/usr/share/ergo/basis/McLean-Chandler-VTZ is in ergo 3.4.0-1.
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 | $Basis = McLean/Chandler VTZ
$Elements supported
$Na Mg Al Si P S Cl Ar
$
$ REFERENCE
$ A.D. MCLEAN AND G.S. CHANDLER, CHEM. PHYS. 72, 5639, (1980)
$
a 11
$ SODIUM (12s,9p) -> [6s,5p]
$ S-TYPE FUNCTIONS
13 6 0
36166.4000000 0.00103200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
5372.5800000 0.00807100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1213.2100000 0.04212900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
339.6230000 0.16978900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
109.5530000 0.51462100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38.7773000 0.37981700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38.7773000 0.00000000 0.37476200 0.00000000 0.00000000 0.00000000 0.00000000
14.5759000 0.00000000 0.57576900 0.00000000 0.00000000 0.00000000 0.00000000
5.2699300 0.00000000 0.11293300 0.00000000 0.00000000 0.00000000 0.00000000
1.8277700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.6199480 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0572400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0240480 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
144.6450000 0.01148500 0.00000000 0.00000000 0.00000000 0.00000000
33.9074000 0.08238300 0.00000000 0.00000000 0.00000000 0.00000000
10.6285000 0.31965800 0.00000000 0.00000000 0.00000000 0.00000000
3.8238900 0.70129500 0.00000000 0.00000000 0.00000000 0.00000000
1.4442900 0.00000000 0.63850600 0.00000000 0.00000000 0.00000000
0.5526210 0.00000000 0.42536500 0.00000000 0.00000000 0.00000000
0.1887200 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0465010 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0162850 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 12
$ MAGNESIUM (12s,9p) -> [6s,5p]
$ S-TYPE FUNCTIONS
13 6 0
43866.5000000 0.00091800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6605.3700000 0.00704700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1513.2600000 0.03594100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
432.3170000 0.14146100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
142.1490000 0.42676400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51.3983000 0.49797500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51.3983000 0.00000000 0.25135500 0.00000000 0.00000000 0.00000000 0.00000000
19.9196000 0.00000000 0.61867100 0.00000000 0.00000000 0.00000000 0.00000000
8.0247400 0.00000000 0.18841700 0.00000000 0.00000000 0.00000000 0.00000000
2.5081700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.8715310 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1081880 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0401300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
193.8540000 0.01018800 0.00000000 0.00000000 0.00000000 0.00000000
45.4420000 0.07536000 0.00000000 0.00000000 0.00000000 0.00000000
14.1864000 0.30741900 0.00000000 0.00000000 0.00000000 0.00000000
5.0575100 0.71757500 0.00000000 0.00000000 0.00000000 0.00000000
1.8886100 0.00000000 0.66733900 0.00000000 0.00000000 0.00000000
0.7226520 0.00000000 0.39464900 0.00000000 0.00000000 0.00000000
0.2364170 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0933580 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0348090 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 13
$ ALUMINUM (12s,9p) -> [6s,5p]
$ S-TYPE FUNCTIONS
13 6 0
54866.4890000 0.00083900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
8211.7665000 0.00652700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1866.1761000 0.03366600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
531.1293400 0.13290200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
175.1179700 0.40126600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
64.0055000 0.53133800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
64.0055000 0.00000000 0.20230500 0.00000000 0.00000000 0.00000000 0.00000000
25.2925070 0.00000000 0.62479000 0.00000000 0.00000000 0.00000000 0.00000000
10.5349100 0.00000000 0.22743900 0.00000000 0.00000000 0.00000000 0.00000000
3.2067110 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.1525550 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1766780 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.6523700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
259.2836200 0.00944800 0.00000000 0.00000000 0.00000000 0.00000000
61.0768700 0.07097400 0.00000000 0.00000000 0.00000000 0.00000000
19.3032370 0.29563600 0.00000000 0.00000000 0.00000000 0.00000000
7.0108820 0.72821900 0.00000000 0.00000000 0.00000000 0.00000000
2.6738650 0.00000000 0.64446700 0.00000000 0.00000000 0.00000000
1.0365960 0.00000000 0.41741300 0.00000000 0.00000000 0.00000000
0.3168190 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1142570 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0413970 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 14
$ SILICON (12s,9p) -> [6s,5p]
$ S-TYPE FUNCTIONS
13 6 0
69379.2300000 0.00075700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
10354.9400000 0.00593200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2333.8796000 0.03108800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
657.1429500 0.12496700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
214.3011300 0.38689700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
77.6291680 0.55488800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
77.6291680 0.00000000 0.17788100 0.00000000 0.00000000 0.00000000 0.00000000
30.6308070 0.00000000 0.62776500 0.00000000 0.00000000 0.00000000 0.00000000
12.8012950 0.00000000 0.24762300 0.00000000 0.00000000 0.00000000 0.00000000
3.9268660 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.4523430 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2562340 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0942790 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
335.4831900 0.00886600 0.00000000 0.00000000 0.00000000 0.00000000
78.9003660 0.06829900 0.00000000 0.00000000 0.00000000 0.00000000
24.9881500 0.29095800 0.00000000 0.00000000 0.00000000 0.00000000
9.2197110 0.73211700 0.00000000 0.00000000 0.00000000 0.00000000
3.6211400 0.00000000 0.61987900 0.00000000 0.00000000 0.00000000
1.4513100 0.00000000 0.43914800 0.00000000 0.00000000 0.00000000
0.5049770 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1863170 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0654320 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 15
$ PHOSPHORUS (12s,9p) -> [6s,5p]
$ S-TYPE FUNCTIONS
13 6 0
77492.4000000 0.00078100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
11605.8000000 0.00606800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2645.9600000 0.03116000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
754.9800000 0.12343100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
248.7550000 0.37820900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
91.1565000 0.56326200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
91.1565000 0.00000000 0.16025500 0.00000000 0.00000000 0.00000000 0.00000000
36.2257000 0.00000000 0.62764700 0.00000000 0.00000000 0.00000000 0.00000000
15.2113000 0.00000000 0.26384900 0.00000000 0.00000000 0.00000000 0.00000000
4.7941700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.8079300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3568160 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1147830 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
384.8430000 0.00920600 0.00000000 0.00000000 0.00000000 0.00000000
90.5521000 0.06987400 0.00000000 0.00000000 0.00000000 0.00000000
29.1339000 0.29247000 0.00000000 0.00000000 0.00000000 0.00000000
10.8862000 0.72810300 0.00000000 0.00000000 0.00000000 0.00000000
4.3525900 0.00000000 0.62834900 0.00000000 0.00000000 0.00000000
1.7770600 0.00000000 0.42804400 0.00000000 0.00000000 0.00000000
0.6970050 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2535320 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0684930 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 16
$ SULFUR (12s,9p) -> [6s,5p]
$ S-TYPE FUNCTIONS
13 6 0
93413.4000000 0.00074300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13961.7000000 0.00579300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3169.9100000 0.02995400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
902.4560000 0.11902800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
297.1580000 0.36843200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
108.7020000 0.57729900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
108.7020000 0.00000000 0.14318600 0.00000000 0.00000000 0.00000000 0.00000000
43.1553000 0.00000000 0.62446500 0.00000000 0.00000000 0.00000000 0.00000000
18.1079000 0.00000000 0.28336600 0.00000000 0.00000000 0.00000000 0.00000000
5.5600900 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.1318300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.4204030 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1360450 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
495.0400000 0.00830900 0.00000000 0.00000000 0.00000000 0.00000000
117.2210000 0.06402400 0.00000000 0.00000000 0.00000000 0.00000000
37.7749000 0.27761400 0.00000000 0.00000000 0.00000000 0.00000000
14.0584000 0.74507600 0.00000000 0.00000000 0.00000000 0.00000000
5.5657400 0.00000000 0.61371200 0.00000000 0.00000000 0.00000000
2.2629700 0.00000000 0.44381800 0.00000000 0.00000000 0.00000000
0.8079940 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2774600 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0771410 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 17
$ CHLORINE (12s,9p) -> [6s,5p]
$ S-TYPE FUNCTIONS
13 6 0
105819.0000000 0.00073800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
15872.0000000 0.00571800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3619.6500000 0.02949500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1030.8000000 0.11728600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
339.9080000 0.36294900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
124.5380000 0.58414900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
124.5380000 0.00000000 0.13417700 0.00000000 0.00000000 0.00000000 0.00000000
49.5135000 0.00000000 0.62425000 0.00000000 0.00000000 0.00000000 0.00000000
20.8056000 0.00000000 0.29175600 0.00000000 0.00000000 0.00000000 0.00000000
6.5834600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.5646800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.5597630 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1832730 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
10 5 0
589.7760000 0.00239100 0.00000000 0.00000000 0.00000000 0.00000000
139.8490000 0.01850400 0.00000000 0.00000000 0.00000000 0.00000000
45.1413000 0.08137700 0.00000000 0.00000000 0.00000000 0.00000000
16.8733000 0.22155200 0.00000000 0.00000000 0.00000000 0.00000000
6.7411000 0.77256900 0.00000000 0.00000000 0.00000000 0.00000000
6.7411000 0.00000000 -1.57224400 0.00000000 0.00000000 0.00000000
2.7715200 0.00000000 0.99238900 0.00000000 0.00000000 0.00000000
1.0238700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3813680 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1094370 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 18
$ ARGON (12s,9p) -> [6s,5p]
$ S-TYPE FUNCTIONS
13 6 0
118022.3800000 0.00074700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17683.5410000 0.00579000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4027.7657000 0.02991900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1145.3977000 0.11920600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
377.1637500 0.36902800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
138.1596900 0.57645900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
138.1596900 0.00000000 0.14392700 0.00000000 0.00000000 0.00000000 0.00000000
54.9891170 0.00000000 0.62293800 0.00000000 0.00000000 0.00000000 0.00000000
23.1706670 0.00000000 0.28396400 0.00000000 0.00000000 0.00000000 0.00000000
7.3778600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.9236880 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.6504050 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.2328250 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
10 5 0
663.0620100 0.00308200 0.00000000 0.00000000 0.00000000 0.00000000
157.0928100 0.02416500 0.00000000 0.00000000 0.00000000 0.00000000
50.2311000 0.10822300 0.00000000 0.00000000 0.00000000 0.00000000
18.6353450 0.29419200 0.00000000 0.00000000 0.00000000 0.00000000
7.4465370 0.68786200 0.00000000 0.00000000 0.00000000 0.00000000
7.4465370 0.00000000 -0.12144820 0.00000000 0.00000000 0.00000000
3.0956980 0.00000000 0.16323700 0.00000000 0.00000000 0.00000000
1.1064630 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.4156010 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1454490 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
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