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

This file is indexed.

/usr/share/psi4/basis/primitives/hold-diffuse-may-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
 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
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
!  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 H    :  K.A. Peterson, D.E. Woon (unpublished)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        
D   1   1.00
      0.0392000              1.0000000        
F   1   1.00
      0.0733000              1.0000000        
G   1   1.00
      0.1620000              1.0000000        
****
C     0 
S   1   1.00
      0.0354000              1.0000000        
P   1   1.00
      0.0237600              1.0000000        
D   1   1.00
      0.0636000              1.0000000        
F   1   1.00
      0.1180000              1.0000000        
G   1   1.00
      0.2540000              1.0000000        
****
N     0 
S   1   1.00
      0.0471400              1.0000000        
P   1   1.00
      0.0315000              1.0000000        
D   1   1.00
      0.0874000              1.0000000        
F   1   1.00
      0.1510000              1.0000000        
G   1   1.00
      0.3260000              1.0000000        
****
O     0 
S   1   1.00
      0.0593500              1.0000000        
P   1   1.00
      0.0338000              1.0000000        
D   1   1.00
      0.1150000              1.0000000        
F   1   1.00
      0.1950000              1.0000000        
G   1   1.00
      0.4060000              1.0000000        
****
F     0 
S   1   1.00
      0.0731500              1.0000000        
P   1   1.00
      0.0476000              1.0000000        
D   1   1.00
      0.1510000              1.0000000        
F   1   1.00
      0.2720000              1.0000000        
G   1   1.00
      0.5200000              1.0000000        
****
Ne     0 
S   1   1.00
      0.0869000              1.0000000        
P   1   1.00
      0.0566000              1.0000000        
D   1   1.00
      0.1870000              1.0000000        
F   1   1.00
      0.3492000              1.0000000        
G   1   1.00
      0.6345000              1.0000000        
****
Al     0 
S   1   1.00
      0.0173700              1.0000000        
P   1   1.00
      0.0102100              1.0000000        
D   1   1.00
      0.0266600              1.0000000        
F   1   1.00
      0.0462500              1.0000000        
G   1   1.00
      0.0854500              1.0000000        
****
Si     0 
S   1   1.00
      0.0253900              1.0000000        
P   1   1.00
      0.0169400              1.0000000        
D   1   1.00
      0.0413900              1.0000000        
F   1   1.00
      0.0688400              1.0000000        
G   1   1.00
      0.1164000              1.0000000        
****
P     0 
S   1   1.00
      0.0322800              1.0000000        
P   1   1.00
      0.0219700              1.0000000        
D   1   1.00
      0.0549200              1.0000000        
F   1   1.00
      0.0871000              1.0000000        
G   1   1.00
      0.1470000              1.0000000        
****
S     0 
S   1   1.00
      0.0389300              1.0000000        
P   1   1.00
      0.0264800              1.0000000        
D   1   1.00
      0.0698600              1.0000000        
F   1   1.00
      0.1100000              1.0000000        
G   1   1.00
      0.1799000              1.0000000        
****
Cl     0 
S   1   1.00
      0.0462500              1.0000000        
P   1   1.00
      0.0316300              1.0000000        
D   1   1.00
      0.0888500              1.0000000        
F   1   1.00
      0.1465000              1.0000000        
G   1   1.00
      0.2177000              1.0000000        
****
Ar     0 
S   1   1.00
      0.0535700              1.0000000        
P   1   1.00
      0.0367800              1.0000000        
D   1   1.00
      0.1078000              1.0000000        
F   1   1.00
      0.1830000              1.0000000        
G   1   1.00
      0.2555000              1.0000000        
****

APT Browse - Built by Thomas Orozco.