# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# Sadlej+ version number 1
# Description: Sadlej+
# 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
# 
#  H,C-O
#      
#          sadlej1988a
# 
#      Sadlej+ diffuse functions
#          casida1998a
# 
# 
# 
# casida1998a
#     Casida, Mark E., Jamorski, Christine, Casida, Kim C., Salahub, Dennis
#             R.
#     Molecular excitation energies to high-lying bound states from time-
#             dependent density-functional response theory: Characterization
#             and correction of the time-dependent local density
#             approximation ionization threshold
#     J. Chem. Phys. 108, 4439-4449 (1998)
#     10.1063/1.475855
# 
# sadlej1988a
#     Sadlej, Andrzej J.
#     Medium-size polarized basis sets for high-level correlated
#             calculations of molecular electric properties
#     Collect. Czech. Chem. Commun. 53, 1995-2016 (1988)
#     10.1135/cccc19881995
# 
# # 
basis "H_Sadlej+" SPHERICAL 
#basis SET: (8s,5p) -> [5s,3p]
H    S
     33.685014                .006068
      5.094788                .045316
      1.158786                .202846
      0.325840                .503709
H    S
      0.102741               1.00000
H    S
      0.032400               1.00000
H    S
      0.0102000              1.0000000
H    S
      0.0032200              1.0000000
H    P
      1.1588                  .188440
      0.3258                  .882420
H    P
      0.1027                  .117800
      0.0324                  .004200
H    P
      0.0102000              1.0000000
end
basis "C_Sadlej+" SPHERICAL 
#basis SET: (12s,7p,5d) -> [7s,4p,3d]
C    S
   5240.6353                  .000937
    782.20480                 .007228
    178.35083                 .036344
     50.815942                .130600
     16.823562                .318931
C    S
      6.175776                .438742
      2.418049                .214974
C    S
      0.511900               1.
C    S
      0.156590               1.
C    S
      0.047900               1.
C    S
      0.0147000              1.0000000
C    S
      0.0044800              1.0000000
C    P
     18.841800                .013887
      4.159240                .086279
      1.206710                .288744
      0.385540                .499411
C    P
      0.121940               1.
C    P
      0.038568               1.
C    P
      0.0120000              1.0000000
C    D
      1.206710                .262852
      0.385540                .804300
C    D
      0.121940                .653500
      0.038658                .863600
C    D
      0.0120000              1.0000000
end
basis "N_Sadlej+" SPHERICAL 
#basis SET: (12s,7p,5d) -> [7s,4p,3d]
N    S
   8104.0716                  .000802
   1216.0215                  .006174
    277.23428                 .031233
     76.904023                .115198
     25.874419                .296951
N    S
      9.346767                .447349
      3.579794                .245003
N    S
      0.739610               1.
N    S
      0.222617               1.
N    S
      0.067006               1.
N    S
      0.0202000              1.0000000
N    S
      0.0060800              1.0000000
N    P
     26.868987                .014478
      5.991227                .091156
      1.750842                .297420
      0.560511                .493796
N    P
      0.175948               1.
N    P
      0.055231               1.
N    P
      0.0173000              1.0000000
N    D
      1.750842                .224774
      0.560511                .659562
N    D
      0.175948                .871355
      0.055231                .704217
N    D
      0.0173000              1.0000000
end
basis "O_Sadlej+" SPHERICAL 
#basis SET: (12s,7p,5d) -> [7s,4p,3d]
O    S
  10662.285                   .000799
   1599.7097                  .006153
    364.72526                 .031157
    103.65179                 .115596
     33.905805                .301552
O    S
     12.287469                .444870
      4.756805                .243172
O    S
      1.004271               1.
O    S
      0.300686               1.
O    S
      0.09003                1.
O    S
      0.0270000              1.0000000
O    S
      0.0080700              1.0000000
O    P
     34.856463                .015648
      7.843131                .098197
      2.306249                .307768
      0.723164                .492470
O    P
      0.214882               1.
O    P
      0.06385                1.
O    P
      0.0190000              1.0000000
O    D
      2.3062                  .20270
      0.7232                  .5791
O    D
      0.2149                  .78545
      0.0639                  .53387
O    D
      0.0190000              1.0000000
end
