# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# 6-31G*-Blaudeau 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
# 
#  K,Ca
#      VDZ     Valence Double Zeta: 2 Funct.'s/Valence AO
#          blaudeau1997a
# 
#      1P      Polarization functions
#          blaudeau1997a
# 
# 
# 
# blaudeau1997a
#     Blaudeau, Jean-Philippe, McGrath, Mark P., Curtiss, Larry A., Radom,
#             Leo
#     Extension of Gaussian-2 (G2) theory to molecules containing third-row
#             atoms K and Ca
#     J. Chem. Phys. 107, 5016-5021 (1997)
#     10.1063/1.474865
# 
# # 
basis "K_6-31G*-Blaudeau" SPHERICAL 
#basis SET: (14s,9p,4d) -> [5s,3p,2d]
K    S
  31478.7                    0.00398387
   4726.89                   0.03050180
   1075.43                   0.15073800
    303.398                  0.51912900
     98.3271                 1.03670000
     33.6362                 0.76399000
K    S
     65.6392                -0.282426
      7.31626                1.691490
      2.89026                1.296530
K    S
      4.54597               -0.00763436
      0.704041               0.0256357
      0.282669               0.0166069
K    S
      0.0290582              1.000000
K    S
      0.0121116              1.000000
K    P
    361.225                  0.0209065
     84.6702                 0.1504360
     26.4691                 0.5544010
      9.26581                1.0409000
      3.34234                0.6782530
K    P
      1.635460               0.240902
      0.831968               0.299424
      0.436842               0.446079
K    P
      0.179837               1.000000
K    D
     10.070                  0.0480790
      2.5580                 0.216293
      0.7968                 0.423691
K    D
      0.235000               1.000000
end
basis "Ca_6-31G*-Blaudeau" SPHERICAL 
#basis SET: (14s,9p,4d) -> [5s,3p,2d]
Ca    S
  35138.7                    0.00394825
   5276.41                   0.0302342
   1200.47                   0.1495200
    338.718                  0.5159730
    109.854                  1.0339500
     37.6089                 0.7693790
Ca    S
     73.1080                -0.282685
      8.24077                1.679610
      3.29598                1.280380
Ca    S
      5.234180              -0.00768686
      0.841872               0.02538240
      0.365103               0.01651220
Ca    S
      0.0512224              1.000000
Ca    S
      0.019825               1.000000
Ca    P
    413.113                  0.020327
     96.9358                 0.147303
     30.3722                 0.548872
     10.6848                 1.044070
      3.88213                0.686535
Ca    P
      1.909910               0.268668
      0.979325               0.290187
      0.549769               0.442981
Ca    P
      0.231233               1.000000
Ca    D
     10.970                  0.060008
      2.7680                 0.261010
      0.8281                 0.508692
Ca    D
      0.216000               1.000000
end
