psi4-data 1:0.3-5 / usr / share / psi / grids / cc-pVDZ-D_coarse.grid

This file is indexed.

/usr/share/psi/grids/cc-pVDZ-D_coarse.grid is in psi4-data 1:0.3-5.

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
 88
 89
 90
 91
 92
 93
 94
 95
 96
 97
 98
 99
100
101
102
103
104
105
106
107
108
109
110
111
112
!Pseudospectral coarse grid for cc-pVDZ(-D)
****
Li 0
  3 0.14294
  3 0.71470
  3 1.42941
  5 2.68791
  9 4.40727
  5 6.57212
  3 8.80637
  3 11.84118
  3 14.80148
****
Be 0
  3 0.08474
  3 0.42370
  3 0.84740
  5 1.59348
  9 2.61276
  5 3.89615
  3 5.22068
  3 7.01981
  3 8.77476
****
N 0
  3 0.07112
  3 0.35562
  5 0.71125
  5 1.33746
  5 2.19298
  5 3.27018
  3 4.38191
  3 5.89198
  3 7.36497
****
O 0
  3 0.06815
  3 0.34077
  3 0.68155
  5 1.28161
  9 2.10140
  5 3.13361
  3 4.19891
  3 5.64592
  3 7.05740
****
F 0
  3 0.06530
  3 0.32650
  3 0.65300
  5 1.22792
  9 2.01337
  5 3.00234
  3 4.02301
  3 5.40941
  3 6.76176
****
Na 0
  3 0.15318
  3 0.76590
  3 1.53181
  5 2.88047
  9 4.72300
  5 7.04295
  3 9.43726
  3 12.68948
  3 15.86185
****
Si 0
  3 0.09947
  3 0.49736
  3 0.99473
  5 1.87052
  9 3.06702
  5 4.57354
  3 6.12836
  3 8.24028
  3 10.30036
****
P 0
  3 0.10242
  3 0.51208
  3 1.02416
  5 1.92588
  9 3.15778
  5 4.70889
  3 6.30972
  3 8.48414
  3 10.60518
****
S 0
  3 0.09188
  3 0.45938
  3 0.91876
  5 1.72767
  9 2.83280
  5 4.22427
  3 5.66035
  3 7.61099
  3 9.51374
****
Cl 0
  3 0.08408
  3 0.42039
  3 0.84078
  5 1.58103
  9 2.59236
  5 3.86573
  3 5.17992
  3 6.96500
  3 8.70625
****

APT Browse - Built by Thomas Orozco.