/usr/share/nwchem/libraries/pv6z is in nwchem-data 6.3+r1-1build1.
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# Elements References
# -------- ----------
# H: T. H. Dunning, Jr., (to be published).
# C: A.D. Pradhan, H. Partridge and C.W. Bauschlicher, Jr., J. Chem.
# Phys. 101, 3857 (1994) with correction to the p set.
# O: (s,p) set from H. Partridge, (d,f,g) from T.H. Dunning, Jr.,
# (h,i) from D. Feller.
# N: C.W. Bauschlicher, Jr. and H. Partridge, J. Chem. Phys. 100,
# 4329 (1994).
#
basis "H_pV6Z" SPHERICAL
H S
1776.7755600 0.0000440
254.0177120 0.0003720
54.6980390 0.0020940
15.0183440 0.0088630
4.91507800 0.0305400
H S
1.79492400 1.0000000
H S
0.71071600 1.0000000
H S
0.30480200 1.0000000
H S
0.13804600 1.0000000
H S
0.06215700 1.0000000
H P
4.3950000 1.0000000
H P
1.9950000 1.0000000
H P
0.9060000 1.0000000
H P
0.4110000 1.0000000
H P
0.1866000 1.0000000
H D
4.9740000 1.0000000
H D
2.2150000 1.0000000
H D
0.9860000 1.0000000
H D
0.4390000 1.0000000
H F
3.6650000 1.0000000
H F
1.6190000 1.0000000
H F
0.7150000 1.0000000
H G
3.4480000 1.0000000
H G
1.3120000 1.0000000
H H
2.7580000 1.0000000
end
basis "C_pV6Z" SPHERICAL
C S
312229.0000000 0.0000060 0.0000010
46749.6900000 0.0000440 0.0000090
10638.5500000 0.0002320 0.0000490
3013.2870000 0.0009790 0.0002090
983.0464000 0.0035500 0.0007600
354.8877000 0.0114390 0.0024540
138.4034000 0.0330020 0.0072020
57.3618400 0.0839960 0.0187950
24.9283800 0.1806840 0.0432490
11.2296400 0.3049890 0.0826210
5.2015490 0.3412880 0.1285180
C S
2.4265640 1.0000000
C S
0.9673440 1.0000000
C S
0.4455990 1.0000000
C S
0.1971220 1.0000000
C S
0.0863470 1.0000000
C P
478.6415000 0.0000620
113.4184000 0.0005370
36.8162300 0.0029260
13.9649200 0.0115030
5.7807870 0.0357210
2.5435940 0.0931200
C P
1.1737790 1.0000000
C P
0.5536750 1.0000000
C P
0.2621730 1.0000000
C P
0.1236170 1.0000000
C P
0.0566710 1.0000000
C D
5.5584000 1.0000000
C D
2.3160000 1.0000000
C D
0.9650000 1.0000000
C D
0.4020830 1.0000000
C D
0.1675350 1.0000000
C F
2.8629090 1.0000000
C F
1.1928790 1.0000000
C F
0.4970330 1.0000000
C F
0.2070970 1.0000000
C G
3.1260000 1.0000000
C G
1.3400000 1.0000000
C G
0.5583330 1.0000000
C H
1.9055100 1.0000000
C H
0.7939620 1.0000000
C I
1.5090000 1.0000000
end
basis "N_pV6Z" SPHERICAL
N S
432381.1000000 0.0000060 0.0000010
64743.4200000 0.0000430 0.0000100
14733.7000000 0.0002290 0.0000500
4173.2540000 0.0009650 0.0002130
1361.4770000 0.0035000 0.0007750
491.5049000 0.0112840 0.0025040
191.6857000 0.0325990 0.0073620
79.4549900 0.0832300 0.0192860
34.5496800 0.1799300 0.0446990
15.5867300 0.3049550 0.0860480
7.2354440 0.3411590 0.1332490
N S
3.3837390 1.0000000
N S
1.3697280 1.0000000
N S
0.6250890 1.0000000
N S
0.2748190 1.0000000
N S
0.1192090 1.0000000
N P
673.5556000 0.0000640
159.5845000 0.0005620
51.8017000 0.0030850
19.6734300 0.0122980
8.1753450 0.0386250
3.6161310 0.0998150
N P
1.6734140 1.0000000
N P
0.7892460 1.0000000
N P
0.3723390 1.0000000
N P
0.1740380 1.0000000
N P
0.0786810 1.0000000
N D
7.6780800 1.0000000
N D
3.1992000 1.0000000
N D
1.3330000 1.0000000
N D
0.5554170 1.0000000
N D
0.2314240 1.0000000
N F
4.0080730 1.0000000
N F
1.6700300 1.0000000
N F
0.6958460 1.0000000
N F
0.2899360 1.0000000
N G
4.0632000 1.0000000
N G
1.6930000 1.0000000
N G
0.7054170 1.0000000
N H
2.7792530 1.0000000
N H
1.1580220 1.0000000
N I
2.2220000 1.0000000
end
basis "O_pV6Z" SPHERICAL
O S
570979.8000000 0.0000060 -0.0000010
85496.9000000 0.0000430 -0.0000100
19456.6500000 0.0002270 -0.0000510
5511.0300000 0.0009570 -0.0002170
1797.9190000 0.0034720 -0.0007910
649.0677000 0.0111960 -0.0025590
253.1386000 0.0323750 -0.0075300
104.9379000 0.0828350 -0.0197820
45.6503600 0.1796680 -0.0460860
20.6176200 0.3052010 -0.0891890
9.5867590 0.3408890 -0.1375500
O S
4.4925100 1.0000000
O S
1.8369430 1.0000000
O S
0.8348030 1.0000000
O S
0.3657220 1.0000000
O S
0.1570340 1.0000000
O P
525.7638000 0.0001670
124.6306000 0.0014330
40.3430000 0.0075480
15.1783100 0.0286010
6.2450390 0.0843610
O P
2.7326240 1.0000000
O P
1.2272000 1.0000000
O P
0.5491900 1.0000000
O P
0.2417760 1.0000000
O P
0.1025050 1.0000000
O D
7.7002000 1.0000000
O D
3.3625000 1.0000000
O D
1.4684000 1.0000000
O D
0.6412000 1.0000000
O D
0.2800000 1.0000000
O F
6.2537000 1.0000000
O F
2.7084000 1.0000000
O F
1.1729000 1.0000000
O F
0.5080000 1.0000000
O G
5.0017000 1.0000000
O G
2.1158000 1.0000000
O G
0.8950000 1.0000000
O H
4.0207000 1.0000000
O H
1.5530000 1.0000000
O I
2.6000000 1.0000000
end
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