psi4-data 1:1.1-5 / usr / share / psi4 / basis / primitives / hold-diffuse-mar-cc-pv5z.gbs

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!  aug-cc-pV5Z Diffuse  EMSL  Basis Set Exchange Library   8/19/10 11:58 AM
! Elements                             References
! --------                             ---------
! H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
! Diffuse s exponent - S. Mielke
! He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
! B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96,
! 6796 (1992).
! Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
! Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys, 123, 064107 (2005)
! 



****
H     0 
****
He     0 
****
B     0 
S   1   1.00
      0.0261000              1.0000000        
P   1   1.00
      0.0157000              1.0000000        
****
C     0 
S   1   1.00
      0.0394000              1.0000000        
P   1   1.00
      0.0272000              1.0000000        
****
N     0 
S   1   1.00
      0.0518000              1.0000000        
P   1   1.00
      0.0369000              1.0000000        
****
O     0 
S   1   1.00
      0.0655000              1.0000000        
P   1   1.00
      0.0446000              1.0000000        
****
F     0 
S   1   1.00
      0.0806000              1.0000000        
P   1   1.00
      0.0550000              1.0000000        
****
Ne     0 
S   1   1.00
      0.0957000              1.0000000        
P   1   1.00
      0.0654000              1.0000000        
****
Al     0 
S   1   1.00
      0.0177000              1.0000000        
P   1   1.00
      0.0115000              1.0000000        
****
Si     0 
S   1   1.00
      0.0260000              1.0000000        
P   1   1.00
      0.0192000              1.0000000        
****
P     0 
S   1   1.00
      0.0335000              1.0000000        
P   1   1.00
      0.0253000              1.0000000        
****
S     0 
S   1   1.00
      0.0420000              1.0000000        
P   1   1.00
      0.0294000              1.0000000        
****
Cl     0 
S   1   1.00
      0.0479000              1.0000000        
P   1   1.00
      0.0348000              1.0000000        
****
Ar     0 
S   1   1.00
      0.0538000              1.0000000        
P   1   1.00
      0.0402000              1.0000000        
****
Ga     0 
S   1   1.00
      0.0173010              1.0000000        
P   1   1.00
      0.0110500              1.0000000        
****
Ge     0 
S   1   1.00
      0.0242740              1.0000000        
P   1   1.00
      0.0175930              1.0000000        
****
As     0 
S   1   1.00
      0.0294180              1.0000000        
P   1   1.00
      0.0220430              1.0000000        
****
Se     0 
S   1   1.00
      0.0339350              1.0000000        
P   1   1.00
      0.0249750              1.0000000        
****
Br     0 
S   1   1.00
      0.0391060              1.0000000        
P   1   1.00
      0.0290520              1.0000000        
****
Kr     0 
S   1   1.00
      0.0442770              1.0000000        
P   1   1.00
      0.0331290              1.0000000        
****

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