# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# 3ZaP version number 1
# Description: 3ZaP 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
#      3ZaP 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_3ZaP" SPHERICAL 
#basis SET: (9s,2p,1d) -> [4s,2p,1d]
H    S
      0.3103180000E+00       0.1000000000E+01
H    S
      0.4900000000E+02       0.2858829669E-02
      0.1244050400E+02       0.1359826619E-01
      0.2829825000E+01       0.7681981526E-01
      0.7995040000E+00       0.2548902209E+00
      0.2585190000E+00       0.4987633678E+00
      0.8994700000E-01       0.2961894029E+00
H    S
      0.9530200000E-01       0.1000000000E+01
H    S
      0.2433971938E-01       0.1000000000E+01
H    P
      0.1646798000E+01       0.1000000000E+01
H    P
      0.4280520000E+00       0.1000000000E+01
H    D
      0.1064733810E+01       0.1000000000E+01
end
basis "C_3ZaP" SPHERICAL 
#basis SET: (19s,9p,2d,1f) -> [5s,4p,2d,1f]
C    S
      0.1015500000E+05       0.3156732957E-03
      0.2346160177E+04       0.1725749618E-02
      0.5154085610E+03       0.1037328263E-01
      0.1440339340E+03       0.4080649103E-01
      0.4728273700E+02       0.1273885730E+00
      0.1712956000E+02       0.2943114843E+00
      0.6528889000E+01       0.4369101365E+00
      0.2526241000E+01       0.2320752643E+00
      0.9666760000E+00       0.1059361372E-01
C    S
      0.9995730000E+00       0.1000000000E+01
C    S
      0.4728273700E+02      -0.1492554323E-02
      0.1712956000E+02      -0.9591417528E-02
      0.6528889000E+01      -0.4955239610E-01
      0.2526241000E+01      -0.9028977181E-01
      0.9666760000E+00       0.1693337610E+00
      0.3588470000E+00       0.5866037274E+00
      0.1273270000E+00       0.3797681152E+00
C    S
      0.1337080000E+00       0.1000000000E+01
C    S
      0.5030293341E-01       0.1000000000E+01
C    P
      0.4829570000E+00       0.1000000000E+01
C    P
      0.3471745600E+02       0.5324816608E-02
      0.7967846000E+01       0.3579802669E-01
      0.2381698000E+01       0.1418242579E+00
      0.8160440000E+00       0.3420609549E+00
      0.2896050000E+00       0.4643373158E+00
      0.1008240000E+00       0.2506918539E+00
C    P
      0.1464080000E+00       0.1000000000E+01
C    P
      0.4089341379E-01       0.1000000000E+01
C    D
      0.1152629000E+01       0.1000000000E+01
C    D
      0.3512870000E+00       0.1000000000E+01
C    F
      0.8081965655E+00       0.1000000000E+01
end
basis "N_3ZaP" SPHERICAL 
#basis SET: (19s,10p,2d,1f) -> [5s,4p,2d,1f]
N    S
      0.2072447294E+05       0.2406152802E-03
      0.3241297059E+04       0.1847563269E-02
      0.7124451110E+03       0.1012472272E-01
      0.1992237930E+03       0.4048953304E-01
      0.6546155900E+02       0.1261838912E+00
      0.2375162000E+02       0.2939695534E+00
      0.9072911000E+01       0.4369527941E+00
      0.3519491000E+01       0.2324830976E+00
      0.1349102000E+01       0.1160371008E-01
N    S
      0.1364532000E+01       0.1000000000E+01
N    S
      0.6546155900E+02      -0.1573249931E-02
      0.2375162000E+02      -0.1024095091E-01
      0.9072911000E+01      -0.5209803717E-01
      0.3519491000E+01      -0.8742132140E-01
      0.1349102000E+01       0.1845716863E+00
      0.5002440000E+00       0.5858846416E+00
      0.1761940000E+00       0.3679491589E+00
N    S
      0.1741490000E+00       0.1000000000E+01
N    S
      0.6289344786E-01       0.1000000000E+01
N    P
      0.6338400000E+00       0.1000000000E+01
N    P
      0.8690171600E+02       0.2162940339E-02
      0.2041698200E+02       0.1619365079E-01
      0.6310652000E+01       0.6974846967E-01
      0.2258484000E+01       0.2027255959E+00
      0.8593620000E+00       0.3735159869E+00
      0.3289750000E+00       0.4056178668E+00
      0.1220340000E+00       0.1774483509E+00
N    P
      0.1935270000E+00       0.1000000000E+01
N    P
      0.5511647765E-01       0.1000000000E+01
N    D
      0.1739181000E+01       0.1000000000E+01
N    D
      0.5118650000E+00       0.1000000000E+01
N    F
      0.1135972813E+01       0.1000000000E+01
end
basis "O_3ZaP" SPHERICAL 
#basis SET: (19s,10p,2d,1f) -> [5s,4p,2d,1f]
O    S
      0.2745879784E+05       0.2375787405E-03
      0.4297136357E+04       0.1823222218E-02
      0.9445833820E+03       0.9996448022E-02
      0.2640945520E+03       0.4003728095E-01
      0.8678909100E+02       0.1251636091E+00
      0.3151961800E+02       0.2931027755E+00
      0.1206385800E+02       0.4368066615E+00
      0.4692205000E+01       0.2336964467E+00
      0.1802713000E+01       0.1253807717E-01
O    S
      0.1866456000E+01       0.1000000000E+01
O    S
      0.8678909100E+02      -0.1629763628E-02
      0.3151961800E+02      -0.1078045138E-01
      0.1206385800E+02      -0.5402166411E-01
      0.4692205000E+01      -0.8607613537E-01
      0.1802713000E+01       0.1967703106E+00
      0.6682620000E+00       0.5881515793E+00
      0.2339100000E+00       0.3557517766E+00
O    S
      0.2495200000E+00       0.1000000000E+01
O    S
      0.8213765825E-01       0.1000000000E+01
O    P
      0.7308340000E+00       0.1000000000E+01
O    P
      0.1113840550E+03       0.2375442280E-02
      0.2615828700E+02       0.1789814230E-01
      0.8119815000E+01       0.7725970482E-01
      0.2914508000E+01       0.2164306570E+00
      0.1101603000E+01       0.3755684811E+00
      0.4126960000E+00       0.3942350471E+00
      0.1480310000E+00       0.1776475400E+00
O    P
      0.2184890000E+00       0.1000000000E+01
O    P
      0.6340484127E-01       0.1000000000E+01
O    D
      0.2431609000E+01       0.1000000000E+01
O    D
      0.6959140000E+00       0.1000000000E+01
O    F
      0.1491326602E+01       0.1000000000E+01
end
basis "F_3ZaP" SPHERICAL 
#basis SET: (19s,11p,2d,1f) -> [5s,4p,2d,1f]
F    S
      0.3513911922E+05       0.2353490490E-03
      0.5491756542E+04       0.1808556500E-02
      0.1207090973E+04       0.9914378130E-02
      0.3375494610E+03       0.3973682500E-01
      0.1109496670E+03       0.1245184320E+00
      0.4030933100E+02       0.2928441850E+00
      0.1544075800E+02       0.4367625880E+00
      0.6013335000E+01       0.2336155340E+00
      0.2312966000E+01       0.1305999540E-01
F    S
      0.2454945000E+01       0.1000000000E+01
F    S
      0.1109496670E+03      -0.1721437250E-02
      0.4030933100E+02      -0.1151208050E-01
      0.1544075800E+02      -0.5706580580E-01
      0.6013335000E+01      -0.8665503900E-01
      0.2312966000E+01       0.2118231970E+00
      0.8570220000E+00       0.6044202180E+00
      0.2985380000E+00       0.3563133430E+00
F    S
      0.3332050000E+00       0.1000000000E+01
F    S
      0.1035668022E+00       0.1000000000E+01
F    P
      0.9214480000E+00       0.1000000000E+01
F    P
      0.2405371140E+03       0.1001008631E-02
      0.5701998600E+02       0.8155380756E-02
      0.1801984400E+02       0.3803944513E-01
      0.6664284000E+01       0.1218653311E+00
      0.2643653000E+01       0.2651130522E+00
      0.1064168000E+01       0.3720348303E+00
      0.4195450000E+00       0.3347027562E+00
      0.1576840000E+00       0.1291955241E+00
F    P
      0.2698430000E+00       0.1000000000E+01
F    P
      0.8149793094E-01       0.1000000000E+01
F    D
      0.3226467000E+01       0.1000000000E+01
F    D
      0.9062990000E+00       0.1000000000E+01
F    F
      0.1976769772E+01       0.1000000000E+01
end
