/usr/share/psi4/basis/primitives/hold-diffuse-feb-cc-pv6z.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.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 | ! aug-cc-pV6Z Diffuse EMSL Basis Set Exchange Library 8/19/10 12:11 PM
! Elements References
! -------- ---------
! H : K.A. Peterson, D.E. Woon (unpublished)
! B - O: A.K. Wilson, T. van Mourik and T.H. Dunning, Jr. J. Mol. Struct.
! (THEOCHEM) 388, 339 (1997).
! Cl:
!
****
H 0
****
He 0
****
B 0
S 1 1.00
0.0230000 1.0000000
P 1 1.00
0.0136500 1.0000000
****
C 0
S 1 1.00
0.0354000 1.0000000
P 1 1.00
0.0237600 1.0000000
****
N 0
S 1 1.00
0.0471400 1.0000000
P 1 1.00
0.0315000 1.0000000
****
O 0
S 1 1.00
0.0593500 1.0000000
P 1 1.00
0.0338000 1.0000000
****
F 0
S 1 1.00
0.0731500 1.0000000
P 1 1.00
0.0476000 1.0000000
****
Ne 0
S 1 1.00
0.0869000 1.0000000
P 1 1.00
0.0566000 1.0000000
****
Al 0
S 1 1.00
0.0173700 1.0000000
P 1 1.00
0.0102100 1.0000000
****
Si 0
S 1 1.00
0.0253900 1.0000000
P 1 1.00
0.0169400 1.0000000
****
P 0
S 1 1.00
0.0322800 1.0000000
P 1 1.00
0.0219700 1.0000000
****
S 0
S 1 1.00
0.0389300 1.0000000
P 1 1.00
0.0264800 1.0000000
****
Cl 0
S 1 1.00
0.0462500 1.0000000
P 1 1.00
0.0316300 1.0000000
****
Ar 0
S 1 1.00
0.0535700 1.0000000
P 1 1.00
0.0367800 1.0000000
****
|