MOLPRO Basis Query, basis=aug-cc-pV5Z

 Molpro basis library aug_cc_pv5z (aug-cc-pV5Z)
 Generated from aug_cc_pv5z.bas at Mon Dec  4 05:20:28 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).
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     (8s,4p,3d,2f,1g) -> [5s,4p,3d,2f,1g]              
 HYDROGEN     (1s,1p,1d,1f,1g)                                  

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

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

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

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

 ALUMINUM     (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]      
 ALUMINUM     (1s,1p,1d,1f,1g,1h)                               

 SILICON      (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]      
 SILICON      (1s,1p,1d,1f,1g,1h)                               

 PHOSPHORUS   (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]      
 PHOSPHORUS   (1s,1p,1d,1f,1g,1h)                               

 SULFUR       (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]      
 SULFUR       (1s,1p,1d,1f,1g,1h)                               

 CHLORINE     (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]      
 CHLORINE     (1s,1p,1d,1f,1g,1h)                               

 ARGON        (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]      
 ARGON        (1s,1p,1d,1f,1g,1h)                               

 GALLIUM      (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]     
 GALLIUM      (1s,1p,1d,1f,1g,1h)                               

 GERMANIUM    (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]     
 GERMANIUM    (1s,1p,1d,1f,1g,1h)                               

 ARSENIC      (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]     
 ARSENIC      (1s,1p,1d,1f,1g,1h)                               

 SELENIUM     (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]     
 SELENIUM     (1s,1p,1d,1f,1g,1h)                               

 BROMINE      (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]     
 BROMINE      (1s,1p,1d,1f,1g,1h)                               

 KRYPTON      (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]     
 KRYPTON      (1s,1p,1d,1f,1g,1h)