/usr/share/psi/basis/6-31ppgs.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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!
! 6-31G EMSL Basis Set Exchange Library 8/18/10 12:45 AM
! Elements References
! -------- ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
! Li - Ne: 2257 (1972). Note: Li and B come from J.D. Dill and J.A.
! Pople, J. Chem. Phys. 62, 2921 (1975).
! Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
! D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
! K - Zn: V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys.
! 109, 1223 (1998)
! Note: He and Ne are unpublished basis sets taken from the Gaussian
! program
!
!
! 6-31G** Polarization EMSL Basis Set Exchange Library 8/18/10 12:30 AM
! Elements References
! -------- ----------
! H,Li - Ne: P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
! Na - Ar : M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J.
! DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982).
! K - Zn: V.A. Rassolov, J.A. Pople, M.A. Ratner, and T.L. Windus
! J. Chem. Phys. 109, 1223 (1998)
! Note: He and Ne are unpublished basis sets taken from Gaussian.
!
!
! merged from 6-31g.gbs and polarization-631g-_d_.gbs at Thu, 14:38 Aug 19, 2010
!
!
! Pople-style Diffuse EMSL Basis Set Exchange Library 8/18/10 12:32 AM
! Elements Reference
! -------- ----------
! H, Li-Cl: T. Clark, J. Chandrasekhar, G.W. Spitznagel, P.V.R. Schleyer,
! J. Comp. Chem. 4, 294 (1983).
!
!
! merged from 6-31g_d_.gbs and diffuse-pople-pp.gbs at Thu, 14:41 Aug 19, 2010
!
****
H 0
S 3 1.00
18.7311370 0.03349460
2.8253937 0.23472695
0.6401217 0.81375733
S 1 1.00
0.1612778 1.0000000
S 1 1.00
0.0360000 1.0000000
****
Li 0
S 6 1.00
642.4189200 0.0021426
96.7985150 0.0162089
22.0911210 0.0773156
6.2010703 0.2457860
1.9351177 0.4701890
0.6367358 0.3454708
SP 3 1.00
2.3249184 -0.0350917 0.0089415
0.6324306 -0.1912328 0.1410095
0.0790534 1.0839878 0.9453637
SP 1 1.00
0.0359620 1.0000000 1.0000000
D 1 1.00
0.2000000 1.0000000
SP 1 1.00
0.0074000 1.0000000 1.0000000
****
Be 0
S 6 1.00
1264.5857000 0.0019448
189.9368100 0.0148351
43.1590890 0.0720906
12.0986630 0.2371542
3.8063232 0.4691987
1.2728903 0.3565202
SP 3 1.00
3.1964631 -0.1126487 0.0559802
0.7478133 -0.2295064 0.2615506
0.2199663 1.1869167 0.7939723
SP 1 1.00
0.0823099 1.0000000 1.0000000
D 1 1.00
0.4000000 1.0000000
SP 1 1.00
0.0207000 1.0000000 1.0000000
****
B 0
S 6 1.00
2068.8823000 0.0018663
310.6495700 0.0142515
70.6830330 0.0695516
19.8610800 0.2325729
6.2993048 0.4670787
2.1270270 0.3634314
SP 3 1.00
4.7279710 -0.1303938 0.0745976
1.1903377 -0.1307889 0.3078467
0.3594117 1.1309444 0.7434568
SP 1 1.00
0.1267512 1.0000000 1.0000000
D 1 1.00
0.6000000 1.0000000
SP 1 1.00
0.0315000 1.0000000 1.0000000
****
C 0
S 6 1.00
3047.5249000 0.0018347
457.3695100 0.0140373
103.9486900 0.0688426
29.2101550 0.2321844
9.2866630 0.4679413
3.1639270 0.3623120
SP 3 1.00
7.8682724 -0.1193324 0.0689991
1.8812885 -0.1608542 0.3164240
0.5442493 1.1434564 0.7443083
SP 1 1.00
0.1687144 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
SP 1 1.00
0.0438000 1.0000000 1.0000000
****
N 0
S 6 1.00
4173.5110000 0.0018348
627.4579000 0.0139950
142.9021000 0.0685870
40.2343300 0.2322410
12.8202100 0.4690700
4.3904370 0.3604550
SP 3 1.00
11.6263580 -0.1149610 0.0675800
2.7162800 -0.1691180 0.3239070
0.7722180 1.1458520 0.7408950
SP 1 1.00
0.2120313 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
SP 1 1.00
0.0639000 1.0000000 1.0000000
****
O 0
S 6 1.00
5484.6717000 0.0018311
825.2349500 0.0139501
188.0469600 0.0684451
52.9645000 0.2327143
16.8975700 0.4701930
5.7996353 0.3585209
SP 3 1.00
15.5396160 -0.1107775 0.0708743
3.5999336 -0.1480263 0.3397528
1.0137618 1.1307670 0.7271586
SP 1 1.00
0.2700058 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
SP 1 1.00
0.0845000 1.0000000 1.0000000
****
F 0
S 6 1.00
7001.7130900 0.0018196169
1051.3660900 0.0139160796
239.2856900 0.0684053245
67.3974453 0.233185760
21.5199573 0.471267439
7.40310130 0.356618546
SP 3 1.00
20.8479528 -0.108506975 0.0716287243
4.80830834 -0.146451658 0.3459121030
1.34406986 1.128688580 0.7224699570
SP 1 1.00
0.358151393 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
SP 1 1.00
0.1076000 1.0000000 1.0000000
****
Ne 0
S 6 1.00
8425.8515300 0.0018843481
1268.5194000 0.0143368994
289.6214140 0.0701096233
81.8590040 0.2373732660
26.2515079 0.4730071260
9.09472051 0.3484012410
SP 3 1.00
26.5321310 -0.107118287 0.0719095885
6.10175501 -0.146163821 0.3495133720
1.69627153 1.127773500 0.7199405120
SP 1 1.00
0.44581870 1.0000000 1.0000000
D 1 1.00
0.8000000 1.0000000
SP 1 1.00
0.1300000 1.0000000 1.0000000
****
Na 0
S 6 1.00
9993.2000000 0.0019377
1499.8900000 0.0148070
341.9510000 0.0727060
94.6797000 0.2526290
29.7345000 0.4932420
10.0063000 0.3131690
SP 6 1.00
150.9630000 -0.0035421 0.0050017
35.5878000 -0.0439590 0.0355110
11.1683000 -0.1097521 0.1428250
3.9020100 0.1873980 0.3386200
1.3817700 0.6466990 0.4515790
0.4663820 0.3060580 0.2732710
SP 3 1.00
0.4979660 -0.2485030 -0.0230230
0.0843530 -0.1317040 0.9503590
0.0666350 1.2335200 0.0598580
SP 1 1.00
0.0259544 1.0000000 1.0000000
D 1 1.00
0.1750000 1.0000000
SP 1 1.00
0.0076000 1.0000000 1.0000000
****
Mg 0
S 6 1.00
11722.8000000 0.0019778
1759.9300000 0.0151140
400.8460000 0.0739110
112.8070000 0.2491910
35.9997000 0.4879280
12.1828000 0.3196620
SP 6 1.00
189.1800000 -0.0032372 0.0049281
45.2119000 -0.0410080 0.0349890
14.3563000 -0.1126000 0.1407250
5.1388600 0.1486330 0.3336420
1.9065200 0.6164970 0.4449400
0.7058870 0.3648290 0.2692540
SP 3 1.00
0.9293400 -0.2122900 -0.0224190
0.2690350 -0.1079850 0.1922700
0.1173790 1.1758400 0.8461810
SP 1 1.00
0.0421061 1.0000000 1.0000000
D 1 1.00
0.1750000 1.0000000
SP 1 1.00
0.0146000 1.0000000 1.0000000
****
Al 0
S 6 1.00
13983.1000000 0.00194267
2098.7500000 0.0148599
477.7050000 0.0728494
134.3600000 0.2468300
42.8709000 0.4872580
14.5189000 0.3234960
SP 6 1.00
239.6680000 -0.00292619 0.00460285
57.4419000 -0.0374080 0.0331990
18.2859000 -0.1144870 0.1362820
6.5991400 0.1156350 0.3304760
2.4904900 0.6125950 0.4491460
0.9445400 0.3937990 0.2657040
SP 3 1.00
1.2779000 -0.2276060 -0.0175130
0.3975900 0.00144583 0.2445330
0.1600950 1.0927900 0.8049340
SP 1 1.00
0.0556577 1.0000000 1.0000000
D 1 1.00
0.3250000 1.0000000
SP 1 1.00
0.0318000 1.0000000 1.0000000
****
Si 0
S 6 1.00
16115.9000000 0.00195948
2425.5800000 0.01492880
553.8670000 0.07284780
156.3400000 0.24613000
50.0683000 0.48591400
17.0178000 0.32500200
SP 6 1.00
292.7180000 -0.00278094 0.00443826
69.8731000 -0.03571460 0.03266790
22.3363000 -0.11498500 0.13472100
8.1503900 0.09356340 0.32867800
3.1345800 0.60301700 0.44964000
1.2254300 0.41895900 0.26137200
SP 3 1.00
1.7273800 -0.24463000 -0.01779510
0.5729220 0.00431572 0.25353900
0.2221920 1.09818000 0.80066900
SP 1 1.00
0.0778369 1.00000000 1.00000000
D 1 1.00
0.4500000 1.0000000
SP 1 1.00
0.0331000 1.0000000 1.0000000
****
P 0
S 6 1.00
19413.3000000 0.0018516
2909.4200000 0.0142062
661.3640000 0.0699995
185.7590000 0.2400790
59.1943000 0.4847620
20.0310000 0.3352000
SP 6 1.00
339.4780000 -0.00278217 0.00456462
81.0101000 -0.0360499 0.03369360
25.8780000 -0.1166310 0.13975500
9.4522100 0.0968328 0.33936200
3.6656600 0.6144180 0.45092100
1.4674600 0.4037980 0.23858600
SP 3 1.00
2.1562300 -0.2529230 -0.01776530
0.7489970 0.0328517 0.27405800
0.2831450 1.0812500 0.78542100
SP 1 1.00
0.0998317 1.0000000 1.00000000
D 1 1.00
0.5500000 1.0000000
SP 1 1.00
0.0348000 1.0000000 1.0000000
****
S 0
S 6 1.00
21917.1000000 0.0018690
3301.4900000 0.0142300
754.1460000 0.0696960
212.7110000 0.2384870
67.9896000 0.4833070
23.0515000 0.3380740
SP 6 1.00
423.7350000 -0.0023767 0.0040610
100.7100000 -0.0316930 0.0306810
32.1599000 -0.1133170 0.1304520
11.8079000 0.0560900 0.3272050
4.6311000 0.5922550 0.4528510
1.8702500 0.4550060 0.2560420
SP 3 1.00
2.6158400 -0.2503740 -0.0145110
0.9221670 0.0669570 0.3102630
0.3412870 1.0545100 0.7544830
SP 1 1.00
0.1171670 1.0000000 1.0000000
D 1 1.00
0.6500000 1.0000000
SP 1 1.00
0.0405000 1.0000000 1.0000000
****
Cl 0
S 6 1.00
25180.1000000 0.0018330
3780.3500000 0.0140340
860.4740000 0.0690970
242.1450000 0.2374520
77.3349000 0.4830340
26.2470000 0.3398560
SP 6 1.00
491.7650000 -0.0022974 0.0039894
116.9840000 -0.0307140 0.0303180
37.4153000 -0.1125280 0.1298800
13.7834000 0.0450160 0.3279510
5.4521500 0.5893530 0.4535270
2.2258800 0.4652060 0.2521540
SP 3 1.00
3.1864900 -0.2518300 -0.0142990
1.1442700 0.0615890 0.3235720
0.4203770 1.0601800 0.7435070
SP 1 1.00
0.1426570 1.0000000 1.0000000
D 1 1.00
0.7500000 1.0000000
SP 1 1.00
0.0483000 1.0000000 1.0000000
****
Ar 0
S 6 1.00
28348.3000000 0.00182526
4257.6200000 0.01396860
969.8570000 0.06870730
273.2630000 0.23620400
87.3695000 0.48221400
29.6867000 0.34204300
SP 6 1.00
575.8910000 -0.00215972 0.00380665
136.8160000 -0.02907750 0.02923050
43.8098000 -0.11082700 0.12646700
16.2094000 0.02769990 0.32351000
6.4608400 0.57761300 0.45489600
2.6511400 0.48868800 0.25663000
SP 3 1.00
3.8602800 -0.2555920 -0.01591970
1.4137300 0.0378066 0.32464600
0.5166460 1.0805600 0.74399000
SP 1 1.00
0.1738880 1.0000000 1.0000000
D 1 1.00
0.8500000 1.0000000
SP 1 1.00
0.0600000 1.0000000 1.0000000
****
K 0
S 6 1.00
31594.4200000 1.828010E-03
4744.3300000 1.399403E-02
1080.4190000 6.887129E-02
304.2338000 2.369760E-01
97.2458600 4.829040E-01
33.0249500 3.404795E-01
SP 6 1.00
622.7625000 -2.502976E-03 4.094637E-03
147.8839000 -3.315550E-02 3.145199E-02
47.3273500 -1.226387E-01 1.351558E-01
17.5149500 5.353643E-02 3.390500E-01
6.9227220 6.193860E-01 4.629455E-01
2.7682770 4.345878E-01 2.242638E-01
SP 6 1.00
11.8480200 1.277689E-02 -1.221377E-02
4.0792110 2.098767E-01 -6.900537E-03
1.7634810 -3.095274E-03 2.007466E-01
0.7889270 -5.593884E-01 4.281332E-01
0.3503870 -5.134760E-01 3.970156E-01
0.1463440 -6.598035E-02 1.104718E-01
SP 3 1.00
0.7168010 -5.237772E-02 0.0316430
0.2337410 -2.798503E-01 -0.0404616
0.0386750 1.141547E+00 1.0120290
SP 1 1.00
0.0165210 1.000000E+00 1.00000000
D 1 1.00
0.2000000 1.0000000
SP 1 1.00
0.0047000 1.0000000 1.0000000
****
Ca 0
S 6 1.00
35264.8600000 1.813501E-03
5295.5030000 1.388493E-02
1206.0200000 6.836162E-02
339.6839000 2.356188E-01
108.6264000 4.820639E-01
36.9210300 3.429819E-01
SP 6 1.00
706.3096000 2.448225E-03 4.020371E-03
167.8187000 3.241504E-02 3.100601E-02
53.8255800 1.226219E-01 1.337279E-01
20.0163800 -4.316965E-02 3.367983E-01
7.9702790 -6.126995E-01 4.631281E-01
3.2120590 -4.487540E-01 2.257532E-01
SP 6 1.00
14.1951800 1.084500E-02 -1.289621E-02
4.8808280 2.088333E-01 -1.025198E-02
2.1603900 3.150338E-02 1.959781E-01
0.9878990 -5.526518E-01 4.357933E-01
0.4495170 -5.437997E-01 3.996452E-01
0.1873870 -6.669342E-02 9.713636E-02
SP 3 1.00
1.0322710 -4.439720E-02 -0.4298621
0.3811710 -3.284563E-01 0.006935829
0.0651310 1.163010E+00 0.9705933
SP 1 1.00
0.0260100 1.000000E+00 1.00000000
D 1 1.00
0.2000000 1.0000000
SP 1 1.00
0.0071000 1.0000000 1.0000000
****
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