/usr/share/nwchem/libraries/midi! is in nwchem-data 6.6+r27746-2.
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 | # MIDI! EMSL Basis Set Exchange Library 3/15/13 10:17 AM
# S. Huzinaga, Ed.,J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai,
# H. Tatewaki in Gaussian Basis Sets for Molecular Calculations:
# Elsevier, Amsterdam, 1984.
# R. E. Easton, D. J. Giesen, A. Welch, C. J. Cramer, D. G. Truhlar,
# Theor. Chim. Acta, In Press.
#
basis "H_MIDI!" SPHERICAL
H S
4.5018000 0.0704520
0.6814440 0.4078260
H S
0.1513980 1.0000000
end
basis "C_MIDI!" SPHERICAL
C S
153.1722600 0.0707400
23.0730300 0.3953800
4.9232900 0.6633110
C S
5.7255700 -0.0813800
0.4550400 0.5748530
C S
0.1470700 1.0000000
C P
4.2513100 0.1099310
0.8632700 0.4627130
C P
0.2013500 1.0000000
end
basis "N_MIDI!" SPHERICAL
N S
218.3644900 0.0678700
32.5988900 0.3902020
6.9173900 0.6700830
N S
8.3263800 -0.0808900
0.6591900 0.5672020
N S
0.2100900 1.0000000
N P
6.1203500 0.1159190
1.2593800 0.4699580
N P
0.2914500 1.0000000
N D
0.8500000 1.0000000
end
basis "O_MIDI!" SPHERICAL
O S
281.8665800 0.0690600
42.4160000 0.3931590
9.0956200 0.6656690
O S
11.4660300 -0.0808200
0.8878600 0.5820900
O S
0.2788000 1.0000000
O P
8.0472400 0.1242710
1.6684200 0.4765940
O P
0.3725100 1.0000000
O D
0.8000000 1.0000000
end
basis "F_MIDI!" SPHERICAL
F S
368.3711200 0.0670400
55.0610600 0.3892490
11.7476700 0.6707880
F S
15.1518400 -0.0805500
1.1513700 0.5877290
F S
0.3581100 1.0000000
F P
10.5770700 0.1262700
2.1949800 0.4779480
F P
0.4793700 1.0000000
F D
1.0000000 1.0000000
end
basis "Si_MIDI!" SPHERICAL
Si S
910.6550000 0.0660820
137.3360000 0.3862290
29.7601000 0.6723800
Si S
36.6716000 -0.1045110
8.3172900 0.1074100
2.2164500 0.9514460
Si S
1.0791300 -0.3761080
0.3024220 1.2516500
Si S
0.0933390 1.0000000
Si P
36.6716000 0.1133550
8.3172900 0.4575780
2.2164500 0.6074270
Si P
1.0791300 0.0671030
0.3024220 0.9568830
Si P
0.0933390 1.0000000
Si D
0.4000000 1.0000000
end
basis "P_MIDI!" SPHERICAL
P S
1053.2658000 0.0658650
158.7904400 0.3845780
34.4244070 0.6739630
P S
45.4503800 -0.0926550
3.8999260 0.6265130
1.4885070 0.4410390
P S
2.3008410 -0.1805490
0.2989590 0.6809520
P S
0.1088540 1.0000000
P P
46.1000190 0.1053880
10.1650570 0.4597120
2.6447940 0.6137140
P P
0.6326860 0.2358850
0.2402190 0.5541600
P P
0.0864470 1.0000000
P D
0.2500000 1.0000000
end
basis "S_MIDI!" SPHERICAL
S S
1201.4584000 0.0657650
181.3921200 0.3839480
39.4047950 0.6743720
S S
52.1390300 -0.0942320
4.5287990 0.6354680
1.7549380 0.4315060
S S
2.8404370 0.1900420
0.3814330 -0.6855270
S S
0.1387860 1.0000000
S P
54.6440710 0.1036730
12.1229020 0.4581900
3.2065040 0.6134000
S P
0.8632740 0.2294360
0.1086790 0.3537000
S P
0.3181300 1.0000000
S D
0.4000000 1.0000000
end
basis "Cl_MIDI!" SPHERICAL
Cl S
1362.0220000 0.0655440
205.8111000 0.3829870
44.7721670 0.6752100
Cl S
59.2257320 -0.0956200
5.2139020 0.6414260
2.0473460 0.4251530
Cl S
3.4197120 0.1964010
0.4700170 -0.6923600
Cl S
0.1699580 1.0000000
Cl P
64.0999580 0.1017890
14.2871390 0.4561070
3.8281350 0.6142820
Cl P
1.0951260 0.2359030
0.1321760 0.3466000
Cl P
0.3960040 1.0000000
Cl D
0.6500000 1.0000000
end
basis "Br_MIDI!" SPHERICAL
Br S
6103.2899000 0.06241800
923.6974300 0.37204100
202.5203100 0.68587300
Br S
270.6015000 -0.11214900
58.2535700 0.09314500
18.4693300 0.96167900
Br S
19.7614200 -0.29387000
6.8217520 0.28026600
2.2916290 0.90203600
Br S
2.1312060 -0.65180300
0.4993540 1.33601200
Br S
0.1647640 1.0000000
Br P
270.6015000 0.14775100
58.2535700 0.60105600
18.4693300 0.41287000
Br P
19.7614200 0.02500700
6.8217520 0.48661000
2.2916290 0.58242300
Br P
2.1312060 0.02870800
0.4993540 0.98407000
Br P
0.1647640 1.0000000
Br D
33.9650970 0.14966700
8.9008310 0.51174800
2.4284360 0.57591500
Br D
0.4000000 1.0000000
end
basis "I_MIDI!" SPHERICAL
I S
14351.1860000 0.0610030
2173.0741000 0.3666400
477.8720500 0.6911310
I S
648.1887000 -0.1128510
140.3064000 0.0832280
45.6988000 0.9697520
I S
56.6946900 -0.2736970
27.4887500 0.0465000
8.2090960 1.0915760
I S
8.1916790 -0.4508280
3.2445960 0.4632090
1.3004890 0.8386360
I S
1.4513800 -0.6658520
0.3281030 1.3285840
I S
0.1150760 1.0000000
I P
648.1887000 0.1541140
140.3064000 0.6194620
45.6988000 0.3837580
I P
56.6946900 -0.1523220
27.4887500 0.5437690
8.2090960 0.6561680
I P
8.1916790 0.0118700
3.2445960 0.5265250
1.3004890 0.5266080
I P
1.4513800 0.0275410
0.3281030 0.9851370
I P
0.1150760 1.0000000
I D
128.0902600 0.1158640
35.9823780 0.4820490
11.5511160 0.5894450
I D
6.1461520 0.2681820
2.2209370 0.5800610
0.8099120 0.3262260
I D
0.4000000 1.0000000
end
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