/usr/share/nwchem/libraries/nlo-v is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# H B C N O F Si P S Cl: Diego Paschoal, Hélio F. Dos Santos, Assessing the quantum mechanical level of theory for prediction of linear and nonlinear optical properties of push-pull organic molecules, Journal of Molecular Modeling 19, 2079-2090 (2013) DOI: 10.1007/s00894-012-1644-4.
#
basis "H_NLO-V" SPHERICAL
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
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
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
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
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
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
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
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
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
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
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