/usr/share/nwchem/libraries/sto-3gs is in nwchem-data 6.3+r1-1build1.
This file is owned by root:root, with mode 0o644.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 | # STO-3G* EMSL Basis Set Exchange Library 3/15/13 10:18 AM
# Elements References
# -------- ----------
# H - Ne: W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 2657 (1969).
# Na - Ar: W.J. Hehre, R. Ditchfield, R.F. Stewart, J.A. Pople,
# J. Chem. Phys. 2769 (1970).
# K,Ca - : W.J. Pietro, B.A. Levy, W.J. Hehre and R.F. Stewart,
# Ga - Kr: J. Am. Chem. Soc. 19, 2225 (1980).
# Sc - Zn: W.J. Pietro and W.J. Hehre, J. Comp. Chem. 4, 241 (1983) + Gaussian.
# Y - Cd: W.J. Pietro and W.J. Hehre, J. Comp. Chem. 4, 241 (1983). + Gaussian
#
# Elements Reference
# -------- ----------
# Na - Ar: J.B. Collins, P.R. Schleyer, J.S. Binkley, J.A. Pople, J. Chem.
# Phys. 64, 5142 (1976)
#
basis "Na_STO-3G*" SPHERICAL
Na S
250.7724300 0.1543289673
45.6785110 0.5353281423
12.3623880 0.4446345422
Na SP
12.0401930 -0.09996722919 0.1559162750
2.7978819 0.39951282610 0.6076837186
0.9099580 0.70011546890 0.3919573931
Na SP
1.4787406 -0.2196203690 0.01058760429
0.4125649 0.2255954336 0.59516700530
0.1614751 0.9003984260 0.46200101200
Na D
0.0900000 1.0000000
end
basis "Mg_STO-3G*" SPHERICAL
Mg S
299.2374000 0.1543289673
54.5064700 0.5353281423
14.7515800 0.4446345422
Mg SP
15.1218200 -0.09996722919 0.1559162750
3.5139870 0.39951282610 0.6076837186
1.1428570 0.70011546890 0.3919573931
Mg SP
1.3954480 -0.2196203690 0.01058760429
0.3893260 0.2255954336 0.59516700530
0.1523800 0.9003984260 0.46200101200
Mg D
0.0900000 1.0000000
end
basis "Al_STO-3G*" SPHERICAL
Al S
351.4214767 0.1543289673
64.01186067 0.5353281423
17.32410761 0.4446345422
Al SP
18.89939621 -0.09996722919 0.1559162750
4.391813233 0.39951282610 0.6076837186
1.428353970 0.70011546890 0.3919573931
Al SP
1.3954482930 -0.2196203690 0.01058760429
0.3893265318 0.2255954336 0.59516700530
0.1523797659 0.9003984260 0.46200101200
Al D
0.3900000 1.0000000
end
basis "Si_STO-3G*" SPHERICAL
Si S
407.7975514 0.1543289673
74.28083305 0.5353281423
20.10329229 0.4446345422
Si SP
23.19365606 -0.09996722919 0.1559162750
5.389706871 0.39951282610 0.6076837186
1.752899952 0.70011546890 0.3919573931
Si SP
1.4787406220 -0.2196203690 0.01058760429
0.4125648801 0.2255954336 0.59516700530
0.1614750979 0.9003984260 0.46200101200
Si D
0.3900000 1.0000000
end
basis "P_STO-3G*" SPHERICAL
P S
468.3656378 0.1543289673
85.31338559 0.5353281423
23.08913156 0.4446345422
P SP
28.03263958 -0.09996722919 0.1559162750
6.514182577 0.39951282610 0.6076837186
2.118614352 0.70011546890 0.3919573931
P SP
1.7431032310 -0.2196203690 0.01058760429
0.4863213771 0.2255954336 0.59516700530
0.1903428909 0.9003984260 0.46200101200
P D
0.3900000 1.0000000
end
basis "S_STO-3G*" SPHERICAL
S S
533.1257359 0.1543289673
97.10951830 0.5353281423
26.28162542 0.4446345422
S SP
33.32975173 -0.09996722919 0.1559162750
7.745117521 0.39951282610 0.6076837186
2.518952599 0.70011546890 0.3919573931
S SP
2.0291942740 -0.2196203690 0.01058760429
0.5661400518 0.2255954336 0.59516700530
0.2215833792 0.9003984260 0.46200101200
S D
0.3900000 1.0000000
end
basis "Cl_STO-3G*" SPHERICAL
Cl S
601.3456136 0.1543289673
109.5358542 0.5353281423
29.64467686 0.4446345422
Cl SP
38.96041889 -0.09996722919 0.1559162750
9.053563477 0.39951282610 0.6076837186
2.944499834 0.70011546890 0.3919573931
Cl SP
2.1293864950 -0.2196203690 0.01058760429
0.5940934274 0.2255954336 0.59516700530
0.2325241410 0.9003984260 0.46200101200
Cl D
0.3900000 1.0000000
end
basis "Ar_STO-3G*" SPHERICAL
Ar S
674.4465184 0.1543289673
122.8512753 0.5353281423
33.24834945 0.4446345422
Ar SP
45.16424392 -0.09996722919 0.1559162750
10.49519900 0.39951282610 0.6076837186
3.413364448 0.70011546890 0.3919573931
Ar SP
2.6213665180 -0.2196203690 0.01058760429
0.7313546050 0.2255954336 0.59516700530
0.2862472356 0.9003984260 0.46200101200
Ar D
0.3900000 1.0000000
end
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