/usr/share/nwchem/libraries/s3-21g 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.
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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_s3-21G" SPHERICAL
Sc S
2119.887000000 0.06442100
320.429900000 0.37916000
69.898930000 0.67896300
Sc SP
89.764500000 -0.10938400 0.13632800
19.385100000 0.10507000 0.54186000
5.731423000 0.95220500 0.49505500
Sc SP
5.491938000 -0.28521100 0.01761400
1.743742000 0.32415500 0.43364500
0.566227000 0.85659200 0.64255100
Sc SP
0.516802000 -0.26267800 0.00032700
0.067214000 1.10807900 0.99989300
Sc SP
0.025985000 1.00000000 1.00000000
Sc D
5.722215000 0.26523600
1.360849000 0.85586100
Sc D
0.322652000 1.0000000
Sc D
0.076620000 1.0000000
end
basis "Ti_s3-21G" SPHERICAL
Ti S
2335.020000000 0.06421700
353.044100000 0.37841200
77.058450000 0.67968100
Ti SP
99.573870000 -0.10947200 0.13729700
21.546710000 0.10194300 0.54587500
6.413965000 0.95462200 0.48906800
Ti SP
6.238279000 -0.28613700 0.01923700
1.996108000 0.32182800 0.44044200
0.646490000 0.85955100 0.63562000
Ti SP
0.573285000 -0.24245000 0.00029200
0.073119000 1.10007500 0.99990700
Ti SP
0.026538000 1.00000000 1.00000000
Ti D
7.083666000 0.26292100
1.709634000 0.85577200
Ti D
0.414123000 1.0000000
Ti D
0.100130000 1.0000000
end
basis "V_s3-21G" SPHERICAL
V S
2563.877000000 0.06394800
387.534000000 0.37759400
84.598230000 0.68054200
V SP
109.793800000 -0.10983600 0.13842100
23.769210000 0.10070700 0.55048900
7.122961000 0.95563300 0.48241700
V SP
6.981204000 -0.28845900 0.02182100
2.219839000 0.33643600 0.45676200
0.719803000 0.84819000 0.61867500
V SP
0.631262000 -0.23649000 0.00019000
0.080062000 1.09772100 0.99994000
V SP
0.028865000 1.00000000 1.00000000
V D
8.342917000 0.26406200
2.032944000 0.85396600
V D
0.495712000 1.0000000
V D
0.120830000 1.0000000
end
basis "Cr_s3-21G" SPHERICAL
Cr S
2798.294000000 0.06382400
423.137000000 0.37708400
92.438860000 0.68098900
Cr SP
120.280600000 -0.11777900 0.13987800
26.037270000 0.10143100 0.55598300
7.844172000 0.95719800 0.47481800
Cr SP
7.793276000 -0.28885700 0.02218500
2.497196000 0.33511500 0.46162500
0.805142000 0.85024800 0.61453900
Cr SP
0.703921000 -0.23225100 0.00018000
0.086162000 1.09367100 0.99994500
Cr SP
0.032199000 1.00000000 1.00000000
Cr D
9.625339000 0.26559600
2.362264000 0.85215600
Cr D
0.577094000 1.0000000
Cr D
0.141310000 1.0000000
end
basis "Mn_s3-21G" SPHERICAL
Mn S
3041.686000000 0.06374500
460.090100000 0.37674900
100.595800000 0.68124700
Mn SP
131.767300000 -0.11029600 0.14045400
28.569150000 0.09819000 0.55780200
8.660501000 0.95765900 0.47150100
Mn SP
8.569081000 -0.29171400 0.02422400
2.768178000 0.34396300 0.46866000
0.887288000 0.84519800 0.60742100
Mn SP
0.767443000 -0.23000400 0.00030800
0.092025000 1.09145000 0.99990700
Mn SP
0.033265000 1.00000000 1.00000000
Mn D
11.068840000 0.26527200
2.730707000 0.85179500
Mn D
0.668509000 1.0000000
Mn D
0.164290000 1.0000000
end
basis "Fe_s3-21G" SPHERICAL
Fe S
3299.184000000 0.06358600
499.088600000 0.37620200
109.161400000 0.68178500
Fe SP
143.465200000 -0.11055200 0.14110100
31.168580000 0.09684700 0.56038700
9.483612000 0.95879700 0.46764400
Fe SP
9.464565000 -0.29205600 0.02376200
3.100373000 0.33752400 0.46891100
0.986493000 0.85194200 0.60831100
Fe SP
0.853412000 -0.22794400 -0.00042600
0.098812000 1.08828700 1.00012400
Fe SP
0.036442000 1.00000000 1.00000000
Fe D
12.354490000 0.26861100
3.055605000 0.84927200
Fe D
0.738591000 1.0000000
Fe D
0.180600000 1.0000000
end
basis "Co_s3-21G" SPHERICAL
Co S
3564.762000000 0.06348700
539.390800000 0.37581800
118.044900000 0.68212200
Co SP
155.438200000 -0.11098700 0.14206400
33.815610000 0.09676700 0.56344400
10.333230000 0.95899200 0.46302400
Co SP
10.381520000 -0.29226200 0.02631300
3.382714000 0.34325100 0.47691700
1.076954000 0.84696300 0.59915400
Co SP
0.909015000 -0.21746000 0.00022800
0.105041000 1.08499800 0.99993400
Co SP
0.037257000 1.00000000 1.00000000
Co D
13.740700000 0.27095500
3.408983000 0.84734200
Co D
0.818641000 1.0000000
Co D
0.199850000 1.0000000
end
basis "Ni_s3-21G" SPHERICAL
Ni S
3848.005000000 0.06326600
582.030700000 0.37517100
127.367400000 0.68282400
Ni SP
168.289600000 -0.11111500 0.14249000
36.656330000 0.09532400 0.56554700
11.232120000 0.96016100 0.45999300
Ni SP
11.358770000 -0.29206000 0.02613800
3.738846000 0.33754100 0.47659800
1.182463000 0.85253300 0.60038000
Ni SP
0.988904000 -0.21368700 0.00029400
0.111025000 1.08193300 0.99991700
Ni SP
0.039258000 1.00000000 1.00000000
Ni D
15.220690000 0.27260600
3.786020000 0.84592800
Ni D
0.904557000 1.0000000
Ni D
0.220560000 1.0000000
end
basis "Cu_s3-21G" SPHERICAL
Cu S
4134.302000000 0.06318800
625.491200000 0.37484500
136.955600000 0.68310000
Cu SP
181.496000000 -0.11132000 0.14308400
39.574310000 0.09448700 0.56775600
12.162460000 0.96087900 0.45671400
Cu SP
12.351110000 -0.29222300 0.02772700
4.049651000 0.34299100 0.48352400
1.279225000 0.84794600 0.59297800
Cu SP
1.049804000 -0.20650800 0.00013900
0.116933000 1.07927300 0.99996100
Cu SP
0.000751000 1.00000000 1.00000000
Cu D
16.759380000 0.27411200
4.178977000 0.84462500
Cu D
0.994327000 1.0000000
Cu D
0.242260000 1.0000000
end
basis "Zn_s3-21G" SPHERICAL
Zn S
4432.288000000 0.06309300
670.660100000 0.37450400
146.902400000 0.68341600
Zn SP
195.004200000 -0.11162800 0.14380600
42.568890000 0.09433600 0.57000200
13.121430000 0.96110000 0.45331200
Zn SP
13.402310000 -0.29178100 0.02870500
4.399906000 0.34261400 0.48625200
1.385148000 0.84828400 0.59023500
Zn SP
1.121558000 -0.20237100 0.00034400
0.122944000 1.07703500 0.99990500
Zn SP
0.042193000 1.00000000 1.00000000
Zn D
18.368200000 0.27538600
4.591304000 0.84347700
Zn D
1.090203000 1.0000000
Zn D
0.265690000 1.0000000
end
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