MOLPRO Basis Query, basis=d-aug-cc-pV5Z

 Molpro basis library daug_cc_pv5z (d-aug-cc-pV5Z)
 Generated from daug_cc_pv5z.bas at Mon Dec  4 05:23:56 GMT 2000

  Literature Citation
Elements                             References                               
--------                             ----------                               
H      : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                    
He     : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).     
Li     : Unofficial set from D. Feller.                                       
B  - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                    
Na - Mg: Unofficial set from D. Feller.                                       
Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).     

  POLARIZATION AND/OR DIFFUSE FUNCTIONS
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,
         6769 (1992).                                                         
Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).      

  POLARIZATION AND/OR DIFFUSE FUNCTIONS
Elements                             References                               
--------                             ---------                                
H - He:  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).    
 B - F:                                                                       
Al - Cl:                                                                      

 HYDROGEN     (8s,4p,3d,2f,1g) -> [5s,4p,3d,2f,1g]              
 HYDROGEN     (1s,1p,1d,1f,1g)                                  
 HYDROGEN     (1s,1p,1d,1f,1g)                                  

 HELIUM       (8s,4p,3d,2f,1g) -> [5s,4p,3d,2f,1g]              
 HELIUM       (1s,1p,1d,1f,1g)                                  
 HELIUM       (1s,1p,1d,1f,1g)                                  

 BORON        (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]       
 BORON        (1s,1p,1d,1f,1g,1h)                               
 BORON        (1s,1p,1d,1f,1g,1h)                               

 CARBON       (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]       
 CARBON       (1s,1p,1d,1f,1g,1h)                               
 CARBON       (1s,1p,1d,1f,1g,1h)                               

 NITROGEN     (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]       
 NITROGEN     (1s,1p,1d,1f,1g,1h)                               
 NITROGEN     (1s,1p,1d,1f,1g,1h)                               

 OXYGEN       (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]       
 OXYGEN       (1s,1p,1d,1f,1g,1h)                               
 OXYGEN       (1s,1p,1d,1f,1g,1h)                               

 FLUORINE     (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]       
 FLUORINE     (1s,1p,1d,1f,1g,1h)                               
 FLUORINE     (1s,1p,1d,1f,1g,1h)                               

 NEON         (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]       
 NEON         (1s,1p,1d,1f,1g,1h)                               
 NEON         (1s,1p,1d,1f,1g,1h)