/usr/share/psi/basis/cc-pcvdz-f12.gbs is in psi4-data 1:0.3-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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! cc-pCVDZ-F12 EMSL Basis Set Exchange Library 3/15/11 9:21 AM
! Elements References
! -------- ----------
! B C N O F Ne Al Si P S Cl Ar: J.G. Hill, S. Mazumder, and K.A. Peterson, Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar, Journal of Chemical Physics 132, 054108 (2010).
!
****
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****
He 0
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****
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****
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****
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****
Si 0
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****
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****
Cl 0
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49.9800000 -0.0246938
18.4200000 -0.0728167
7.2400000 -0.1340300
2.9220000 -0.0947742
1.0220000 0.2622890
0.3818000 0.5646670
P 1 1.00
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P 1 1.00
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P 1 1.00
4.8105000 1.0000000
P 1 1.00
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P 1 1.00
2.2487030 1.0000000
D 1 1.00
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D 1 1.00
0.9921000 1.0000000
D 1 1.00
0.3064000 1.0000000
D 1 1.00
23.2468390 1.0000000
****
Ar 0
S 13 1.00
545000.0000000 0.0000456
81640.0000000 0.0003541
18580.0000000 0.0018580
5261.0000000 0.0077685
1717.0000000 0.0274232
619.9000000 0.0823836
241.6000000 0.2012300
99.7900000 0.3567810
43.1500000 0.3495630
19.1400000 0.1182660
7.4880000 0.0056019
3.2050000 0.0004835
0.5204000 0.0000292
S 13 1.00
545000.0000000 -0.0000130
81640.0000000 -0.0001004
18580.0000000 -0.0005296
5261.0000000 -0.0022140
1717.0000000 -0.0079684
619.9000000 -0.0245803
241.6000000 -0.0657798
99.7900000 -0.1379420
43.1500000 -0.2016300
19.1400000 -0.0412834
7.4880000 0.4846800
3.2050000 0.5792240
0.5204000 -0.0072755
S 13 1.00
545000.0000000 0.0000040
81640.0000000 0.0000314
18580.0000000 0.0001656
5261.0000000 0.0006917
1717.0000000 0.0024979
619.9000000 0.0077107
241.6000000 0.0208714
99.7900000 0.0443965
43.1500000 0.0680224
19.1400000 0.0141350
7.4880000 -0.2074890
3.2050000 -0.4250450
0.5204000 0.7336270
S 1 1.00
1.1960000 1.0000000
S 1 1.00
0.1954000 1.0000000
S 1 1.00
0.0685000 1.0000000
S 1 1.00
11.4851250 1.0000000
P 8 1.00
761.8000000 0.0023698
180.2000000 0.0190199
57.5000000 0.0880807
21.2400000 0.2563770
8.3880000 0.4387110
3.4160000 0.3475690
1.2060000 0.0566740
0.4523000 -0.0052388
P 8 1.00
761.8000000 -0.0006672
180.2000000 -0.0053272
57.5000000 -0.0255494
21.2400000 -0.0757197
8.3880000 -0.1411330
3.4160000 -0.0932768
1.2060000 0.2828720
0.4523000 0.5624500
P 1 1.00
0.1545000 1.0000000
P 1 1.00
0.0487000 1.0000000
P 1 1.00
5.4424000 1.0000000
P 1 1.00
0.9664000 1.0000000
P 1 1.00
3.1105410 1.0000000
D 1 1.00
7.8669000 1.0000000
D 1 1.00
1.1969000 1.0000000
D 1 1.00
0.3460000 1.0000000
D 1 1.00
29.1978250 1.0000000
****
|