psi4-data 1:1.1-5 / usr / share / psi4 / basis / primitives / hold-diffuse-mar-cc-pv6z-ri.gbs

This file is indexed.

/usr/share/psi4/basis/primitives/hold-diffuse-mar-cc-pv6z-ri.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
 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
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
!  aug-cc-pV6Z-RI diffuse  EMSL  Basis Set Exchange Library   8/19/10 12:12 PM
! Elements                             References
! --------                             ----------
! : Christof Hattig, to be published .
! 



****
H     0 
****
He     0 
****
B     0 
S   1   1.00
      0.0508502              1.0000000        
P   1   1.00
      0.0669553              1.0000000        
D   1   1.00
      0.0555561              1.0000000        
F   1   1.00
      0.0720837              1.0000000        
****
C     0 
S   1   1.00
      0.0703308              1.0000000        
P   1   1.00
      0.0812994              1.0000000        
D   1   1.00
      0.0736652              1.0000000        
F   1   1.00
      0.1221130              1.0000000        
****
N     0 
S   1   1.00
      0.0923591              1.0000000        
P   1   1.00
      0.1065830              1.0000000        
D   1   1.00
      0.1017510              1.0000000        
F   1   1.00
      0.2096700              1.0000000        
****
O     0 
S   1   1.00
      0.1098320              1.0000000        
P   1   1.00
      0.1376100              1.0000000        
D   1   1.00
      0.1004080              1.0000000        
F   1   1.00
      0.2106300              1.0000000        
****
F     0 
S   1   1.00
      0.1290810              1.0000000        
P   1   1.00
      0.1781470              1.0000000        
D   1   1.00
      0.1234140              1.0000000        
F   1   1.00
      0.2804310              1.0000000        
****
Ne     0 
S   1   1.00
      0.1827160              1.0000000        
P   1   1.00
      0.2116190              1.0000000        
D   1   1.00
      0.2531250              1.0000000        
F   1   1.00
      0.4151270              1.0000000        
****
Al     0 
S   1   1.00
      0.0270484              1.0000000        
P   1   1.00
      0.0355123              1.0000000        
D   1   1.00
      0.0432914              1.0000000        
F   1   1.00
      0.0542597              1.0000000        
****
Si     0 
S   1   1.00
      0.0372869              1.0000000        
P   1   1.00
      0.0445953              1.0000000        
D   1   1.00
      0.0521037              1.0000000        
F   1   1.00
      0.0768723              1.0000000        
****
P     0 
S   1   1.00
      0.0509333              1.0000000        
P   1   1.00
      0.0586717              1.0000000        
D   1   1.00
      0.0669157              1.0000000        
F   1   1.00
      0.1078060              1.0000000        
****
S     0 
S   1   1.00
      0.0585590              1.0000000        
P   1   1.00
      0.0903698              1.0000000        
D   1   1.00
      0.0781470              1.0000000        
F   1   1.00
      0.1335080              1.0000000        
****
Cl     0 
S   1   1.00
      0.0713960              1.0000000        
P   1   1.00
      0.1049990              1.0000000        
D   1   1.00
      0.0847585              1.0000000        
F   1   1.00
      0.1755440              1.0000000        
****
Ar     0 
S   1   1.00
      0.0866461              1.0000000        
P   1   1.00
      0.1403120              1.0000000        
D   1   1.00
      0.1086520              1.0000000        
F   1   1.00
      0.2037820              1.0000000        
****

APT Browse - Built by Thomas Orozco.