Startseite    

EMSL Basis Set Library
Generated Fri Mar 1 06:26:03 PST 2002

!
! BASIS="DZ + Double Rydberg (Dunning-Hay)"
!T.H. DUNNING, JR., J. CHEM. PHYS. 53, 2823 (1970).                            
! T.H. DUNNING, JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY,   
! VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977).                         
!T.H. DUNNING, JR. AND P.J. HARRISON, IN MODERN THEORETICAL CHEMISTRY, VOL.2   
!  ED. H.F. SCHAEFER III (PLENUM PRESS, NEW YORK, 1977).
!
HYDROGEN     ! (4s) -> [2s]                                      
 S   3
  1        19.24060000         0.3282800000E-01
  2        2.899200000         0.2312080000    
  3       0.6534000000         0.8172380000    
 S   1
  1       0.1776000000          1.000000000