# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# 2ZaP version number 1
# Description: 2ZaP basis set of Zhong, Barnes, and Petersson
# 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
#      2ZaP basis set of Zhong, Barnes, and Petersson
#          zhong2008a
# 
# 
# 
# zhong2008a
#     Zhong, Shijun, Barnes, Ericka C., Petersson, George A.
#     Uniformly convergent n-tuple-ζ augmented polarized (nZaP) basis sets
#             for complete basis set extrapolations. I. Self-consistent
#             field energies
#     J. Chem. Phys. 129, 184116 (2008)
#     10.1063/1.3009651
# 
# # 
basis "H_2ZaP" SPHERICAL 
#basis SET: (6s,1p) -> [3s,1p]
H    S
      0.1298677400E+02       0.1972161440E-01
      0.1960089000E+01       0.1380691300E+00
      0.4442700000E+00       0.4784779630E+00
      0.1218710000E+00       0.5008373120E+00
H    S
      0.1406792384E+00       0.1000000000E+01
H    S
      0.3124407641E-01       0.1000000000E+01
H    P
      0.8111606153E+00       0.1000000000E+01
end
basis "C_2ZaP" SPHERICAL 
#basis SET: (15s,6p,1d) -> [4s,3p,1d]
C    S
      0.4431768960E+04       0.1126412510E-02
      0.6791821200E+03       0.8734741340E-02
      0.1497658010E+03       0.4539451210E-01
      0.4256773700E+02       0.1558464190E+00
      0.1397208900E+02       0.3730743300E+00
      0.4807170000E+01       0.4626532720E+00
      0.1615022000E+01       0.1098742700E+00
C    S
      0.4256773700E+02      -0.2364751330E-02
      0.1397208900E+02      -0.1487610310E-01
      0.4807170000E+01      -0.8611765300E-01
      0.1615022000E+01      -0.2085251710E-01
      0.5131410000E+00       0.5585812340E+00
      0.1572840000E+00       0.5690571880E+00
C    S
      0.1566899288E+00       0.1000000000E+01
C    S
      0.4710599150E-01       0.1000000000E+01
C    P
      0.9442539000E+01       0.3809696950E-01
      0.2001672000E+01       0.2095159860E+00
      0.5455030000E+00       0.5086254920E+00
      0.1516190000E+00       0.4688007910E+00
C    P
      0.1579354367E+00       0.1000000000E+01
C    P
      0.4087366449E-01       0.1000000000E+01
C    D
      0.6074318765E+00       0.1000000000E+01
end
basis "N_2ZaP" SPHERICAL 
#basis SET: (15s,7p,1d) -> [4s,3p,1d]
N    S
      0.6086361610E+04       0.1121346695E-02
      0.9340025700E+03       0.8677456551E-02
      0.2062607910E+03       0.4508496665E-01
      0.5868250100E+02       0.1553521687E+00
      0.1929300800E+02       0.3736875266E+00
      0.6661753000E+01       0.4612500986E+00
      0.2250012000E+01       0.1103828059E+00
N    S
      0.5868250100E+02      -0.2419469256E-02
      0.1929300800E+02      -0.1577551006E-01
      0.6661753000E+01      -0.8682335163E-01
      0.2250012000E+01      -0.8902830622E-02
      0.7174680000E+00       0.5548068925E+00
      0.2184990000E+00       0.5420505988E+00
N    S
      0.2134390181E+00       0.1000000000E+01
N    S
      0.6069553046E-01       0.1000000000E+01
N    P
      0.2666742400E+02       0.1463545201E-01
      0.5956987000E+01       0.9158483996E-01
      0.1744905000E+01       0.2981215002E+00
      0.5564590000E+00       0.4977481443E+00
      0.1731140000E+00       0.3383848532E+00
N    P
      0.2270726086E+00       0.1000000000E+01
N    P
      0.5753239271E-01       0.1000000000E+01
N    D
      0.8853992832E+00       0.1000000000E+01
end
basis "O_2ZaP" SPHERICAL 
#basis SET: (15s,7p,1d) -> [4s,3p,1d]
O    S
      0.8037107558E+04       0.1112674636E-02
      0.1232703101E+04       0.8614189090E-02
      0.2722852310E+03       0.4479101384E-01
      0.7746967900E+02       0.1549325322E+00
      0.2548922100E+02       0.3741034002E+00
      0.8825615000E+01       0.4603852435E+00
      0.2995343000E+01       0.1109971843E+00
O    S
      0.7746967900E+02      -0.2517634976E-02
      0.2548922100E+02      -0.1680207397E-01
      0.8825615000E+01      -0.8923021683E-01
      0.2995343000E+01      -0.3292778730E-03
      0.9592800000E+00       0.5646333325E+00
      0.2912670000E+00       0.5283721694E+00
O    S
      0.2953643385E+00       0.1000000000E+01
O    S
      0.7763529957E-01       0.1000000000E+01
O    P
      0.3448340500E+02       0.1590954790E-01
      0.7755883000E+01       0.9960510949E-01
      0.2283024000E+01       0.3099926050E+00
      0.7171690000E+00       0.4905619039E+00
      0.2145740000E+00       0.3373392260E+00
O    P
      0.2853356395E+00       0.1000000000E+01
O    P
      0.6830216077E-01       0.1000000000E+01
O    D
      0.1253413556E+01       0.1000000000E+01
end
basis "F_2ZaP" SPHERICAL 
#basis SET: (15s,8p,1d) -> [4s,3p,1d]
F    S
      0.1024537363E+05       0.1107583316E-02
      0.1571089738E+04       0.8575751160E-02
      0.3471284760E+03       0.4460623641E-01
      0.9879170100E+02       0.1546687967E+00
      0.3253225600E+02       0.3744276417E+00
      0.1128802800E+02       0.4596521074E+00
      0.3843524000E+01       0.1114646099E+00
F    S
      0.9879170100E+02      -0.2590309950E-02
      0.3253225600E+02      -0.1758416480E-01
      0.1128802800E+02      -0.9078089989E-01
      0.3843524000E+01       0.6285889688E-02
      0.1234023000E+01       0.5703225081E+00
      0.3736610000E+00       0.5195039436E+00
F    S
      0.3866156976E+00       0.1000000000E+01
F    S
      0.9686809809E-01       0.1000000000E+01
F    P
      0.8037271400E+02       0.6372584698E-02
      0.1857364200E+02       0.4432012038E-01
      0.5685417000E+01       0.1689011879E+00
      0.1947181000E+01       0.3620610789E+00
      0.6692920000E+00       0.4413531478E+00
      0.2163470000E+00       0.2433000429E+00
F    P
      0.3657761458E+00       0.1000000000E+01
F    P
      0.8921714439E-01       0.1000000000E+01
F    D
      0.1703134082E+01       0.1000000000E+01
end
