/usr/share/nwchem/libraries/sto-2g is in nwchem-data 6.3+r1-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 | # STO-2G EMSL Basis Set Exchange Library 3/15/13 10:18 AM
# Elements References
# -------- ----------
# H - He: W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 2657 (1969).
# Li - Ne:
# Na - Ar: W.J. Hehre, R. Ditchfield, R.F. Stewart, J.A. Pople, J. Chem. Phys.
# K - Kr: 52, 2769 (1970).
#
basis "H_STO-2G" CARTESIAN
H S
1.309756377 0.430128498
0.233135974 0.678913531
end
basis "He_STO-2G" CARTESIAN
He S
2.4328790 0.4301280
0.4330510 0.6789140
end
basis "Li_STO-2G" CARTESIAN
Li S
6.1638450 0.4301280
1.0971610 0.6789140
Li SP
0.2459160 0.0494720 0.5115410
0.0623710 0.9637820 0.6128200
end
basis "Be_STO-2G" CARTESIAN
Be S
11.5356690 0.4301280
2.0533430 0.6789140
Be SP
0.5081630 0.0494720 0.5115410
0.1288840 0.9637820 0.6128200
end
basis "B_STO-2G" CARTESIAN
B S
18.6568730 0.4301280
3.3209140 0.6789140
B SP
0.8645500 0.0494720 0.5115410
0.2192730 0.9637820 0.6128200
end
basis "C_STO-2G" CARTESIAN
C S
27.38503303 0.430128498
4.874522052 0.678913531
C SP
1.136748189 0.049471769 0.511540708
0.288309360 0.963782408 0.612819896
end
basis "N_STO-2G" CARTESIAN
N S
37.8964750 0.4301280
6.7455540 0.6789140
N SP
1.4610890 0.0494720 0.5115410
0.3705710 0.9637820 0.6128200
end
basis "O_STO-2G" CARTESIAN
O S
49.9809710 0.4301280
8.8965880 0.6789140
O SP
1.9452370 0.0494720 0.5115410
0.4933630 0.9637820 0.6128200
end
basis "F_STO-2G" CARTESIAN
F S
63.7352020 0.4301280
11.3448340 0.6789140
F SP
2.4985480 0.0494720 0.5115410
0.6336980 0.9637820 0.6128200
end
basis "Ne_STO-2G" CARTESIAN
Ne S
79.1591680 0.4301280
14.0902920 0.6789140
Ne SP
3.1870760 0.0494720 0.5115410
0.8083270 0.9637820 0.6128200
end
basis "Na_STO-2G" CARTESIAN
Na S
95.8910160 0.4301280
17.0685520 0.6789140
Na SP
4.6533520 0.0494720 0.5115410
1.1802130 0.9637820 0.6128200
Na SP
0.2840050 -0.2983990 0.3480470
0.0974390 1.2279830 0.7222520
end
basis "Mg_STO-2G" CARTESIAN
Mg S
114.4231830 0.4301280
20.3672690 0.6789140
Mg SP
5.8443550 0.0494720 0.5115410
1.4822830 0.9637820 0.6128200
Mg SP
0.3178150 -0.2983990 0.3480470
0.1090390 1.2279830 0.7222520
end
basis "Al_STO-2G" CARTESIAN
Al S
134.3774610 0.4301280
23.9191200 0.6789140
Al SP
7.3043300 0.0494720 0.5115410
1.8525710 0.9637820 0.6128200
Al SP
0.3747870 -0.2983990 0.3480470
0.1285860 1.2279830 0.7222520
end
basis "Si_STO-2G" CARTESIAN
Si S
155.9346910 0.4301280
27.7562960 0.6789140
Si SP
8.9639960 0.0494720 0.5115410
2.2735060 0.9637820 0.6128200
Si SP
0.4660350 -0.2983990 0.3480470
0.1598920 1.2279830 0.7222520
end
basis "P_STO-2G" CARTESIAN
P S
179.0948740 0.4301280
31.8787970 0.6789140
P SP
10.8341890 0.0494720 0.5115410
2.7478370 0.9637820 0.6128200
P SP
0.5872910 -0.2983990 0.3480470
0.2014940 1.2279830 0.7222520
end
basis "S_STO-2G" CARTESIAN
S S
203.8580090 0.4301280
36.2866230 0.6789140
S SP
12.8814430 0.0494720 0.5115410
3.2670740 0.9637820 0.6128200
S SP
0.7225530 -0.2983990 0.3480470
0.2479010 1.2279830 0.7222520
end
basis "Cl_STO-2G" CARTESIAN
Cl S
229.9441040 0.4301280
40.9299350 0.6789140
Cl SP
15.0576100 0.0494720 0.5115410
3.8190080 0.9637820 0.6128200
Cl SP
0.8883460 -0.2983990 0.3480470
0.3047830 1.2279830 0.7222520
end
basis "Ar_STO-2G" CARTESIAN
Ar S
257.8966190 0.4301280
45.9054680 0.6789140
Ar SP
17.4552940 0.0494720 0.5115410
4.4271240 0.9637820 0.6128200
Ar SP
1.0530930 -0.2983990 0.3480470
0.3613060 1.2279830 0.7222520
end
basis "K_STO-2G" CARTESIAN
K S
295.0121465 0.4301284983
52.51201337 0.6789135305
K SP
20.25259239 0.0494717692 0.5115407076
5.136592224 0.9637824081 0.6128198961
K SP
1.466966455 -0.298398604 0.3480471912
0.503301550 1.227982887 0.7222523221
K SP
0.254048142 -0.661560302 0.1309890515
0.102239820 1.510754134 0.8946431268
end
basis "Ca_STO-2G" CARTESIAN
Ca S
326.5671727 0.4301284983
58.12879211 0.6789135305
Ca SP
23.01915102 0.0494717692 0.5115407076
5.838264545 0.9637824081 0.6128198961
Ca SP
1.757469459 -0.2983986044 0.3480471912
0.602970232 1.2279828870 0.7222523221
Ca SP
0.229785047 -0.6615603018 0.1309890515
0.092475315 1.5107541340 0.8946431268
end
basis "Sr_STO-2G" CARTESIAN
Sr S
1185.7623300 0.4301284983
211.0650970 0.6789135305
Sr SP
101.8394821 0.0494717692 0.5115407076
25.82918184 0.9637824081 0.6128198961
Sr SP
12.54411156 -0.3121716958 0.2940025217
3.879731996 1.2253984220 0.7800415894
Sr SP
1.240560967 -0.6615603018 0.1309890515
0.499254706 1.5107541340 0.8946431268
Sr SP
0.2632280820 -1.0936897920 -0.1047403535
0.1273435176 1.8813746560 1.0876267930
Sr D
12.54411156 0.6006042500
3.879731996 0.5292040571
end
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