# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# acv3z-J version number 1
# Description: acv3z-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
#      acv3z-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_acv3z-J" SPHERICAL 
#basis SET: (42s,26p,11d,5f,1g) -> [14s,10p,6d,5f,1g]
Se    S
      9.565513E+09           8.9733E-10
      1.755140E+09           7.5103E-09
      3.204406E+08           5.4406E-08
      5.912574E+07           5.1580E-07
      1.085520E+07           3.6605E-06
      2.610777E+06           0.00001893
      7.300969E+05           0.00008415
      2.295128E+05           0.00032655
      7.912411E+04           0.00114084
      2.943281E+04           0.00363806
      1.166543E+04           0.01070131
      4.878309E+03           0.02901547
      2.135583E+03           0.07157860
      9.721849E+02           0.15479501
      4.575320E+02           0.27248483
Se    S
      9.565513E+09          -3.1077E-11
      1.755140E+09          -2.6049E-10
      3.204406E+08          -1.8842E-09
      5.912574E+07          -1.7888E-08
      1.085520E+07          -1.2679E-07
      2.610777E+06          -6.5648E-07
      7.300969E+05          -2.9146E-06
      2.295128E+05          -0.00001134
      7.912411E+04          -0.00003957
      2.943281E+04          -0.00012691
      1.166543E+04          -0.00037508
      4.878309E+03          -0.00103878
      2.135583E+03          -0.00265283
      9.721849E+02          -0.00624838
      4.575320E+02          -0.01284548
Se    S
      2.213136E+02           1.00000000
Se    S
      1.087410E+02           1.00000000
Se    S
      5.153735E+01           1.00000000
Se    S
      2.629254E+01           1.00000000
Se    S
      1.337344E+01           1.00000000
Se    S
      6.443163E+00           1.00000000
Se    S
      3.176171E+00           1.00000000
Se    S
      1.525591E+00           1.00000000
Se    S
      5.063730E-01           1.00000000
Se    S
      2.353906E-01           1.00000000
Se    S
      1.002753E-01           1.00000000
Se    S
      3.772396E-02           1.00000000
Se    P
      1.442326E+05           0.00000376
      2.224285E+04           0.00007019
      5.431698E+03           0.00064701
      1.721673E+03           0.00391548
      6.417013E+02           0.01765018
      2.660537E+02           0.06203538
      1.188759E+02           0.16650966
      5.584718E+01           0.31804887
      2.717050E+01           0.37531361
Se    P
      1.442326E+05           0.00000030
      2.224285E+04           0.00000546
      5.431698E+03           0.00005145
      1.721673E+03           0.00030740
      6.417013E+02           0.00142438
      2.660537E+02           0.00504649
      1.188759E+02           0.01442752
      5.584718E+01           0.02863429
      2.717050E+01           0.03724392
Se    P
      1.344662E+01           1.00000000
Se    P
      6.459230E+00           1.00000000
Se    P
      3.058857E+00           1.00000000
Se    P
      1.425004E+00           1.00000000
Se    P
      5.322471E-01           1.00000000
Se    P
      2.100166E-01           1.00000000
Se    P
      7.859658E-02           1.00000000
Se    P
      2.784802E-02           1.00000000
Se    D
      5.994662E+02           0.00054369
      1.756720E+02           0.00522444
      6.701792E+01           0.02725768
      2.873771E+01           0.09219867
      1.318629E+01           0.21411816
      6.211011E+00           0.33050604
Se    D
      2.907457E+00           1.00000000
Se    D
      1.332699E+00           1.00000000
Se    D
      5.745769E-01           1.00000000
Se    D
      2.125531E-01           1.00000000
Se    D
      7.991814E-02           1.00000000
Se    F
      1.122760E+01           1.00000000
Se    F
      3.338972E+00           1.00000000
Se    F
      1.507529E+00           1.00000000
Se    F
      4.627496E-01           1.00000000
Se    F
      1.880649E-01           1.00000000
Se    G
      7.102871E+00           1.00000000
end
basis "Te_acv3z-J" SPHERICAL 
#basis SET: (48s,34p,25d,7f,1g) -> [18s,12p,9d,7f,1g]
Te    S
      4.275556E+09           6.7083E-09
      1.109768E+09           2.8981E-08
      2.880525E+08           1.4662E-07
      7.476722E+07           8.8578E-07
      1.940665E+07           4.0671E-06
      6.355444E+06           1.4285E-05
      2.278178E+06           4.8144E-05
      8.765318E+05           0.00014901
      3.540562E+05           0.00044048
      1.493375E+05           0.00123286
      6.537734E+04           0.00329879
      2.961545E+04           0.00840856
      1.383854E+04           0.02039019
      6.652244E+03           0.04651176
      3.281069E+03           0.09771526
      1.656494E+03           0.18109901
Te    S
      4.275556E+09           1.3429E-10
      1.109768E+09           5.8085E-10
      2.880525E+08           2.9347E-09
      7.476722E+07           1.7750E-08
      1.940665E+07           8.1407E-08
      6.355444E+06           2.8635E-07
      2.278178E+06           9.6348E-07
      8.765318E+05           2.9887E-06
      3.540562E+05           8.8212E-06
      1.493375E+05           2.4784E-05
      6.537734E+04           6.6355E-05
      2.961545E+04           0.00017078
      1.383854E+04           0.00041876
      6.652244E+03           0.00098633
      3.281069E+03           0.00218259
      1.656494E+03           0.00451669
Te    S
      8.541644E+02           1.00000000
Te    S
      4.486385E+02           1.00000000
Te    S
      2.385957E+02           1.00000000
Te    S
      1.252846E+02           1.00000000
Te    S
      6.833044E+01           1.00000000
Te    S
      3.743259E+01           1.00000000
Te    S
      2.026601E+01           1.00000000
Te    S
      1.136787E+01           1.00000000
Te    S
      6.373216E+00           1.00000000
Te    S
      3.463617E+00           1.00000000
Te    S
      1.827009E+00           1.00000000
Te    S
      9.496675E-01           1.00000000
Te    S
      3.734210E-01           1.00000000
Te    S
      1.744322E-01           1.00000000
Te    S
      7.698522E-02           1.00000000
Te    S
      3.010761E-02           1.00000000
Te    P
      6.850831E+06           2.0094E-08
      1.054250E+06           4.1146E-07
      2.259689E+05           5.2190E-06
      5.910423E+04           4.7881E-05
      1.806446E+04           0.00033541
      6.305054E+03           0.00184605
      2.458940E+03           0.00821259
      1.046758E+03           0.03002552
      4.768883E+02           0.08958567
      2.288175E+02           0.20765590
      1.139993E+02           0.34165259
      5.840421E+01           0.33376169
Te    P
      6.850831E+06          -9.5262E-10
      1.054250E+06          -1.8322E-08
      2.259689E+05          -2.4245E-07
      5.910423E+04          -2.1640E-06
      1.806446E+04          -1.5487E-05
      6.305054E+03          -8.4230E-05
      2.458940E+03          -0.00038313
      1.046758E+03          -0.00140994
      4.768883E+02          -0.00442573
      2.288175E+02          -0.01075697
      1.139993E+02          -0.01964765
      5.840421E+01          -0.01728331
Te    P
      3.021147E+01           1.00000000
Te    P
      1.555808E+01           1.00000000
Te    P
      8.147828E+00           1.00000000
Te    P
      4.127366E+00           1.00000000
Te    P
      2.056140E+00           1.00000000
Te    P
      9.925754E-01           1.00000000
Te    P
      3.863041E-01           1.00000000
Te    P
      1.598508E-01           1.00000000
Te    P
      6.260356E-02           1.00000000
Te    P
      2.319407E-02           1.00000000
Te    D
      7.728416E+03          -9.1044E-06
      2.055957E+03          -0.00012165
      7.484642E+02          -0.00087969
      3.191763E+02          -0.00446009
      1.498070E+02          -0.01659813
      7.465489E+01          -0.04697393
      3.878957E+01          -0.09662696
      2.056931E+01          -0.13519903
      1.107902E+01          -0.09999729
Te    D
      7.728416E+03           2.2809E-05
      2.055957E+03           0.00030358
      7.484642E+02           0.00219319
      3.191763E+02           0.01104214
      1.498070E+02           0.04080481
      7.465489E+01           0.11348610
      3.878957E+01           0.23214453
      2.056931E+01           0.33591857
      1.107902E+01           0.31396346
Te    D
      5.972277E+00           1.00000000
Te    D
      3.160278E+00           1.00000000
Te    D
      1.629496E+00           1.00000000
Te    D
      8.178530E-01           1.00000000
Te    D
      3.884930E-01           1.00000000
Te    D
      1.585446E-01           1.00000000
Te    D
      6.274744E-02           1.00000000
Te    F
      3.328933E+01           1.00000000
Te    F
      1.177421E+01           1.00000000
Te    F
      4.164464E+00           1.00000000
Te    F
      1.472943E+00           1.00000000
Te    F
      1.049499E+00           1.00000000
Te    F
      3.437854E-01           1.00000000
Te    F
      1.444099E-01           1.00000000
Te    G
      2.818689E+00           1.00000000
end
