/usr/share/psi4/basis/cc-pwcvtz.gbs is in psi4-data 1:1.1-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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3422 3423 3424 3425 3426 3427 3428 3429 3430 3431 3432 3433 | spherical
!
! cc-pVTZ EMSL Basis Set Exchange Library 8/12/10 2:36 AM
! 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)
!
!
! cc-pwCVTZ-NR EMSL Basis Set Exchange Library 3/29/16 9:43 AM
! Elements References
! -------- ----------
! Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys., accepted (2005).
!
!
! cc-pwCVTZ Tight EMSL Basis Set Exchange Library 8/19/10 11:51 AM
! Elements References
! -------- ----------
! B - Ne: K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. (submitted)
! Al - Ar:
! Br : K.A. Peterson (to be published)
!
!
!
! H He
! blank entries added
!
!
! merged from tight-cc-pwcvtz.gbs and basis-blankHHe.gbs at Wed, 02:16 Aug 25, 2010
!
!
! merged from cc-pvtz.gbs and tight-cc-pwcvtz_autogen.gbs at Wed, 02:16 Aug 25, 2010
!
****
H 0
S 3 1.00
33.8700000 0.0060680
5.0950000 0.0453080
1.1590000 0.2028220
S 1 1.00
0.3258000 1.0000000
S 1 1.00
0.1027000 1.0000000
P 1 1.00
1.4070000 1.0000000
P 1 1.00
0.3880000 1.0000000
D 1 1.00
1.0570000 1.0000000
****
He 0
S 4 1.00
234.0000000 0.0025870
35.1600000 0.0195330
7.9890000 0.0909980
2.2120000 0.2720500
S 1 1.00
0.6669000 1.0000000
S 1 1.00
0.2089000 1.0000000
P 1 1.00
3.0440000 1.0000000
P 1 1.00
0.7580000 1.0000000
D 1 1.00
1.9650000 1.0000000
****
B 0
S 8 1.00
5473.0000000 0.0005550
820.9000000 0.0042910
186.8000000 0.0219490
52.8300000 0.0844410
17.0800000 0.2385570
5.9990000 0.4350720
2.2080000 0.3419550
0.2415000 -0.0095450
S 8 1.00
5473.0000000 -0.0001120
820.9000000 -0.0008680
186.8000000 -0.0044840
52.8300000 -0.0176830
17.0800000 -0.0536390
5.9990000 -0.1190050
2.2080000 -0.1658240
0.2415000 0.5959810
S 1 1.00
0.5879000 1.0000000
S 1 1.00
0.0861000 1.0000000
P 3 1.00
12.0500000 0.0131180
2.6130000 0.0798960
0.7475000 0.2772750
P 1 1.00
0.2385000 1.0000000
P 1 1.00
0.0769800 1.0000000
D 1 1.00
0.6610000 1.0000000
D 1 1.00
0.1990000 1.0000000
F 1 1.00
0.4900000 1.0000000
S 1 1.00
2.4540000 1.0000000
S 1 1.00
6.4300000 1.0000000
P 1 1.00
3.4980000 1.0000000
P 1 1.00
14.3720000 1.0000000
D 1 1.00
3.0290000 1.0000000
****
C 0
S 8 1.00
8236.0000000 0.0005310
1235.0000000 0.0041080
280.8000000 0.0210870
79.2700000 0.0818530
25.5900000 0.2348170
8.9970000 0.4344010
3.3190000 0.3461290
0.3643000 -0.0089830
S 8 1.00
8236.0000000 -0.0001130
1235.0000000 -0.0008780
280.8000000 -0.0045400
79.2700000 -0.0181330
25.5900000 -0.0557600
8.9970000 -0.1268950
3.3190000 -0.1703520
0.3643000 0.5986840
S 1 1.00
0.9059000 1.0000000
S 1 1.00
0.1285000 1.0000000
P 3 1.00
18.7100000 0.0140310
4.1330000 0.0868660
1.2000000 0.2902160
P 1 1.00
0.3827000 1.0000000
P 1 1.00
0.1209000 1.0000000
D 1 1.00
1.0970000 1.0000000
D 1 1.00
0.3180000 1.0000000
F 1 1.00
0.7610000 1.0000000
S 1 1.00
3.4740000 1.0000000
S 1 1.00
8.8280000 1.0000000
P 1 1.00
5.4420000 1.0000000
P 1 1.00
21.5520000 1.0000000
D 1 1.00
4.9500000 1.0000000
****
N 0
S 8 1.00
11420.0000000 0.0005230
1712.0000000 0.0040450
389.3000000 0.0207750
110.0000000 0.0807270
35.5700000 0.2330740
12.5400000 0.4335010
4.6440000 0.3474720
0.5118000 -0.0085080
S 8 1.00
11420.0000000 -0.0001150
1712.0000000 -0.0008950
389.3000000 -0.0046240
110.0000000 -0.0185280
35.5700000 -0.0573390
12.5400000 -0.1320760
4.6440000 -0.1725100
0.5118000 0.5999440
S 1 1.00
1.2930000 1.0000000
S 1 1.00
0.1787000 1.0000000
P 3 1.00
26.6300000 0.0146700
5.9480000 0.0917640
1.7420000 0.2986830
P 1 1.00
0.5550000 1.0000000
P 1 1.00
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****
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****
|