/usr/share/nwchem/libraries/d-aug-cc-pv5z is in nwchem-data 6.6+r27746-2.
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The actual contents of the file can be viewed below.
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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 : Unofficial set from D. Feller.
# B - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
# Na - Mg: Unofficial set from D. Feller.
# 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).
# Diffuse s exponent - S. Mielke
# 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-pV5Z" SPHERICAL
H S
402.0000000 0.0002790
60.2400000 0.0021650
13.7300000 0.0112010
3.9050000 0.0448780
H S
1.2830000 1.0000000
H S
0.4655000 1.0000000
H S
0.1811000 1.0000000
H S
0.0727900 1.0000000
H S
0.0207000 1.0000000
H S
0.0058900 1.0000000
H P
4.5160000 1.0000000
H P
1.7120000 1.0000000
H P
0.6490000 1.0000000
H P
0.2460000 1.0000000
H P
0.0744000 1.0000000
H P
0.0225000 1.0000000
H D
2.9500000 1.0000000
H D
1.2060000 1.0000000
H D
0.4930000 1.0000000
H D
0.1560000 1.0000000
H D
0.0494000 1.0000000
H F
2.5060000 1.0000000
H F
0.8750000 1.0000000
H F
0.2740000 1.0000000
H F
0.0858000 1.0000000
H G
2.3580000 1.0000000
H G
0.5430000 1.0000000
H G
0.1250000 1.0000000
end
basis "He_d-aug-cc-pV5Z" SPHERICAL
He S
1145.0000000 0.0003590
171.7000000 0.0027710
39.0700000 0.0142510
11.0400000 0.0555660
He S
3.5660000 1.0000000
He S
1.2400000 1.0000000
He S
0.4473000 1.0000000
He S
0.1640000 1.0000000
He S
0.0466400 1.0000000
He S
0.0133000 1.0000000
He P
10.1530000 1.0000000
He P
3.6270000 1.0000000
He P
1.2960000 1.0000000
He P
0.4630000 1.0000000
He P
0.1400000 1.0000000
He P
0.0423000 1.0000000
He D
7.6660000 1.0000000
He D
2.6470000 1.0000000
He D
0.9140000 1.0000000
He D
0.2892000 1.0000000
He D
0.0915000 1.0000000
He F
5.4110000 1.0000000
He F
1.7070000 1.0000000
He F
0.5345000 1.0000000
He F
0.1670000 1.0000000
He G
3.4300000 1.0000000
He G
0.7899000 1.0000000
He G
0.1820000 1.0000000
end
basis "B_d-aug-cc-pV5Z" SPHERICAL
B S
68260.0000000 0.0000240 -0.0000050
10230.0000000 0.0001850 -0.0000370
2328.0000000 0.0009700 -0.0001960
660.4000000 0.0040560 -0.0008240
216.2000000 0.0143990 -0.0029230
78.6000000 0.0439010 -0.0091380
30.9800000 0.1130570 -0.0241050
12.9600000 0.2338250 -0.0547550
5.6590000 0.3539600 -0.0969430
2.5560000 0.3015470 -0.1374850
B S
1.1750000 1.0000000
B S
0.4249000 1.0000000
B S
0.1712000 1.0000000
B S
0.0691300 1.0000000
B S
0.0261000 1.0000000
B S
0.0098500 1.0000000
B P
66.4400000 0.0008380
15.7100000 0.0064090
4.9360000 0.0280810
1.7700000 0.0921520
B P
0.7008000 1.0000000
B P
0.2901000 1.0000000
B P
0.1211000 1.0000000
B P
0.0497300 1.0000000
B P
0.0157000 1.0000000
B P
0.0049600 1.0000000
B D
2.0100000 1.0000000
B D
0.7960000 1.0000000
B D
0.3160000 1.0000000
B D
0.1250000 1.0000000
B D
0.0431000 1.0000000
B D
0.0149000 1.0000000
B F
1.2150000 1.0000000
B F
0.5250000 1.0000000
B F
0.2270000 1.0000000
B F
0.0843000 1.0000000
B F
0.0313000 1.0000000
B G
1.1240000 1.0000000
B G
0.4610000 1.0000000
B G
0.2020000 1.0000000
B G
0.0885000 1.0000000
B H
0.8340000 1.0000000
B H
0.3840000 1.0000000
B H
0.1770000 1.0000000
end
basis "C_d-aug-cc-pV5Z" SPHERICAL
C S
96770.0000000 0.0000250 -0.0000050
14500.0000000 0.0001900 -0.0000410
3300.0000000 0.0010000 -0.0002130
935.8000000 0.0041830 -0.0008970
306.2000000 0.0148590 -0.0031870
111.3000000 0.0453010 -0.0099610
43.9000000 0.1165040 -0.0263750
18.4000000 0.2402490 -0.0600010
8.0540000 0.3587990 -0.1068250
3.6370000 0.2939410 -0.1441660
C S
1.6560000 1.0000000
C S
0.6333000 1.0000000
C S
0.2545000 1.0000000
C S
0.1019000 1.0000000
C S
0.0394000 1.0000000
C S
0.0152000 1.0000000
C P
101.8000000 0.0008910
24.0400000 0.0069760
7.5710000 0.0316690
2.7320000 0.1040060
C P
1.0850000 1.0000000
C P
0.4496000 1.0000000
C P
0.1876000 1.0000000
C P
0.0760600 1.0000000
C P
0.0272000 1.0000000
C P
0.0097000 1.0000000
C D
3.1340000 1.0000000
C D
1.2330000 1.0000000
C D
0.4850000 1.0000000
C D
0.1910000 1.0000000
C D
0.0701000 1.0000000
C D
0.0257000 1.0000000
C F
2.0060000 1.0000000
C F
0.8380000 1.0000000
C F
0.3500000 1.0000000
C F
0.1380000 1.0000000
C F
0.0544000 1.0000000
C G
1.7530000 1.0000000
C G
0.6780000 1.0000000
C G
0.3190000 1.0000000
C G
0.1500000 1.0000000
C H
1.2590000 1.0000000
C H
0.5860000 1.0000000
C H
0.2730000 1.0000000
end
basis "N_d-aug-cc-pV5Z" SPHERICAL
N S
129200.0000000 0.0000250 -0.0000060
19350.0000000 0.0001970 -0.0000430
4404.0000000 0.0010320 -0.0002270
1248.0000000 0.0043250 -0.0009580
408.0000000 0.0153800 -0.0034160
148.2000000 0.0468670 -0.0106670
58.5000000 0.1201160 -0.0282790
24.5900000 0.2456950 -0.0640200
10.8100000 0.3613790 -0.1139320
4.8820000 0.2872830 -0.1469950
N S
2.1950000 1.0000000
N S
0.8715000 1.0000000
N S
0.3504000 1.0000000
N S
0.1397000 1.0000000
N S
0.0518000 1.0000000
N S
0.0192000 1.0000000
N P
147.0000000 0.0008920
34.7600000 0.0070820
11.0000000 0.0328160
3.9950000 0.1082090
N P
1.5870000 1.0000000
N P
0.6533000 1.0000000
N P
0.2686000 1.0000000
N P
0.1067000 1.0000000
N P
0.0369000 1.0000000
N P
0.0128000 1.0000000
N D
4.6470000 1.0000000
N D
1.8130000 1.0000000
N D
0.7070000 1.0000000
N D
0.2760000 1.0000000
N D
0.0971000 1.0000000
N D
0.0342000 1.0000000
N F
2.9420000 1.0000000
N F
1.2040000 1.0000000
N F
0.4930000 1.0000000
N F
0.1920000 1.0000000
N F
0.0748000 1.0000000
N G
2.5110000 1.0000000
N G
0.9420000 1.0000000
N G
0.4360000 1.0000000
N G
0.2020000 1.0000000
N H
1.7680000 1.0000000
N H
0.7880000 1.0000000
N H
0.3510000 1.0000000
end
basis "O_d-aug-cc-pV5Z" SPHERICAL
O S
164200.0000000 0.0000260 -0.0000060
24590.0000000 0.0002050 -0.0000460
5592.0000000 0.0010760 -0.0002440
1582.0000000 0.0045220 -0.0010310
516.1000000 0.0161080 -0.0036880
187.2000000 0.0490850 -0.0115140
73.9300000 0.1248570 -0.0304350
31.2200000 0.2516860 -0.0681470
13.8100000 0.3624200 -0.1203680
6.2560000 0.2790510 -0.1482600
O S
2.7760000 1.0000000
O S
1.1380000 1.0000000
O S
0.4600000 1.0000000
O S
0.1829000 1.0000000
O S
0.0655000 1.0000000
O S
0.0235000 1.0000000
O P
195.5000000 0.0009180
46.1600000 0.0073880
14.5800000 0.0349580
5.2960000 0.1154310
O P
2.0940000 1.0000000
O P
0.8471000 1.0000000
O P
0.3368000 1.0000000
O P
0.1285000 1.0000000
O P
0.0446000 1.0000000
O P
0.0155000 1.0000000
O D
5.8790000 1.0000000
O D
2.3070000 1.0000000
O D
0.9050000 1.0000000
O D
0.3550000 1.0000000
O D
0.1310000 1.0000000
O D
0.0483000 1.0000000
O F
4.0160000 1.0000000
O F
1.5540000 1.0000000
O F
0.6010000 1.0000000
O F
0.2370000 1.0000000
O F
0.0935000 1.0000000
O G
3.3500000 1.0000000
O G
1.1890000 1.0000000
O G
0.5170000 1.0000000
O G
0.2250000 1.0000000
O H
2.3190000 1.0000000
O H
1.0240000 1.0000000
O H
0.4520000 1.0000000
end
basis "F_d-aug-cc-pV5Z" SPHERICAL
F S
211400.0000000 0.0000260 -0.0000060
31660.0000000 0.0002010 -0.0000470
7202.0000000 0.0010560 -0.0002440
2040.0000000 0.0044320 -0.0010310
666.4000000 0.0157660 -0.0036830
242.0000000 0.0481120 -0.0115130
95.5300000 0.1232320 -0.0306630
40.2300000 0.2515190 -0.0695720
17.7200000 0.3645250 -0.1239920
8.0050000 0.2797660 -0.1502140
F S
3.5380000 1.0000000
F S
1.4580000 1.0000000
F S
0.5887000 1.0000000
F S
0.2324000 1.0000000
F S
0.0806000 1.0000000
F S
0.0280000 1.0000000
F P
241.9000000 0.0010020
57.1700000 0.0080540
18.1300000 0.0380480
6.6240000 0.1237790
F P
2.6220000 1.0000000
F P
1.0570000 1.0000000
F P
0.4176000 1.0000000
F P
0.1574000 1.0000000
F P
0.0550000 1.0000000
F P
0.0192000 1.0000000
F D
7.7600000 1.0000000
F D
3.0320000 1.0000000
F D
1.1850000 1.0000000
F D
0.4630000 1.0000000
F D
0.1720000 1.0000000
F D
0.0639000 1.0000000
F F
5.3980000 1.0000000
F F
2.0780000 1.0000000
F F
0.8000000 1.0000000
F F
0.3310000 1.0000000
F F
0.1370000 1.0000000
F G
4.3380000 1.0000000
F G
1.5130000 1.0000000
F G
0.6630000 1.0000000
F G
0.2910000 1.0000000
F H
2.9950000 1.0000000
F H
1.3260000 1.0000000
F H
0.5870000 1.0000000
end
basis "Ne_d-aug-cc-pV5Z" SPHERICAL
Ne S
262700.0000000 0.0000260 -0.0000060
39350.0000000 0.0002000 -0.0000470
8955.0000000 0.0010500 -0.0002470
2538.0000000 0.0044000 -0.0010380
829.9000000 0.0156490 -0.0037110
301.5000000 0.0477580 -0.0115930
119.0000000 0.1229430 -0.0310860
50.0000000 0.2524830 -0.0709720
21.9800000 0.3663140 -0.1272660
9.8910000 0.2796170 -0.1512310
Ne S
4.3270000 1.0000000
Ne S
1.8040000 1.0000000
Ne S
0.7288000 1.0000000
Ne S
0.2867000 1.0000000
Ne S
0.0957000 1.0000000
Ne S
0.0319000 1.0000000
Ne P
299.1000000 0.0010380
70.7300000 0.0083750
22.4800000 0.0396930
8.2460000 0.1280560
Ne P
3.2690000 1.0000000
Ne P
1.3150000 1.0000000
Ne P
0.5158000 1.0000000
Ne P
0.1918000 1.0000000
Ne P
0.0654000 1.0000000
Ne P
0.0223000 1.0000000
Ne D
9.8370000 1.0000000
Ne D
3.8440000 1.0000000
Ne D
1.5020000 1.0000000
Ne D
0.5870000 1.0000000
Ne D
0.2130000 1.0000000
Ne D
0.0773000 1.0000000
Ne F
7.0900000 1.0000000
Ne F
2.7380000 1.0000000
Ne F
1.0570000 1.0000000
Ne F
0.4250000 1.0000000
Ne F
0.1710000 1.0000000
Ne G
5.4600000 1.0000000
Ne G
1.8800000 1.0000000
Ne G
0.8090000 1.0000000
Ne G
0.3480000 1.0000000
Ne H
3.7760000 1.0000000
Ne H
1.6280000 1.0000000
Ne H
0.7020000 1.0000000
end
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