
Te    S
      1.162559E+02           1.00000000
Te    S
      7.756775E+01           1.00000000
Te    S
      5.022733E+01           1.00000000
Te    S
      3.067912E+01           1.00000000
Te    S
      1.821951E+01           1.00000000
Te    S
      1.100373E+01           1.00000000
Te    S
      6.726313E+00           1.00000000
Te    S
      4.361885E+00           1.00000000
Te    S
      2.988865E+00           1.00000000
Te    S
      1.813379E+00           1.00000000
Te    S
      1.017464E+00           1.00000000
Te    S
      5.000029E-01           1.00000000
Te    S
      2.674455E-01           1.00000000
Te    S
      1.331798E-01           1.00000000
Te    S
      6.374037E-02           1.00000000
Te    S
      2.753954E-02           1.00000000
Te    P
      4.364749E+07           6.0545E-10
      1.006822E+07           6.4955E-09
      2.736660E+06           5.7630E-08
      8.332019E+05           4.2492E-07
      2.767524E+05           2.7225E-06
      9.893872E+04           0.00001537
      3.778718E+04           0.00007732
      1.537975E+04           0.00034487
      6.661099E+03           0.00136518
      3.054497E+03           0.00481159
      1.472282E+03           0.01509539
      7.402992E+02           0.04184798
      3.854821E+02           0.10035486
      2.062642E+02           0.19832535
      1.127141E+02           0.30005122
      6.266371E+01           0.30378882
Te    P
      4.364749E+07          -2.9123E-11
      1.006822E+07          -2.8488E-10
      2.736660E+06          -2.6980E-09
      8.332019E+05          -1.9073E-08
      2.767524E+05          -1.2571E-07
      9.893872E+04          -6.9674E-07
      3.778718E+04          -3.5541E-06
      1.537975E+04          -1.5708E-05
      6.661099E+03          -6.2904E-05
      3.054497E+03          -0.00022148
      1.472282E+03          -0.00070813
      7.402992E+02          -0.00199622
      3.854821E+02          -0.00501407
      2.062642E+02          -0.01041771
      1.127141E+02          -0.01715992
      6.266371E+01          -0.01672631
Te    P
      3.505786E+01           1.00000000
Te    P
      1.947136E+01           1.00000000
Te    P
      1.097347E+01           1.00000000
Te    P
      6.183877E+00           1.00000000
Te    P
      3.413975E+00           1.00000000
Te    P
      1.837710E+00           1.00000000
Te    P
      9.675336E-01           1.00000000
Te    P
      4.632360E-01           1.00000000
Te    P
      2.227260E-01           1.00000000
Te    P
      1.034081E-01           1.00000000
Te    P
      4.643682E-02           1.00000000
Te    P
      1.920040E-02           1.00000000
Te    D
      2.266437E+04          -8.4914E-07
      5.718961E+03          -1.3124E-05
      2.007614E+03          -0.00010763
      8.347121E+02          -0.00062248
      3.860755E+02          -0.00278224
      1.921863E+02          -0.00988974
      1.005169E+02          -0.02796321
      5.454355E+01          -0.06313773
      3.031526E+01          -0.10517539
      1.705577E+01          -0.12537720
      9.703345E+00          -0.06613042
Te    D
      2.266437E+04           2.1310E-06
      5.718961E+03           3.2760E-05
      2.007614E+03           0.00026921
      8.347121E+02           0.00154989
      3.860755E+02           0.00690899
      1.921863E+02           0.02436041
      1.005169E+02           0.06820887
      5.454355E+01           0.15136672
      3.031526E+01           0.25501301
      1.705577E+01           0.31842371
      9.703345E+00           0.26169657
Te    D
      5.500093E+00           1.00000000
Te    D
      3.056250E+00           1.00000000
Te    D
      1.673939E+00           1.00000000
Te    D
      9.178178E-01           1.00000000
Te    D
      5.319381E-01           1.00000000
Te    D
      3.148704E-01           1.00000000
Te    D
      1.315701E-01           1.00000000
Te    D
      5.042114E-02           1.00000000
Te    F
      4.278321E+01           1.00000000
Te    F
      1.723546E+01           1.00000000
Te    F
      6.943407E+00           1.00000000
Te    F
      2.797192E+00           1.00000000
Te    F
      1.144950E+00           1.00000000
Te    F
      5.155264E-01           1.00000000
Te    F
      2.097793E-01           1.00000000
Te    F
      9.709105E-02           1.00000000
Te    G
      4.067937E+00           1.00000000
Te    G
      1.749903E+00           1.00000000
Te    G
      4.232306E-01           1.00000000
Te    G
      2.050339E-01           1.00000000
end
