MOLPRO Basis Query, basis=cc-pVQZ-DK

 Generated from cc_pvqz_dk.bas at Fri Nov 15 11:21:31 GMT 2002

  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)
In-Xe, Tl-Rn : D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)
K-Ca, Rb-Sr: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017).

Original basis sets:                                                          

 HYDROGEN     (6s,3p,2d,1f) -> [4s,3p,2d,1f]                    

 HELIUM       (7s,3p,2d,1f) -> [4s,3p,2d,1f]                    

 BORON        (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]             

 CARBON       (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]             

 NITROGEN     (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]             

 OXYGEN       (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]             

 FLUORINE     (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]             

 NEON         (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]             

 ALUMINUM     (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]            

 SILICON      (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]            

 PHOSPHORUS   (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]            

 SULFUR       (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]            

 CHLORINE     (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]            

 ARGON        (16s,11p,3d,2f,1g) -> [6s,5p,3d,2f,1g]            

 GALLIUM      (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]           

 GERMANIUM    (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]           

 ARSENIC      (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]           

 SELENIUM     (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]           

 BROMINE      (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]           

 KRYPTON      (21s,16p,12d,2f,1g) -> [7s,6p,4d,2f,1g]