/usr/share/nwchem/libraries/ccj-pvtz is in nwchem-data 6.6+r27746-2.
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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 | # ccJ-pVTZ EMSL Basis Set Exchange Library 3/15/13 10:17 AM
# Elements References
# -------- ----------
# H He B C N O F Ne: Udo Benedikt, Alexander A. Auer, Frank Jensen, Optimization of Augmentation Functions for Correlated Calculations of Spin-Spin Coupling Constants and Related Properties, J. Chem. Phys. 129, 064111 (2008).
#
basis "H_ccJ-pVTZ" SPHERICAL
H S
8941.6800000 0.0251117
372.5700000 0.9748883
H S
33.8700000 0.1126102
5.0950000 0.8873898
H S
1.1590000 1.0000000
H S
0.3258000 1.0000000
H S
0.1027000 1.0000000
H P
14.0700000 1.0000000
H P
1.4070000 1.0000000
H P
0.3880000 1.0000000
H D
2.1140000 1.0000000
H D
1.0570000 1.0000000
end
basis "He_ccJ-pVTZ" SPHERICAL
He S
61776.0000000 0.0251338
2574.0000000 0.9748662
He S
234.0000000 0.1114201
35.1600000 0.8885799
He S
7.9890000 1.0000000
He S
2.2120000 1.0000000
He S
0.6669000 1.0000000
He S
0.2089000 1.0000000
He P
30.4400000 1.0000000
He P
3.0440000 1.0000000
He P
0.7580000 1.0000000
He D
3.9300000 1.0000000
He D
1.9650000 1.0000000
end
basis "B_ccJ-pVTZ" SPHERICAL
B S
1565278.0000000 0.0014072
60203.0000000 0.0582818
5473.0000000 0.9403110
B S
820.9000000 0.0389945
186.8000000 0.1980132
52.8300000 0.7629923
B S
17.0800000 0.3540957
5.9990000 0.6459042
B S
2.2080000 1.0000000
B S
0.5879000 1.0000000
B S
0.2415000 1.0000000
B S
0.0861000 1.0000000
B P
72.3000000 0.0090715
12.0500000 0.1443726
2.6130000 0.8465559
B P
0.7475000 1.0000000
B P
0.2385000 1.0000000
B P
0.0769800 1.0000000
B D
2.6440000 1.0000000
B D
0.6610000 1.0000000
B D
0.1990000 1.0000000
B F
0.4900000 1.0000000
end
basis "C_ccJ-pVTZ" SPHERICAL
C S
2355496.0000000 0.0014070
90596.0000000 0.0582677
8236.0000000 0.9403253
C S
1235.0000000 0.0385966
280.8000000 0.1966971
79.2700000 0.7647062
C S
25.5900000 0.3508430
8.9970000 0.6491569
C S
3.3190000 1.0000000
C S
0.9059000 1.0000000
C S
0.3643000 1.0000000
C S
0.1285000 1.0000000
C P
112.2600000 0.0086306
18.7100000 0.1354950
4.1330000 0.8558744
C P
1.2000000 1.0000000
C P
0.3827000 1.0000000
C P
0.1209000 1.0000000
C D
4.3880000 1.0000000
C D
1.0970000 1.0000000
C D
0.3180000 1.0000000
C F
0.7610000 1.0000000
end
basis "N_ccJ-pVTZ" SPHERICAL
N S
3266120.0000000 0.0014068
125620.0000000 0.0582480
11420.0000000 0.9403453
N S
1712.0000000 0.0385468
389.3000000 0.1965394
110.0000000 0.7649138
N S
35.5700000 0.3496198
12.5400000 0.6503802
N S
4.6440000 1.0000000
N S
1.2930000 1.0000000
N S
0.5118000 1.0000000
N S
0.1787000 1.0000000
N P
159.7800000 0.0083791
26.6300000 0.1312638
5.9480000 0.8603570
N P
1.7420000 1.0000000
N P
0.5550000 1.0000000
N P
0.1725000 1.0000000
N D
6.6160000 1.0000000
N D
1.6540000 1.0000000
N D
0.4690000 1.0000000
N F
1.0930000 1.0000000
end
basis "O_ccJ-pVTZ" SPHERICAL
O S
4384380.0000000 0.0014069
168630.0000000 0.0582656
15330.0000000 0.9403275
O S
2299.0000000 0.0382400
522.4000000 0.1955693
147.3000000 0.7661907
O S
47.5500000 0.3474866
16.7600000 0.6525135
O S
6.2070000 1.0000000
O S
1.7520000 1.0000000
O S
0.6882000 1.0000000
O S
0.2384000 1.0000000
O P
206.7600000 0.0083210
34.4600000 0.1313168
7.7490000 0.8603621
O P
2.2800000 1.0000000
O P
0.7156000 1.0000000
O P
0.2140000 1.0000000
O D
9.2560000 1.0000000
O D
2.3140000 1.0000000
O D
0.6450000 1.0000000
O F
1.4280000 1.0000000
end
basis "F_ccJ-pVTZ" SPHERICAL
F S
5577000.0000000 0.0014066
214500.0000000 0.0582270
19500.0000000 0.9403664
F S
2923.0000000 0.0382585
664.5000000 0.1955718
187.5000000 0.7661697
F S
60.6200000 0.3473708
21.4200000 0.6526292
F S
7.9500000 1.0000000
F S
2.2570000 1.0000000
F S
0.8815000 1.0000000
F S
0.3041000 1.0000000
F P
263.2800000 0.0082539
43.8800000 0.1311696
9.9260000 0.8605765
F P
2.9300000 1.0000000
F P
0.9132000 1.0000000
F P
0.2672000 1.0000000
F D
12.4280000 1.0000000
F D
3.1070000 1.0000000
F D
0.8550000 1.0000000
F F
1.9170000 1.0000000
end
basis "Ne_ccJ-pVTZ" SPHERICAL
Ne S
6964100.0000000 0.0014066
267850.0000000 0.0582348
24350.0000000 0.9403586
Ne S
3650.0000000 0.0381603
829.6000000 0.1951907
234.0000000 0.7666490
Ne S
75.6100000 0.3466986
26.7300000 0.6533014
Ne S
9.9270000 1.0000000
Ne S
2.8360000 1.0000000
Ne S
1.1020000 1.0000000
Ne S
0.3782000 1.0000000
Ne P
328.2000000 0.0081889
54.7000000 0.1310061
12.4300000 0.8608050
Ne P
3.6790000 1.0000000
Ne P
1.1430000 1.0000000
Ne P
0.3300000 1.0000000
Ne D
16.0560000 1.0000000
Ne D
4.0140000 1.0000000
Ne D
1.0960000 1.0000000
Ne F
2.5440000 1.0000000
end
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