MOLPRO Basis Query (current), basis=AVDZ

 Molpro basis library aug_cc_pvdz (aug-cc-pVDZ)
 Generated from aug_cc_pvdz.bas at Mon Dec  4 05:17:35 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-Be  : B.P. Prascher, D.E. Woon, K.A. Peterson, T.H. Dunning, Jr., A.K. Wilson, Theor. Chem. Acc., in press (2010).
B - Ne : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
Na - Mg: B.P. Prascher, D.E. Woon, K.A. Peterson, T.H. Dunning, Jr., A.K. Wilson, Theor. Chem. Acc., in press (2010).
Al - Ar: 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); ibid, 125, 074110 (2006).
Ga - Kr: A.K. Wilson, D.E. Woon, K.A. Peterson, and T.H. Dunning, J. Chem. Phys. 110, 7667 (1999).

  POLARIZATION AND/OR DIFFUSE FUNCTIONS
Elements                             References                               
--------                             ---------                                
 B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96,
         6769 (1992).                                                         

 HYDROGEN     (4s,1p) -> [2s,1p]                                
 HYDROGEN     Diffuse (1s,1p)                                   

 HELIUM       (4s,1p) -> [2s,1p]                                
 HELIUM       Diffuse (1s,1p)                                   

 BORON        (9s,4p,1d) -> [3s,2p,1d]                          
 BORON        Diffuse (1s,1p,1d)                                

 CARBON       (9s,4p,1d) -> [3s,2p,1d]                          
 CARBON       Diffuse (1s,1p,1d)                                

 NITROGEN     (9s,4p,1d) -> [3s,2p,1d]                          
 NITROGEN     Diffuse (1s,1p,1d)                                

 OXYGEN       (9s,4p,1d) -> [3s,2p,1d]                          
 OXYGEN       Diffuse (1s,1p,1d)                                

 FLUORINE     (9s,4p,1d) -> [3s,2p,1d]                          
 FLUORINE     Diffuse (1s,1p,1d)                                

 NEON         (9s,4p,1d) -> [3s,2p,1d]                          
 NEON         Diffuse (1s,1p,1d)                                

 ALUMINUM     (12s,8p,1d) -> [4s,3p,1d]                         
 ALUMINUM     Diffuse (1s,1p,1d)                                

 SILICON      (12s,8p,1d) -> [4s,3p,1d]                         
 SILICON      Diffuse (1s,1p,1d)                                

 PHOSPHORUS   (12s,8p,1d) -> [4s,3p,1d]                         
 PHOSPHORUS   Diffuse (1s,1p,1d)                                

 SULFUR       (12s,8p,1d) -> [4s,3p,1d]                         
 SULFUR       Diffuse (1s,1p,1d)                                

 CHLORINE     (12s,8p,1d) -> [4s,3p,1d]                         
 CHLORINE     Diffuse (1s,1p,1d)                                

 ARGON        (12s,8p,1d) -> [4s,3p,1d]                         
 ARGON        Diffuse (1s,1p,1d)                                

 GALLIUM      (14s,11p,6d) -> [5s,4p,2d]                        
 GALLIUM      Diffuse (1s,1p,1d)                                

 GERMANIUM    (14s,11p,6d) -> [5s,4p,2d]                        
 GERMANIUM    Diffuse (1s,1p,1d)                                

 ARSENIC      (14s,11p,6d) -> [5s,4p,2d]                        
 ARSENIC      Diffuse (1s,1p,1d)                                

 SELENIUM     (14s,11p,6d) -> [5s,4p,2d]                        
 SELENIUM     Diffuse (1s,1p,1d)                                

 BROMINE      (14s,11p,6d) -> [5s,4p,2d]                        
 BROMINE      Diffuse (1s,1p,1d)                                

 KRYPTON      (14s,11p,6d) -> [5s,4p,2d]                        
 KRYPTON      Diffuse (1s,1p,1d)