# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# ORP version number 1
# Description: ORP (Optical Rotation Prediction) Basis Set
# 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-F
#      ORP (Optical Rotation Prediction) Basis Set
#          baranowska2013a
# 
# 
# 
# baranowska2013a
#     Baranowska-Łączkowska, Angelika, Łączkowski, Krzysztof Z.
#     The ORP basis set designed for optical rotation calculations
#     J. Comput. Chem. 34, 2006-2013 (2013)
#     10.1002/jcc.23347
# 
# # 
basis "H_ORP" SPHERICAL 
#basis SET: (6s,3p) -> [4s,3p]
H    S
     34.0613410E+00          0.00601459E+00
      5.12357460E+00         0.04512065E+00
      1.16466260E+00         0.20107577E+00
H    S
      0.32723041E+00         1.00000000E+00
H    S
      0.10307241E+00         1.00000000E+00
H    S
      0.03246618E+00         1.00000000E+00
H    P
      1.21000000E+00         1.00000000E+00
H    P
      0.20000000E+00         1.00000000E+00
H    P
      0.07000000E+00         1.00000000E+00
end
basis "C_ORP" SPHERICAL 
#basis SET: (19s,7p,3d) -> [5s,4p,3d]
C    S
   8506.03840E+00            0.00051039E+00
   1275.73290E+00            0.00394372E+00
    290.311870E+00           0.02023658E+00
     82.0562000E+00          0.07865967E+00
     26.4796410E+00          0.22851902E+00
      9.24145850E+00         0.43506553E+00
      3.36435300E+00         0.35573323E+00
      0.87174164E+00         0.04196349E+00
C    S
   8506.03840E+00            0.00010867E+00
   1275.73290E+00            0.00084386E+00
    290.311870E+00           0.00434683E+00
     82.0562000E+00          0.01744452E+00
     26.4796410E+00          0.05388508E+00
      9.24145850E+00         0.12665993E+00
      3.36435300E+00         0.17108907E+00
      0.87174164E+00        -0.14334921E+00
C    S
      0.36352352E+00         1.00000000E+00
C    S
      0.12873135E+00         1.00000000E+00
C    S
      0.04558649E+00         1.00000000E+00
C    P
     34.7094960E+00          0.00533303E+00
      7.95908830E+00         0.03583140E+00
      2.37869720E+00         0.14216808E+00
      0.81540065E+00         0.34127498E+00
C    P
      0.28953785E+00         1.00000000E+00
C    P
      0.10084754E+00         1.00000000E+00
C    P
      0.03512572E+00         1.00000000E+00
C    D
      1.10000000E+00         1.00000000E+00
C    D
      0.20000000E+00         1.00000000E+00
C    D
      0.07000000E+00         1.00000000E+00
end
basis "N_ORP" SPHERICAL 
#basis SET: (19s,7p,3d) -> [5s,4p,3d]
N    S
  11913.416756E+00           0.00049611E+00
   1786.7213834E+00          0.00383408E+00
    406.59012834E+00         0.01969690E+00
    114.92525065E+00         0.07684579E+00
     37.105883420E+00        0.22527696E+00
     12.971676200E+00        0.43367158E+00
      4.7302291200E+00       0.35956888E+00
      1.2525184300E+00       0.04428387E+00
N    S
  11913.416756E+00           0.00010922E+00
   1786.7213834E+00          0.00084896E+00
    406.59012834E+00         0.00437321E+00
    114.92525065E+00         0.01765122E+00
     37.105883420E+00        0.05498320E+00
     12.971676200E+00        0.13136869E+00
      4.7302291200E+00       0.17411045E+00
      1.2525184300E+00      -0.15220335E+00
N    S
      0.5126007100E+00       1.00000000E+00
N    S
      0.1793971400E+00       1.00000000E+00
N    S
      0.0627844100E+00       1.00000000E+00
N    P
     49.218758390E+00        0.00555496E+00
     11.348935300E+00        0.03801172E+00
      3.4285088200E+00       0.14956274E+00
      1.1799512600E+00       0.34815303E+00
N    P
      0.4172612300E+00       1.00000000E+00
N    P
      0.1429513100E+00       1.00000000E+00
N    P
      0.0489743000E+00       1.00000000E+00
N    D
      2.40000000E+00         1.00000000E+00
N    D
      0.30000000E+00         1.00000000E+00
N    D
      0.11000000E+00         1.00000000E+00
end
basis "O_ORP" SPHERICAL 
#basis SET: (19s,7p,3d) -> [5s,4p,3d]
O    S
  15902.647459E+00           0.00048546E+00
   2384.9537829E+00          0.00375233E+00
    542.71957182E+00         0.01929372E+00
    153.40407874E+00         0.07547964E+00
     49.545716140E+00        0.22279785E+00
     17.339649900E+00        0.43258503E+00
      6.3303355300E+00       0.36256442E+00
      1.6995882200E+00       0.04608127E+00
O    S
  15902.647459E+00           0.00011000E+00
   2384.9537829E+00          0.00085570E+00
    542.71957182E+00         0.00440796E+00
    153.40407874E+00         0.01786773E+00
     49.545716140E+00        0.05601762E+00
     17.339649900E+00        0.13552574E+00
      6.3303355300E+00       0.17740418E+00
      1.6995882200E+00      -0.16081994E+00
O    S
      0.6895449100E+00       1.00000000E+00
O    S
      0.2393602800E+00       1.00000000E+00
O    S
      0.0830886300E+00       1.00000000E+00
O    P
     63.270524010E+00        0.00607256E+00
     14.623312300E+00        0.04189531E+00
      4.4489518000E+00       0.16170351E+00
      1.5281513200E+00       0.35592658E+00
O    P
      0.5299731600E+00       1.00000000E+00
O    P
      0.1750944600E+00       1.00000000E+00
O    P
      0.0578483400E+00       1.00000000E+00
O    D
      1.55000000E+00         1.00000000E+00
O    D
      0.45000000E+00         1.00000000E+00
O    D
      0.13000000E+00         1.00000000E+00
end
basis "F_ORP" SPHERICAL 
#basis SET: (19s,7p,3d) -> [5s,4p,3d]
F    S
  20450.4890E+00             0.00047787E+00
   3066.95470E+00            0.00369406E+00
    697.910030E+00           0.01900622E+00
    197.270200E+00           0.07450512E+00
     63.7283430E+00          0.22104204E+00
     22.3218090E+00          0.43180701E+00
      8.15576090E+00         0.36460092E+00
      2.21142950E+00         0.04742117E+00
F    S
  20450.4890E+00             0.00011044E+00
   3066.95470E+00            0.00085966E+00
    697.910030E+00           0.00442845E+00
    197.270200E+00           0.01800679E+00
     63.7283430E+00          0.05672963E+00
     22.3218090E+00          0.13847841E+00
      8.15576090E+00         0.17944922E+00
      2.21142950E+00        -0.16676744E+00
F    S
      0.89038567E+00         1.00000000E+00
F    S
      0.30696604E+00         1.00000000E+00
F    S
      0.10582847E+00         1.00000000E+00
F    P
     80.2180200E+00          0.00637424E+00
     18.5872810E+00          0.04429168E+00
      5.68445810E+00         0.16888756E+00
      1.95127810E+00         0.36060472E+00
F    P
      0.67024114E+00         1.00000000E+00
F    P
      0.21682252E+00         1.00000000E+00
F    P
      0.07014193E+00         1.00000000E+00
F    D
      1.40000000E+00         1.00000000E+00
F    D
      0.40000000E+00         1.00000000E+00
F    D
      0.14000000E+00         1.00000000E+00
end
