/usr/share/nwchem/libraries/s6-31gs is in nwchem-data 6.3+r1-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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# Elements References
# -------- ----------
# Sc-Zn: M. Swart, M. Güell, J.M. Luis and M. Solà, Spin-state corrected Gaussian-type orbital basis sets, J. Phys. Chem. A 114, 7191?7197 (2010).
#
basis "Sc_s6-31G*" SPHERICAL
Sc S
39088.980000000 0.00180326
5869.792000000 0.01380769
1336.910000000 0.06800396
376.603100000 0.23470990
120.467900000 0.48156900
40.980320000 0.34456520
Sc SP
786.285200000 0.00245186 0.00403953
186.887000000 0.03259579 0.03122570
60.009350000 0.12382420 0.13498330
22.258830000 -0.04359890 0.34247930
8.885149000 -0.61771810 0.46231130
3.609211000 -0.44328230 0.21775240
Sc SP
29.843550000 -0.00258630 -0.00609665
9.542383000 0.07188424 -0.02628884
4.056790000 0.25032600 0.05091001
1.704703000 -0.29910030 0.37980970
0.706234000 -0.74468180 0.51708830
0.279536000 -0.17997760 0.18297720
Sc SP
1.065609000 0.06482978 -0.29384400
0.425933000 0.32537560 0.09235323
0.076320000 -1.17080600 0.98479300
Sc SP
0.029594000 1.00000000 1.00000000
Sc D
11.147010000 0.08747672
2.821043000 0.37956350
0.819620000 0.71803930
Sc D
0.221468000 1.0000000
Sc D
0.060200000 1.0000000
Sc F
0.80000000 1.0000000
end
basis "Ti_s6-31G*" SPHERICAL
Ti S
43152.950000000 0.00179187
6479.571000000 0.01372392
1475.675000000 0.06762830
415.699100000 0.23376420
133.000600000 0.48106960
45.272220000 0.34622800
Ti SP
874.682600000 0.00243101 0.00401768
207.978500000 0.03233027 0.03113966
66.879180000 0.12425200 0.13490770
24.873470000 -0.03903905 0.34316720
9.968441000 -0.61717890 0.46257600
4.063826000 -0.44730970 0.21546030
Ti SP
33.643630000 -0.00294036 -0.00631162
10.875650000 0.07163103 -0.02697638
4.628225000 0.25289150 0.05316847
1.950126000 -0.29664010 0.38455490
0.809452000 -0.74322150 0.51276620
0.320474000 -0.18535200 0.18111350
Ti SP
1.224148000 0.06351465 -0.21120700
0.484263000 0.31514040 0.07771998
0.084096000 -1.16259500 0.98982140
Ti SP
0.032036000 1.00000000 1.00000000
Ti D
13.690850000 0.08589418
3.513154000 0.37846710
1.040434000 0.71612390
Ti D
0.286962000 1.0000000
Ti D
0.079310000 1.0000000
Ti F
0.80000000 1.0000000
end
basis "V_s6-31G*" SPHERICAL
V S
47354.330000000 0.00178451
7110.787000000 0.01366754
1619.591000000 0.06736122
456.337900000 0.23305520
146.060600000 0.48063160
49.757910000 0.34748020
V SP
968.148400000 0.00241060 0.00399500
230.282100000 0.03207243 0.03104061
74.145910000 0.12459420 0.13477470
27.641070000 -0.03482177 0.34372790
11.114750000 -0.61673740 0.46287590
4.543113000 -0.45098440 0.21355470
V SP
37.640500000 -0.00323320 -0.00649406
12.282380000 0.07130744 -0.02753453
5.233366000 0.25438200 0.05516284
2.208950000 -0.29338870 0.38796720
0.917880000 -0.74156950 0.50902580
0.363412000 -0.19094100 0.18038400
V SP
1.392781000 0.06139703 -0.18912650
0.543913000 0.30611300 0.08005453
0.091476000 -1.15489000 0.98773990
V SP
0.034312000 1.00000000 1.00000000
V D
16.050250000 0.08599899
4.160063000 0.38029960
1.243265000 0.71276590
V D
0.344277000 1.0000000
V D
0.096060000 1.0000000
V F
0.80000000 1.0000000
end
basis "Cr_s6-31G*" SPHERICAL
Cr S
51789.810000000 0.00177618
7776.849000000 0.01360476
1771.385000000 0.06706925
499.158800000 0.23231040
159.798200000 0.48024100
54.470210000 0.34876530
Cr SP
1064.328000000 0.00239967 0.00398700
253.213800000 0.03194886 0.03104662
81.609240000 0.12508680 0.13505180
30.481930000 -0.03221866 0.34488650
12.294390000 -0.61722840 0.46285710
5.037722000 -0.45259360 0.21104260
Cr SP
41.562910000 -0.00345422 -0.00672250
13.676270000 0.07218428 -0.02806471
5.844390000 0.25448200 0.05820028
2.471609000 -0.29345340 0.39169880
1.028308000 -0.73854550 0.50478230
0.407250000 -0.19471570 0.17902900
Cr SP
1.571464000 0.05892219 -0.19301000
0.605580000 0.29760550 0.09605620
0.098561000 -1.14750600 0.98176090
Cr SP
0.036459000 1.00000000 1.00000000
Cr D
18.419300000 0.08650816
4.812661000 0.38266990
1.446447000 0.70937720
Cr D
0.400413000 1.0000000
Cr D
0.112480000 1.0000000
Cr F
0.80000000 1.0000000
end
basis "Mn_s6-31G*" SPHERICAL
Mn S
56347.140000000 0.00177158
8460.943000000 0.01357081
1927.325000000 0.06690605
543.234300000 0.23185410
173.990500000 0.47990460
59.360050000 0.34957370
Mn SP
1165.412000000 0.00238875 0.00397732
277.327600000 0.03181708 0.03103112
89.472780000 0.12546700 0.13518940
33.482560000 -0.02955431 0.34573870
13.540370000 -0.61751600 0.46292050
5.557972000 -0.45444580 0.20905920
Mn SP
45.835320000 -0.00366586 -0.00688758
15.187770000 0.07231971 -0.02846816
6.500710000 0.25444860 0.06031832
2.751583000 -0.29103800 0.39389610
1.145404000 -0.73598600 0.50137690
0.453687000 -0.19976170 0.17922640
Mn SP
1.757999000 0.05628572 -0.50350240
0.667022000 0.28974910 0.23450110
0.105129000 -1.14065300 0.91412570
Mn SP
0.038418000 1.00000000 1.00000000
Mn D
20.943550000 0.08672702
5.510486000 0.38418830
1.665038000 0.70690710
Mn D
0.461733000 1.0000000
Mn D
0.130500000 1.0000000
Mn F
0.80000000 1.0000000
end
basis "Fe_s6-31G*" SPHERICAL
Fe S
61132.620000000 0.00176611
9179.342000000 0.01353038
2090.857000000 0.06673128
589.247900000 0.23148230
188.754300000 0.47970580
64.446290000 0.35019760
Fe SP
1259.980000000 0.00243801 0.00402802
299.876100000 0.03224048 0.03144647
96.849170000 0.12657240 0.13683170
36.310200000 -0.03139902 0.34872360
14.729960000 -0.62075930 0.46179310
6.066075000 -0.45029140 0.20430580
Fe SP
50.434850000 -0.00387326 -0.00701713
16.839290000 0.07196598 -0.02877660
7.192086000 0.25565910 0.06181383
3.053420000 -0.28828370 0.39549460
1.273643000 -0.73428220 0.49890590
0.504091000 -0.20493530 0.17912510
Fe SP
1.950316000 0.05694869 -0.45937960
0.736721000 0.28829150 0.28521390
0.114177000 -1.13815900 0.90764850
Fe SP
0.041148000 1.00000000 1.00000000
Fe D
23.149940000 0.08876935
6.122368000 0.38963190
1.846601000 0.70148160
Fe D
0.504361000 1.0000000
Fe D
0.142750000 1.0000000
Fe F
0.80000000 1.0000000
end
basis "Co_s6-31G*" SPHERICAL
Co S
66148.990000000 0.00175979
9933.077000000 0.01348162
2262.816000000 0.06649342
637.915400000 0.23079390
204.412200000 0.47929190
69.825380000 0.35140970
Co SP
1378.841000000 0.00237628 0.00397149
328.269400000 0.03167450 0.03108174
106.094600000 0.12628880 0.13574390
39.832750000 -0.02584552 0.34768270
16.186220000 -0.61834910 0.46263400
6.667788000 -0.45670080 0.20516320
Co SP
54.523550000 -0.00399300 -0.00729077
18.297830000 0.07409663 -0.02926027
7.867348000 0.25420000 0.06564150
3.340534000 -0.29216570 0.40006520
1.393756000 -0.73187030 0.49502360
0.551326000 -0.20407840 0.17582400
Co SP
2.151947000 0.05379843 -0.21654960
0.811063000 0.27599710 0.12404880
0.121017000 -1.12969200 0.97240640
Co SP
0.043037000 1.00000000 1.00000000
Co D
25.593060000 0.09004748
6.800990000 0.39317030
2.051647000 0.69768440
Co D
0.555671000 1.0000000
Co D
0.157650000 1.0000000
Co F
0.80000000 1.0000000
end
basis "Ni_s6-31G*" SPHERICAL
Ni S
71396.350000000 0.00175300
10720.840000000 0.01343122
2442.129000000 0.06627041
688.426500000 0.23025080
220.615300000 0.47901860
75.393730000 0.35234440
Ni SP
1492.532000000 0.00237071 0.00396755
355.401300000 0.03160566 0.03109479
114.953400000 0.12663350 0.13595170
43.220430000 -0.02417037 0.34851360
17.597100000 -0.61877750 0.46254980
7.257765000 -0.45767700 0.20351860
Ni SP
59.352610000 -0.00416200 -0.00742145
20.021810000 0.07425111 -0.02953410
8.614561000 0.25413600 0.06731852
3.660531000 -0.29034770 0.40166600
1.528111000 -0.73021210 0.49266230
0.604057000 -0.20760570 0.17568930
Ni SP
2.379276000 0.05157888 -0.18876630
0.885839000 0.27076110 0.10151990
0.128529000 -1.12477000 0.97909060
Ni SP
0.045195000 1.00000000 1.00000000
Ni D
28.191470000 0.09098881
7.523584000 0.39582080
2.271228000 0.69471540
Ni D
0.611603000 1.0000000
Ni D
0.173930000 1.0000000
Ni F
0.80000000 1.0000000
end
basis "Cu_s6-31G*" SPHERICAL
Cu S
76794.380000000 0.00174816
11530.700000000 0.01339602
2626.575000000 0.06610885
740.490300000 0.22982650
237.352800000 0.47876750
81.158180000 0.35307390
Cu SP
1610.814000000 0.00236405 0.00396331
383.636700000 0.03153635 0.03110223
124.173300000 0.12694520 0.13613500
46.746780000 -0.02262840 0.34929140
19.065690000 -0.61920800 0.46247800
7.871567000 -0.45853930 0.20201020
Cu SP
64.457320000 -0.00433108 -0.00752373
21.852120000 0.07412307 -0.02975687
9.405343000 0.25421080 0.06849654
3.999168000 -0.28748430 0.40271410
1.670297000 -0.72914360 0.49084900
0.659627000 -0.21139510 0.17592680
Cu SP
2.600088000 0.05027577 -0.17029110
0.963094000 0.26500400 0.09310133
0.136161000 -1.12015500 0.98143360
Cu SP
0.047332000 1.00000000 1.00000000
Cu D
30.853410000 0.09199905
8.264985000 0.39850210
2.495332000 0.69178970
Cu D
0.667658000 1.0000000
Cu D
0.190210000 1.0000000
Cu F
0.80000000 1.0000000
end
basis "Zn_s6-31G*" SPHERICAL
Zn S
82400.940000000 0.00174333
12372.550000000 0.01335966
2818.351000000 0.06594365
794.571700000 0.22941510
254.723200000 0.47854530
87.138800000 0.35377530
Zn SP
1732.569000000 0.00236146 0.00396313
412.714900000 0.03150177 0.03113411
133.678000000 0.12727740 0.13639310
50.385850000 -0.02145928 0.35012660
20.583580000 -0.61976520 0.46231790
8.505940000 -0.45901800 0.20049950
Zn SP
69.364920000 -0.00444010 -0.00768926
23.620820000 0.07505253 -0.02997982
10.184710000 0.25331110 0.07082411
4.334082000 -0.28818970 0.40461410
1.810918000 -0.72670520 0.48823250
0.714841000 -0.21334390 0.17519700
Zn SP
2.823842000 0.04898543 -0.15867630
1.039543000 0.25927930 0.08379327
0.143264000 -1.11571100 0.98405470
Zn SP
0.049296000 1.00000000 1.00000000
Zn D
33.707640000 0.09262648
9.061106000 0.40029800
2.738383000 0.68966080
Zn D
0.730294000 1.0000000
Zn D
0.208510000 1.0000000
Zn F
0.80000000 1.0000000
end
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