# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-ccX-DZ version number 1
# Description: Augmented basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods
# 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
# 
#  B-F
#      Augmented basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods
#          ambroise2021a
# 
# 
# 
# ambroise2021a
#     Ambroise, Maximilien A., Dreuw, Andreas, Jensen, Frank
#     Probing Basis Set Requirements for Calculating Core Ionization and
#             Core Excitation Spectra Using Correlated Wave Function Methods
#     J. Chem. Theory Comput. null, null (2021)
#     10.1021/acs.jctc.1c00042
# 
# # 
basis "B_aug-ccX-DZ" SPHERICAL 
#basis SET: (19s,8p,2d) -> [7s,7p,2d]
B    S
      0.23830E+05            0.14795E-03
      0.35705E+04            0.11485E-02
      0.81260E+03            0.60080E-02
      0.23012E+03            0.24860E-01
      0.75025E+02            0.85301E-01
      0.27001E+02            0.23730E+00
      0.10405E+02            0.50000E+00
B    S
      0.23830E+05            0.12532E-03
      0.35705E+04            0.97898E-03
      0.81260E+03            0.50884E-02
      0.23012E+03            0.21437E-01
      0.75025E+02            0.73855E-01
      0.27001E+02            0.21942E+00
      0.10405E+02            0.50000E+00
B    S
      0.42062E+01            0.10000E+01
B    S
      0.17351E+01            0.10000E+01
B    S
      0.47137E+00            0.10000E+01
B    S
      0.19017E+00            0.10000E+01
B    S
      0.74120E-01            0.10000E+01
B    P
      0.69065E+02            0.64639E-01
      0.16315E+02            0.50000E+00
B    P
      0.51152E+01            0.10000E+01
B    P
      0.18221E+01            0.10000E+01
B    P
      0.71361E+00            0.10000E+01
B    P
      0.29211E+00            0.10000E+01
B    P
      0.12113E+00            0.10000E+01
B    P
      0.49636E-01            0.10000E+01
B    D
     13.0150000              1.000000
B    D
      0.3430000              1.000000
end
basis "C_aug-ccX-DZ" SPHERICAL 
#basis SET: (19s,8p,2d) -> [7s,7p,2d]
C    S
      0.35087E+05            0.14558E-03
      0.52572E+04            0.11301E-02
      0.11965E+04            0.59133E-02
      0.33882E+03            0.24486E-01
      0.11048E+03            0.84220E-01
      0.39783E+02            0.23559E+00
      0.15366E+02            0.50000E+00
C    S
      0.35087E+05            0.12250E-03
      0.52572E+04            0.95704E-03
      0.11965E+04            0.49757E-02
      0.33882E+03            0.20982E-01
      0.11048E+03            0.72488E-01
      0.39783E+02            0.21689E+00
      0.15366E+02            0.50000E+00
C    S
      0.62404E+01            0.10000E+01
C    S
      0.25893E+01            0.10000E+01
C    S
      0.74115E+00            0.10000E+01
C    S
      0.29338E+00            0.10000E+01
C    S
      0.11187E+00            0.10000E+01
C    P
      0.10623E+03            0.63490E-01
      0.25120E+02            0.50000E+00
C    P
      0.79281E+01            0.10000E+01
C    P
      0.28601E+01            0.10000E+01
C    P
      0.11287E+01            0.10000E+01
C    P
      0.46231E+00            0.10000E+01
C    P
      0.18991E+00            0.10000E+01
C    P
      0.76149E-01            0.10000E+01
C    D
     14.8390000              1.000000
C    D
      0.5500000              1.000000
end
basis "N_aug-ccX-DZ" SPHERICAL 
#basis SET: (19s,8p,2d) -> [7s,7p,2d]
N    S
      0.48331E+05            0.14428E-03
      0.72416E+04            0.11200E-02
      0.16481E+04            0.58613E-02
      0.46673E+03            0.24281E-01
      0.15219E+03            0.83639E-01
      0.54824E+02            0.23474E+00
      0.21208E+02            0.50000E+00
N    S
      0.48331E+05            0.12128E-03
      0.72416E+04            0.94703E-03
      0.16481E+04            0.49279E-02
      0.46673E+03            0.20766E-01
      0.15219E+03            0.71928E-01
      0.54824E+02            0.21552E+00
      0.21208E+02            0.50000E+00
N    S
      0.86401E+01            0.10000E+01
N    S
      0.35989E+01            0.10000E+01
N    S
      0.10624E+01            0.10000E+01
N    S
      0.41534E+00            0.10000E+01
N    S
      0.15610E+00            0.10000E+01
N    P
      0.15007E+03            0.62787E-01
      0.35504E+02            0.50000E+00
N    P
      0.11252E+02            0.10000E+01
N    P
      0.40908E+01            0.10000E+01
N    P
      0.16215E+01            0.10000E+01
N    P
      0.66375E+00            0.10000E+01
N    P
      0.27070E+00            0.10000E+01
N    P
      0.10682E+00            0.10000E+01
N    D
     14.2000000              1.000000
N    D
      0.8170000              1.000000
end
basis "O_aug-ccX-DZ" SPHERICAL 
#basis SET: (19s,8p,2d) -> [7s,7p,2d]
O    S
      0.63639E+05            0.14342E-03
      0.95353E+04            0.11133E-02
      0.21701E+04            0.58272E-02
      0.61456E+03            0.24146E-01
      0.20040E+03            0.83263E-01
      0.72211E+02            0.23420E+00
      0.27966E+02            0.50000E+00
O    S
      0.63639E+05            0.12087E-03
      0.95353E+04            0.94408E-03
      0.21701E+04            0.49110E-02
      0.61456E+03            0.20709E-01
      0.20040E+03            0.71727E-01
      0.72211E+02            0.21546E+00
      0.27966E+02            0.50000E+00
O    S
      0.11420E+02            0.10000E+01
O    S
      0.47722E+01            0.10000E+01
O    S
      0.14399E+01            0.10000E+01
O    S
      0.55979E+00            0.10000E+01
O    S
      0.20799E+00            0.10000E+01
O    P
      0.18523E+03            0.62760E-01
      0.43814E+02            0.50000E+00
O    P
      0.13891E+02            0.10000E+01
O    P
      0.50699E+01            0.10000E+01
O    P
      0.20071E+01            0.10000E+01
O    P
      0.81062E+00            0.10000E+01
O    P
      0.32204E+00            0.10000E+01
O    P
      0.12275E+00            0.10000E+01
O    D
     15.8580000              1.000000
O    D
      1.1850000              1.000000
end
basis "F_aug-ccX-DZ" SPHERICAL 
#basis SET: (19s,8p,2d) -> [7s,7p,2d]
F    S
      0.80940E+05            0.14290E-03
      0.12127E+05            0.11093E-02
      0.27601E+04            0.58065E-02
      0.78163E+03            0.24065E-01
      0.25488E+03            0.83043E-01
      0.91863E+02            0.23393E+00
      0.35607E+02            0.50000E+00
F    S
      0.80940E+05            0.12087E-03
      0.12127E+05            0.94396E-03
      0.27601E+04            0.49107E-02
      0.78163E+03            0.20706E-01
      0.25488E+03            0.71740E-01
      0.91863E+02            0.21557E+00
      0.35607E+02            0.50000E+00
F    S
      0.14566E+02            0.10000E+01
F    S
      0.61007E+01            0.10000E+01
F    S
      0.18692E+01            0.10000E+01
F    S
      0.72314E+00            0.10000E+01
F    S
      0.26646E+00            0.10000E+01
F    P
      0.23872E+03            0.62341E-01
      0.56485E+02            0.50000E+00
F    P
      0.17954E+02            0.10000E+01
F    P
      0.65817E+01            0.10000E+01
F    P
      0.26104E+01            0.10000E+01
F    P
      0.10513E+01            0.10000E+01
F    P
      0.41382E+00            0.10000E+01
F    P
      0.15524E+00            0.10000E+01
F    D
     19.1080000              1.000000
F    D
      1.6400000              1.000000
end
