MOLPRO Basis Query (current), basis=DZVP-DFT-orb

 Molpro basis library dzvp_dft_orb (DZVP (DFT Orbital))
 Generated from data/dzvp_dft_orb.bas at Mon Jul  5 15:25:40 BST 1999

  Literature Citation
N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 70, 560   
 (1992)                                                                       

 HYDROGEN     (5s) -> [2s]                                      

 HELIUM       (6s) -> [2s]                                      

 LITHIUM      (9s,1p,1d) -> [3s,1p,1d]                          

 BERYLLIUM    (9s,1p,1d) -> [3s,1p,1d]                          

 BORON        (9s,5p,1d) -> [3s,2p,1d]                          

 CARBON       (9s,5p,1d) -> [3s,2p,1d]                          

 NITROGEN     (9s,5p,1d) -> [3s,2p,1d]                          

 OXYGEN       (9s,5p,1d) -> [3s,2p,1d]                          

 FLUORINE     (9s,5p,1d) -> [3s,2p,1d]                          

 NEON         (9s,5p,1d) -> [3s,2p,1d]                          

 SODIUM       (12s,6p,1d) -> [4s,3p,1d]                         

 MAGNESIUM    (12s,6p,1d) -> [4s,3p,1d]                         

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

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

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

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

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

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

 POTASSIUM    (15s,9p,1d) -> [5s,4p,1d]                         

 CALCIUM      (15s,9p,5d) -> [5s,4p,2d]                         

 SCANDIUM     (15s,9p,5d) -> [5s,3p,2d]                         

 TITANIUM     (15s,9p,5d) -> [5s,3p,2d]                         

 VANADIUM     (15s,9p,5d) -> [5s,3p,2d]                         

 CHROMIUM     (15s, 9p,5d) -> [5s,3p,2d]                        

 MANGANESE    (15s, 9p,5d) -> [5s,3p,2d]                        

 IRON         (15s, 9p,5d) -> [5s,3p,2d]                        

 COBALT       (15s, 9p,5d) -> [5s,3p,2d]                        

 NICKEL       (15s, 9p,5d) -> [5s,3p,2d]                        

 COPPER       (15s, 9p,5d) -> [5s,3p,2d]                        

 ZINC         (15s, 9p,5d) -> [5s,3p,2d]                        

 GALLIUM      (15s,11p,5d) -> [5s,4p,2d]                        

 GERMANIUM    (15s,11p,5d) -> [5s,4p,2d]                        

 ARSENIC      (15s,11p,5d) -> [5s,4p,2d]                        

 SELENIUM     (15s,11p,5d) -> [5s,4p,2d]                        

 BROMINE      (15s,11p,5d) -> [5s,4p,2d]                        

 KRYPTON      (15s,11p,5d) -> [5s,4p,2d]                        

 RUBIDIUM     (18s,12p,6d) -> [6s,5p,2d]                        

 STRONTIUM    (18s,12p,9d) -> [6s,5p,3d]                        

 YTTRIUM      (18s,12p,9d) -> [6s,5p,3d]                        

 ZIRCONIUM    (18s,12p,9d) -> [6s,5p,3d]                        

 NIOBIUM      (18s,12p,9d) -> [6s,5p,3d]                        

 MOLYBDENUM   (18s,12p,9d) -> [6s,5p,3d]                        

 TECHNETIUM   (18s,12p,9d) -> [6s,5p,3d]                        

 RUTHENIUM    (18s,11p) -> [6s,5p]                              

 RHODIUM      (18s,12p,9d) -> [6s,5p,3d]                        

 PALLADIUM    (18s,11p) -> [6s,5p]                              

 SILVER       (18s,12p,9d) -> [6s,5p,3d]                        

 CADMIUM      (18s,12p,9d) -> [6s,5p,3d]                        

 INDIUM       (18s,14p,9d) -> [6s,5p,3d]                        

 TIN          (18s,14p,9d) -> [6s,5p,3d]                        

 ANTIMONY     (18s,14p,9d) -> [6s,5p,3d]                        

 TELLERIUM    (18s,14p,9d) -> [6s,5p,3d]                        

 IODINE       (18s,14p,9d) -> [6s,5p,3d]                        

 XENON        (18s,14p,9d) -> [6s,5p,3d]