/usr/share/nwchem/libraries/lanl2-5s4p4d2f 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.
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 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 | # Lanl2-[5s4p4d2f] EMSL Basis Set Exchange Library 3/15/13 10:18 AM
# Elements References
# -------- ----------
# Rh: Otello M. Roscioni, Edmond P. F. Lee, John M. Dyke, Development and testing of a compact basis set for use in effective core potential calculations on rhodium complexes, Journal of Computational Chemistry 33(26):2049-57 (2012).
#
basis "Rh_Lanl2-[5s4p4d2f]" SPHERICAL
Rh S
327.6800000 -0.0009800
163.8400000 0.0055500
81.9200000 -0.0198300
40.9600000 0.0544400
20.4800000 -0.1562300
10.2400000 0.3511800
5.1200000 -0.6265400
2.5600000 -0.1291100
1.2800000 0.8471200
0.6400000 0.4147500
0.3200000 0.1326400
Rh S
327.6800000 0.0002400
163.8400000 -0.0013300
81.9200000 0.0049000
40.9600000 -0.0136000
20.4800000 0.0412300
10.2400000 -0.0965400
5.1200000 0.2007300
2.5600000 0.0036100
1.2800000 -0.3011100
0.6400000 -0.2436200
0.3200000 -0.0908900
0.1600000 0.2190200
Rh S
0.0793500 1.0000000
Rh S
0.0345000 1.0000000
Rh S
0.0200000 1.0000000
Rh P
163.8400000 0.0004700
81.9200000 -0.0032400
40.9600000 0.0101200
20.4800000 -0.0449000
10.2400000 0.0931000
5.1200000 -0.2412500
2.5600000 0.2057500
1.2800000 0.5400800
0.6400000 0.3505500
Rh P
0.2250000 1.0000000
Rh P
0.0750000 1.0000000
Rh P
0.0240000 1.0000000
Rh D
37.4813370 -0.0003900
20.8229650 -0.0032000
11.5683140 0.0020200
6.4268410 -0.0045700
3.5704672 0.0444700
1.9835929 0.2169900
1.1019961 0.2789200
0.6122200 0.2864500
0.3401222 0.2112500
0.1889568 0.1385000
Rh D
0.5400000 1.0000000
Rh D
0.1800000 1.0000000
Rh D
0.0600000 1.0000000
Rh F
0.5000000 1.0000000
Rh F
0.0800000 1.0000000
end
ASSOCIATED_ECP "lanl2dz_ecp"
# Elements References
# -------- ----------
# Na - Hg: P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985).
# P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 284 (1985).
# P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
#
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