/usr/share/nwchem/libraries/cc-pv9z 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 | # cc-pV9Z EMSL Basis Set Exchange Library 3/15/13 10:19 AM
# Elements References
# -------- ----------
# C - F, S: D. Feller, K.A. Peterson and T.D. Crawford (to be published)
#
basis "Ne_cc-pV9Z" SPHERICAL
Ne S
23015748.0000000 0.96756722E-07 -0.22720964E-07
3406478.0000000 0.76022733E-06 -0.17853772E-06
766405.0000000 0.41194508E-05 -0.96732804E-06
209480.0000000 0.18538108E-04 -0.43539656E-05
65557.0000000 0.71219188E-04 -0.16725280E-04
22993.0000000 0.23862683E-03 -0.56068386E-04
8855.0800000 0.72101492E-03 -0.16947290E-03
3650.9900000 0.20419452E-02 -0.48085599E-03
1573.2200000 0.55616242E-02 -0.13136901E-02
697.0050000 0.014639531 -0.34855166E-02
315.6520000 0.036543265 -0.88381618E-02
146.4430000 0.083450105 -0.020871370
69.7874000 0.166351823 -0.044373979
34.1501000 0.270049550 -0.081942970
Ne S
17.1191000 1.0000000
Ne S
8.7124390 1.0000000
Ne S
4.3897130 1.0000000
Ne S
2.1972220 1.0000000
Ne S
1.0830370 1.0000000
Ne S
0.5339870 1.0000000
Ne S
0.2628700 1.0000000
Ne S
0.1190390 1.0000000
Ne P
11543.6000000 0.17507069E-05
2912.1500000 0.13632768E-04
997.6840000 0.75339633E-04
383.6430000 0.36253157E-03
158.5310000 0.15198830E-02
69.5342000 0.54886444E-02
32.0060000 0.017020535
15.2805000 0.045765537
Ne P
7.5090010 1.0000000
Ne P
3.7621380 1.0000000
Ne P
1.8983760 1.0000000
Ne P
0.9575798 1.0000000
Ne P
0.4820758 1.0000000
Ne P
0.2419713 1.0000000
Ne P
0.1195759 1.0000000
Ne P
0.0485331 1.0000000
Ne D
34.5892700 1.0000000
Ne D
18.0557400 1.0000000
Ne D
9.4251750 1.0000000
Ne D
4.9199810 1.0000000
Ne D
2.5682510 1.0000000
Ne D
1.3406380 1.0000000
Ne D
0.6998190 1.0000000
Ne D
0.3653080 1.0000000
Ne F
19.5670000 1.0000000
Ne F
10.7811600 1.0000000
Ne F
5.9393720 1.0000000
Ne F
3.2720160 1.0000000
Ne F
1.8025620 1.0000000
Ne F
0.9930360 1.0000000
Ne F
0.5470660 1.0000000
Ne G
21.3683600 1.0000000
Ne G
11.4364600 1.0000000
Ne G
6.1208540 1.0000000
Ne G
3.2759130 1.0000000
Ne G
1.7532860 1.0000000
Ne G
0.9383680 1.0000000
Ne H
14.4302300 1.0000000
Ne H
7.8682310 1.0000000
Ne H
4.2902340 1.0000000
Ne H
2.3392940 1.0000000
Ne H
1.2755240 1.0000000
Ne I
14.8201500 1.0000000
Ne I
7.6470650 1.0000000
Ne I
3.9458160 1.0000000
Ne I
2.0360050 1.0000000
Ne K
10.5840000 1.0000000
Ne K
5.0400000 1.0000000
Ne K
2.4000000 1.0000000
Ne L
9.4532250 1.0000000
Ne L
4.4606900 1.0000000
Ne M
6.4900000 1.0000000
end
|