/usr/share/nwchem/libraries/d-aug-cc-pvqz is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
# He : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).
# Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
# Na - Mg: D.E. Woon and T.H. Dunning, Jr. (to be published)
# Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
# Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
# Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys, 123, 064107 (2005)
# Ga - Kr: A.K. Wilson, D.E. Woon, K.A. Peterson, T.H. Dunning, Jr. J. Chem. Phys., 110, 7667 (1999)
#
# Elements References
# -------- ---------
# H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
# He : D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
# B - F: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96,
# 6796 (1992).
# Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
# Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys, 123, 064107 (2005)
#
# Elements References
# -------- ---------
# H - He: D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
# B - F:
# Al - Cl:
#
basis "H_d-aug-cc-pVQZ" SPHERICAL
H S
82.6400000 0.0020060
12.4100000 0.0153430
2.8240000 0.0755790
H S
0.7977000 1.0000000
H S
0.2581000 1.0000000
H S
0.0898900 1.0000000
H S
0.0236300 1.0000000
H S
0.0062100 1.0000000
H P
2.2920000 1.0000000
H P
0.8380000 1.0000000
H P
0.2920000 1.0000000
H P
0.0848000 1.0000000
H P
0.0246000 1.0000000
H D
2.0620000 1.0000000
H D
0.6620000 1.0000000
H D
0.1900000 1.0000000
H D
0.0545000 1.0000000
H F
1.3970000 1.0000000
H F
0.3600000 1.0000000
H F
0.0928000 1.0000000
end
basis "He_d-aug-cc-pVQZ" SPHERICAL
He S
528.5000000 0.0009400
79.3100000 0.0072140
18.0500000 0.0359750
5.0850000 0.1277820
He S
1.6090000 1.0000000
He S
0.5363000 1.0000000
He S
0.1833000 1.0000000
He S
0.0481900 1.0000000
He S
0.0127000 1.0000000
He P
5.9940000 1.0000000
He P
1.7450000 1.0000000
He P
0.5600000 1.0000000
He P
0.1626000 1.0000000
He P
0.0472000 1.0000000
He D
4.2990000 1.0000000
He D
1.2230000 1.0000000
He D
0.3510000 1.0000000
He D
0.1010000 1.0000000
He F
2.6800000 1.0000000
He F
0.6906000 1.0000000
He F
0.1780000 1.0000000
end
basis "B_d-aug-cc-pVQZ" SPHERICAL
B S
23870.0000000 0.0000880 -0.0000180
3575.0000000 0.0006870 -0.0001390
812.8000000 0.0036000 -0.0007250
229.7000000 0.0149490 -0.0030630
74.6900000 0.0514350 -0.0105810
26.8100000 0.1433020 -0.0313650
10.3200000 0.3009350 -0.0710120
4.1780000 0.4035260 -0.1321030
1.7270000 0.2253400 -0.1230720
B S
0.4704000 1.0000000
B S
0.1896000 1.0000000
B S
0.0739400 1.0000000
B S
0.0272100 1.0000000
B S
0.0100000 1.0000000
B P
22.2600000 0.0050950
5.0580000 0.0332060
1.4870000 0.1323140
B P
0.5071000 1.0000000
B P
0.1812000 1.0000000
B P
0.0646300 1.0000000
B P
0.0187800 1.0000000
B P
0.0054600 1.0000000
B D
1.1100000 1.0000000
B D
0.4020000 1.0000000
B D
0.1450000 1.0000000
B D
0.0466000 1.0000000
B D
0.0150000 1.0000000
B F
0.8820000 1.0000000
B F
0.3110000 1.0000000
B F
0.1130000 1.0000000
B F
0.0411000 1.0000000
B G
0.6730000 1.0000000
B G
0.2730000 1.0000000
B G
0.1110000 1.0000000
end
basis "C_d-aug-cc-pVQZ" SPHERICAL
C S
33980.0000000 0.0000910 -0.0000190
5089.0000000 0.0007040 -0.0001510
1157.0000000 0.0036930 -0.0007850
326.6000000 0.0153600 -0.0033240
106.1000000 0.0529290 -0.0115120
38.1100000 0.1470430 -0.0341600
14.7500000 0.3056310 -0.0771730
6.0350000 0.3993450 -0.1414930
2.5300000 0.2170510 -0.1180190
C S
0.7355000 1.0000000
C S
0.2905000 1.0000000
C S
0.1111000 1.0000000
C S
0.0414500 1.0000000
C S
0.0155000 1.0000000
C P
34.5100000 0.0053780
7.9150000 0.0361320
2.3680000 0.1424930
C P
0.8132000 1.0000000
C P
0.2890000 1.0000000
C P
0.1007000 1.0000000
C P
0.0321800 1.0000000
C P
0.0103000 1.0000000
C D
1.8480000 1.0000000
C D
0.6490000 1.0000000
C D
0.2280000 1.0000000
C D
0.0766000 1.0000000
C D
0.0257000 1.0000000
C F
1.4190000 1.0000000
C F
0.4850000 1.0000000
C F
0.1870000 1.0000000
C F
0.0721000 1.0000000
C G
1.0110000 1.0000000
C G
0.4240000 1.0000000
C G
0.1780000 1.0000000
end
basis "N_d-aug-cc-pVQZ" SPHERICAL
N S
45840.0000000 0.0000920 -0.0000200
6868.0000000 0.0007170 -0.0001590
1563.0000000 0.0037490 -0.0008240
442.4000000 0.0155320 -0.0034780
144.3000000 0.0531460 -0.0119660
52.1800000 0.1467870 -0.0353880
20.3400000 0.3046630 -0.0800770
8.3810000 0.3976840 -0.1467220
3.5290000 0.2176410 -0.1163600
N S
1.0540000 1.0000000
N S
0.4118000 1.0000000
N S
0.1552000 1.0000000
N S
0.0546400 1.0000000
N S
0.0192000 1.0000000
N P
49.3300000 0.0055330
11.3700000 0.0379620
3.4350000 0.1490280
N P
1.1820000 1.0000000
N P
0.4173000 1.0000000
N P
0.1428000 1.0000000
N P
0.0440200 1.0000000
N P
0.0136000 1.0000000
N D
2.8370000 1.0000000
N D
0.9680000 1.0000000
N D
0.3350000 1.0000000
N D
0.1110000 1.0000000
N D
0.0368000 1.0000000
N F
2.0270000 1.0000000
N F
0.6850000 1.0000000
N F
0.2450000 1.0000000
N F
0.0876000 1.0000000
N G
1.4270000 1.0000000
N G
0.5590000 1.0000000
N G
0.2190000 1.0000000
end
basis "O_d-aug-cc-pVQZ" SPHERICAL
O S
61420.0000000 0.0000900 -0.0000200
9199.0000000 0.0006980 -0.0001590
2091.0000000 0.0036640 -0.0008290
590.9000000 0.0152180 -0.0035080
192.3000000 0.0524230 -0.0121560
69.3200000 0.1459210 -0.0362610
26.9700000 0.3052580 -0.0829920
11.1000000 0.3985080 -0.1520900
4.6820000 0.2169800 -0.1153310
O S
1.4280000 1.0000000
O S
0.5547000 1.0000000
O S
0.2067000 1.0000000
O S
0.0695900 1.0000000
O S
0.0234000 1.0000000
O P
63.4200000 0.0060440
14.6600000 0.0417990
4.4590000 0.1611430
O P
1.5310000 1.0000000
O P
0.5302000 1.0000000
O P
0.1750000 1.0000000
O P
0.0534800 1.0000000
O P
0.0163000 1.0000000
O D
3.7750000 1.0000000
O D
1.3000000 1.0000000
O D
0.4440000 1.0000000
O D
0.1540000 1.0000000
O D
0.0534000 1.0000000
O F
2.6660000 1.0000000
O F
0.8590000 1.0000000
O F
0.3240000 1.0000000
O F
0.1220000 1.0000000
O G
1.8460000 1.0000000
O G
0.7140000 1.0000000
O G
0.2760000 1.0000000
end
basis "F_d-aug-cc-pVQZ" SPHERICAL
F S
74530.0000000 0.0000950 -0.0000220
11170.0000000 0.0007380 -0.0001720
2543.0000000 0.0038580 -0.0008910
721.0000000 0.0159260 -0.0037480
235.9000000 0.0542890 -0.0128620
85.6000000 0.1495130 -0.0380610
33.5500000 0.3082520 -0.0862390
13.9300000 0.3948530 -0.1558650
5.9150000 0.2110310 -0.1109140
F S
1.8430000 1.0000000
F S
0.7124000 1.0000000
F S
0.2637000 1.0000000
F S
0.0859400 1.0000000
F S
0.0280000 1.0000000
F P
80.3900000 0.0063470
18.6300000 0.0442040
5.6940000 0.1685140
F P
1.9530000 1.0000000
F P
0.6702000 1.0000000
F P
0.2166000 1.0000000
F P
0.0656800 1.0000000
F P
0.0199000 1.0000000
F D
5.0140000 1.0000000
F D
1.7250000 1.0000000
F D
0.5860000 1.0000000
F D
0.2070000 1.0000000
F D
0.0731000 1.0000000
F F
3.5620000 1.0000000
F F
1.1480000 1.0000000
F F
0.4600000 1.0000000
F F
0.1840000 1.0000000
F G
2.3760000 1.0000000
F G
0.9240000 1.0000000
F G
0.3590000 1.0000000
end
basis "Ne_d-aug-cc-pVQZ" SPHERICAL
Ne S
99920.0000000 0.0000860 -0.0000200
14960.0000000 0.0006690 -0.0001580
3399.0000000 0.0035180 -0.0008240
958.9000000 0.0146670 -0.0035000
311.2000000 0.0509620 -0.0122330
111.7000000 0.1437440 -0.0370170
43.3200000 0.3045620 -0.0861130
17.8000000 0.4001050 -0.1583810
7.5030000 0.2186440 -0.1142880
Ne S
2.3370000 1.0000000
Ne S
0.9001000 1.0000000
Ne S
0.3301000 1.0000000
Ne S
0.1054000 1.0000000
Ne S
0.0337000 1.0000000
Ne P
99.6800000 0.0065660
23.1500000 0.0459790
7.1080000 0.1734190
Ne P
2.4410000 1.0000000
Ne P
0.8339000 1.0000000
Ne P
0.2662000 1.0000000
Ne P
0.0817800 1.0000000
Ne P
0.0251000 1.0000000
Ne D
6.4710000 1.0000000
Ne D
2.2130000 1.0000000
Ne D
0.7470000 1.0000000
Ne D
0.2730000 1.0000000
Ne D
0.0998000 1.0000000
Ne F
4.6570000 1.0000000
Ne F
1.5240000 1.0000000
Ne F
0.6890000 1.0000000
Ne F
0.3110000 1.0000000
Ne G
2.9830000 1.0000000
Ne G
1.2240000 1.0000000
Ne G
0.5020000 1.0000000
end
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