# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# NLO-V version number 0
# Description: NLO-V (V=1-3) used to calculate linear and mainly nonlinear optical properties for molecules
# 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,B-F,Si-Cl
#      NLO-V
#          paschoal2013a
# 
# 
# 
# paschoal2013a
#     Paschoal, Diego, Santos, Hélio F. Dos
#     Assessing the quantum mechanical level of theory for prediction of
#             linear and nonlinear optical properties of push-pull organic
#             molecules
#     J. Mol. Model. 19, 2079-2090 (2013)
#     10.1007/s00894-012-1644-4
# 
# # 
basis "H_NLO-V" SPHERICAL 
#basis SET: (6s,2p) -> [2s,1p]
H    S
     13.01070100000          0.0175900
      4.089700000000         0.0136300
      1.962257200000         0.1066300
H    S
      0.965800000000         0.0372100
      0.444537960000         0.4552300
      0.121949620000         0.5076800
H    P
      2.616630000000         0.0023400
      0.462800000000         0.5239200
end
basis "B_NLO-V" SPHERICAL 
#basis SET: (10s,8p,2d) -> [3s,2p,1d]
B    S
    839.3183008600           0.0056800
    126.2646484300           0.0427700
     28.62060076300          0.1811100
     11.17200000000          0.0430600
B    S
      7.879372271000         0.4034300
      2.617600000000         0.4344400
      2.408885717200         0.0004900
B    S
      0.588240000000         0.0624300
      0.251051090360         0.6498700
      0.083648866069         0.3870500
B    P
     34.10060000000          0.0023900
      8.312000000000         0.0244500
      6.033222361900         0.0269700
      3.859000000000         0.0550900
B    P
      1.249915786600         0.1191400
      0.898600000000         0.0791100
      0.338716763500         0.4843500
      0.096415632351         0.8329900
B    D
      1.013920000000         0.0072900
      0.253290000000         0.0435300
end
basis "C_NLO-V" SPHERICAL 
#basis SET: (10s,8p,2d) -> [3s,2p,1d]
C    S
   1238.401693800            0.0012100
    186.2900499200           0.0090900
     42.25117634600          0.0423900
     11.67655793200          0.1268100
C    S
      3.623200000000         0.5093300
      3.593050648200         0.3131700
      0.987470000000         0.1062900
C    S
      0.402451473630         0.4967600
      0.305400000000         0.1332900
      0.130901826680         0.3943700
C    P
      9.468097062100         0.0379000
      2.010354514200         0.1917400
      0.783900000000         0.1066100
      0.547710047070         0.3137800
C    P
      0.197330000000         0.5806300
      0.152686137950         0.3063800
      0.101660000000         0.2935100
      0.043029300000         0.0405300
C    D
      2.486000000000         0.0022600
      0.164120000000         0.0099700
end
basis "N_NLO-V" SPHERICAL 
#basis SET: (10s,8p,2d) -> [3s,2p,1d]
N    S
   1712.841585300            0.0055400
    257.6481267700           0.0409900
     58.45824585300          0.1840000
     16.19836790500          0.4573900
N    S
      5.035732000000         0.4793200
      5.005260080900         0.3738400
      4.775700000000         0.4381800
N    S
      1.475900000000         0.0604000
      0.587318565710         0.0106400
      0.187645922530         0.0028700
N    P
     13.57147023300          0.0411200
      2.925737287400         0.2064600
      1.149209000000         0.1125900
      0.799277507540         0.3379600
N    P
      0.281150000000         0.6387600
      0.219543480340         0.3901400
      0.148770000000         0.2817400
      0.059277000000         0.0196600
N    D
      8.522000000000         0.0007400
      2.803000000000         0.0055000
end
basis "O_NLO-V" SPHERICAL 
#basis SET: (10s,8p,2d) -> [3s,2p,1d]
O    S
   2266.176778500            0.0054900
    340.8701019100           0.0406100
     77.36313516700          0.1831900
     21.47964494000          0.4563200
O    S
      6.658943312400         0.7555400
      6.115900000000         0.3479700
      2.074130000000         0.0766200
O    S
      0.809759756680         0.0502800
      0.608900000000         0.0380700
      0.255307722340         0.0033100
O    P
     81.60080000000          0.0044600
     17.72150431700          0.0265600
      8.721800000000         0.0429700
      3.863550544000         0.1375200
O    P
      3.588800000000         0.3463800
      1.048092088300         0.4872200
      0.276415444110         0.4524800
      0.067065000000         0.0487700
O    D
      7.198000000000         0.0013300
      0.282200000000         0.0085500
end
basis "F_NLO-V" SPHERICAL 
#basis SET: (10s,8p,2d) -> [3s,2p,1d]
F    S
   2894.832599000            0.0054400
    435.4193912000           0.0403200
     98.84332886600          0.1823600
     27.48519800100          0.4556200
F    S
      8.540549817100         0.6750300
      7.606400000000         0.0631800
      2.757004000000         0.0987900
F    S
      1.065457803800         0.4677200
      0.816992000000         0.1681100
      0.332473467480         0.4054000
F    P
     22.69663392400          0.0415600
      8.546200000000         0.0277700
      4.987233925700         0.1882700
      1.960299000000         0.1528700
F    P
      1.349161395400         0.3407400
      0.475750000000         0.2881400
      0.348298819770         0.1703900
      0.079310000000         0.0527200
F    D
      5.275600000000         0.0019200
      1.258140000000         0.0098600
end
basis "Si_NLO-V" SPHERICAL 
#basis SET: (14s,12p,2d) -> [4s,3p,1d]
Si    S
   6903.711868600            0.0055600
   1038.434641900            0.0423700
    235.8758148000           0.1807600
     66.06938516900          0.3361200
     59.10000040000          0.7510000
     34.35348173000          0.3816400
Si    S
     20.24794576100          0.1569200
     19.75041540000          0.0154000
      9.009500000000         0.1157800
Si    S
      5.275000000000         0.1454500
      3.637078819200         0.5542600
      1.400204859900         0.5385100
Si    S
      0.204844148050         0.7923400
      0.077994095468         0.3437900
Si    P
    179.8390737300           0.0102200
     41.90725884600          0.0681900
     15.01200000000          0.0874800
     12.95529436700          0.1346500
      5.812000000000         0.1916500
Si    P
      4.438326739300         0.2518100
      1.687000000000         0.5651000
      1.546224790400         0.8767600
      0.813920000000         0.1747700
Si    P
      0.356076123020         0.4031500
      0.295403000000         0.0557800
      0.100085137620         0.7083400
Si    D
      1.890000000000         0.0001200
      0.095830000000         0.0154200
end
basis "P_NLO-V" SPHERICAL 
#basis SET: (14s,12p,2d) -> [4s,3p,1d]
P    S
   8002.479510600            0.0055000
   1203.681359000            0.0419500
    273.4422703100           0.1793300
     76.65554151700          0.0693100
     69.99900000000          0.8197700
     39.79168343900          0.0531400
P    S
     38.52639900000          0.3148400
     23.51692743500          0.1605500
     10.69997000000          0.1167500
P    S
      5.818000000000         0.1754400
      4.277034332300         0.3867500
      1.694025688800         0.2751600
P    S
      0.275676746440         0.7972800
      0.104955900990         0.3536400
P    P
    219.5075582300           0.0095100
     51.27415503000          0.0670200
     15.92159589200          0.2488200
      5.506991348100         0.4670300
      1.989900000000         0.7966700
P    P
      1.953771942600         0.7771200
      0.625200000000         0.1311500
      0.478033979320         0.1165300
      0.259420000000         0.3957100
P    P
      0.136579526210         0.2832400
      0.076630000000         0.1716500
      0.037503000000         0.0283200
P    D
      0.986950000000         0.0071000
      0.256409000000         0.0335700
end
basis "S_NLO-V" SPHERICAL 
#basis SET: (14s,12p,2d) -> [4s,3p,1d]
S    S
   9184.930301000            0.0054500
   1381.510550300            0.0415100
    313.8714758000           0.1788200
     89.52000100000          0.3295200
     88.05387062300          0.3524100
     83.44800000000          0.7282800
S    S
     45.64873130300          0.2374300
     27.03991490500          0.2867100
      6.488000000000         0.1576100
S    S
      4.966452232600         0.5390300
      2.011624204700         0.3372200
      0.507419900000         0.1956800
S    S
      0.356610770130         0.5733200
      0.135072214770         0.4258900
S    P
    261.9823343900           0.0090600
     61.30689473600          0.0644800
     19.10372988700          0.2426500
      6.656772037800         0.4641700
      2.395963516100         1.9630600
S    P
      2.364920000000         1.5972900
      0.814400000000         0.1245900
      0.617761616790         0.1719300
      0.325180000000         0.3540900
S    P
      0.169933768710         0.3238200
      0.080394000000         0.1702000
      0.041696000000         0.0159300
S    D
      2.920600000000         0.0015900
      0.124270000000         0.0106600
end
basis "Cl_NLO-V" SPHERICAL 
#basis SET: (14s,12p,2d) -> [4s,3p,1d]
Cl    S
  10449.82756600             0.0054000
   1571.736522100            0.0412700
    357.1206552300           0.1766500
    100.2518593500           0.8717300
     97.58000000000          0.7513100
     51.92378943400          0.3085100
Cl    S
     30.81272755400          0.2218300
     10.54800000000          0.1878600
      7.304000000000         0.2275600
Cl    S
      5.704576097500         0.7094300
      2.350837680900         0.4713200
      1.059000000000         0.0412900
Cl    S
      0.446051246720         0.7169300
      0.168488561900         0.4144600
Cl    P
    307.6679056900           0.0088000
     72.10201551500          0.0631600
     22.53268026200          0.2406500
      7.899176544400         0.4673100
      2.876726832100         0.4970100
Cl    P
      2.379910000000         0.1474300
      1.064900000000         0.1280600
      0.774593639550         0.2962400
      0.404530000000         0.3183400
Cl    P
      0.210376996980         0.3884300
      0.067470000000         0.1550200
      0.047460500000         0.0571100
Cl    D
      0.560800000000         0.1509500
      0.149060000000         0.7820100
end
