/usr/share/nwchem/libraries/aug-mcc-pvqz is in nwchem-data 6.3+r1-1build1.
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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 | # aug-mcc-pVQZ EMSL Basis Set Exchange Library 3/15/13 10:17 AM
# Elements References
# -------- ---------
# H : S.L. Mielke, B.C. Garrett and K.A. Peterson, J. Chem. Phys. 111, 3806
# (1999).
#
basis "H_aug-mcc-pVQZ" SPHERICAL
H S
82.6400000 0.0020060
12.4100000 0.0153430
2.8240000 0.0755790
0.7977000 0.2568750
0.2581000 0.4973680
0.0898900 0.2961330
H S
0.7382000 1.0000000
H S
0.2541000 1.0000000
H S
0.0875000 1.0000000
H S
0.0197000 1.0000000
H P
2.6514000 1.0000000
H P
0.8776000 1.0000000
H P
0.2905000 1.0000000
H P
0.0828000 1.0000000
H D
2.0210000 1.0000000
H D
0.6644000 1.0000000
H D
0.1875000 1.0000000
H F
1.4874000 1.0000000
H F
0.3681000 1.0000000
end
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