MOLPRO Basis Query, basis=V5Z-DK


  Literature Citation
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).
B - Ne : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
Ga - Kr: A.K. Wilson, D.E. Woon, K.A. Peterson, and T.H. Dunning, J. Chem. Phys. 110, 7667 (1999).
all of above: W.A. de Jong, R.J. Harrison, and D.A. Dixon, J. Chem. Phys. 114, 48 (2001).
Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005).

Original basis sets:                                                          

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

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

 LITHIUM      (14s,7p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]       

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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