/usr/share/nwchem/libraries/d-aug-cc-pvdz is in nwchem-data 6.6+r27746-2.
This file is owned by root:root, with mode 0o644.
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 - 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).
# Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005),
# N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 125, 074110 (2006)
# Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
#
# 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),
# N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 125, 074110 (2006).
#
# 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-pVDZ" SPHERICAL
H S
13.0100000 0.0196850
1.9620000 0.1379770
0.4446000 0.4781480
H S
0.1220000 1.0000000
H S
0.0297400 1.0000000
H S
0.0072500 1.0000000
H P
0.7270000 1.0000000
H P
0.1410000 1.0000000
H P
0.0273000 1.0000000
end
basis "He_d-aug-cc-pVDZ" SPHERICAL
He S
38.3600000 0.0238090
5.7700000 0.1548910
1.2400000 0.4699870
He S
0.2976000 1.0000000
He S
0.0725500 1.0000000
He S
0.0177000 1.0000000
He P
1.2750000 1.0000000
He P
0.2473000 1.0000000
He P
0.0480000 1.0000000
end
basis "B_d-aug-cc-pVDZ" SPHERICAL
B S
4570.0000000 0.0006960 -0.0001390
685.9000000 0.0053530 -0.0010970
156.5000000 0.0271340 -0.0054440
44.4700000 0.1013800 -0.0219160
14.4800000 0.2720550 -0.0597510
5.1310000 0.4484030 -0.1387320
1.8980000 0.2901230 -0.1314820
0.3329000 0.0143220 0.5395260
B S
0.1043000 1.0000000
B S
0.0310500 1.0000000
B S
0.0092400 1.0000000
B P
6.0010000 0.0354810
1.2410000 0.1980720
0.3364000 0.5052300
B P
0.0953800 1.0000000
B P
0.0237800 1.0000000
B P
0.0059300 1.0000000
B D
0.3430000 1.0000000
B D
0.0904000 1.0000000
B D
0.0238000 1.0000000
end
basis "C_d-aug-cc-pVDZ" SPHERICAL
C S
6665.0000000 0.0006920 -0.0001460
1000.0000000 0.0053290 -0.0011540
228.0000000 0.0270770 -0.0057250
64.7100000 0.1017180 -0.0233120
21.0600000 0.2747400 -0.0639550
7.4950000 0.4485640 -0.1499810
2.7970000 0.2850740 -0.1272620
0.5215000 0.0152040 0.5445290
C S
0.1596000 1.0000000
C S
0.0469000 1.0000000
C S
0.0138000 1.0000000
C P
9.4390000 0.0381090
2.0020000 0.2094800
0.5456000 0.5085570
C P
0.1517000 1.0000000
C P
0.0404100 1.0000000
C P
0.0108000 1.0000000
C D
0.5500000 1.0000000
C D
0.1510000 1.0000000
C D
0.0415000 1.0000000
end
basis "N_d-aug-cc-pVDZ" SPHERICAL
N S
9046.0000000 0.0007000 -0.0001530
1357.0000000 0.0053890 -0.0012080
309.3000000 0.0274060 -0.0059920
87.7300000 0.1032070 -0.0245440
28.5600000 0.2787230 -0.0674590
10.2100000 0.4485400 -0.1580780
3.8380000 0.2782380 -0.1218310
0.7466000 0.0154400 0.5490030
N S
0.2248000 1.0000000
N S
0.0612400 1.0000000
N S
0.0167000 1.0000000
N P
13.5500000 0.0399190
2.9170000 0.2171690
0.7973000 0.5103190
N P
0.2185000 1.0000000
N P
0.0561100 1.0000000
N P
0.0144000 1.0000000
N D
0.8170000 1.0000000
N D
0.2300000 1.0000000
N D
0.0647000 1.0000000
end
basis "O_d-aug-cc-pVDZ" SPHERICAL
O S
11720.0000000 0.0007100 -0.0001600
1759.0000000 0.0054700 -0.0012630
400.8000000 0.0278370 -0.0062670
113.7000000 0.1048000 -0.0257160
37.0300000 0.2830620 -0.0709240
13.2700000 0.4487190 -0.1654110
5.0250000 0.2709520 -0.1169550
1.0130000 0.0154580 0.5573680
O S
0.3023000 1.0000000
O S
0.0789600 1.0000000
O S
0.0206000 1.0000000
O P
17.7000000 0.0430180
3.8540000 0.2289130
1.0460000 0.5087280
O P
0.2753000 1.0000000
O P
0.0685600 1.0000000
O P
0.0171000 1.0000000
O D
1.1850000 1.0000000
O D
0.3320000 1.0000000
O D
0.0930000 1.0000000
end
basis "F_d-aug-cc-pVDZ" SPHERICAL
F S
14710.0000000 0.0007210 -0.0001650
2207.0000000 0.0055530 -0.0013080
502.8000000 0.0282670 -0.0064950
142.6000000 0.1064440 -0.0266910
46.4700000 0.2868140 -0.0736900
16.7000000 0.4486410 -0.1707760
6.3560000 0.2647610 -0.1123270
1.3160000 0.0153330 0.5628140
F S
0.3897000 1.0000000
F S
0.0986300 1.0000000
F S
0.0250000 1.0000000
F P
22.6700000 0.0448780
4.9770000 0.2357180
1.3470000 0.5085210
F P
0.3471000 1.0000000
F P
0.0850200 1.0000000
F P
0.0208000 1.0000000
F D
1.6400000 1.0000000
F D
0.4640000 1.0000000
F D
0.1310000 1.0000000
end
basis "Ne_d-aug-cc-pVDZ" SPHERICAL
Ne S
17880.0000000 0.0007380 -0.0001720
2683.0000000 0.0056770 -0.0013570
611.5000000 0.0288830 -0.0067370
173.5000000 0.1085400 -0.0276630
56.6400000 0.2909070 -0.0762080
20.4200000 0.4483240 -0.1752270
7.8100000 0.2580260 -0.1070380
1.6530000 0.0150630 0.5670500
Ne S
0.4869000 1.0000000
Ne S
0.1230000 1.0000000
Ne S
0.0311000 1.0000000
Ne P
28.3900000 0.0460870
6.2700000 0.2401810
1.6950000 0.5087440
Ne P
0.4317000 1.0000000
Ne P
0.1064000 1.0000000
Ne P
0.0262000 1.0000000
Ne D
2.2020000 1.0000000
Ne D
0.6310000 1.0000000
Ne D
0.1810000 1.0000000
end
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