EMSL Basis Set Library
Generated Fri Mar 1 06:18:38 PST 2002
!
! BASIS="d-aug-cc-pVQZ"
!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 - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
!Na - Mg: D.E. Woon and T.H. Dunning, Jr. (to be published)
!Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
!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).
! B - F: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys.
! 96, 6769 (1992).
! Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
!Elements References
! -------- ---------
! H - He: D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
! B - F:
! Al - Cl:
!
HYDROGEN ! (6s,3p,2d,1f) -> [4s,3p,2d,1f]
S 3
1 82.64000000 0.2006000000E-02
2 12.41000000 0.1534300000E-01
3 2.824000000 0.7557900000E-01
S 1
1 0.7977000000 1.000000000
S 1
1 0.2581000000 1.000000000
S 1
1 0.8989000000E-01 1.000000000
P 1
1 2.292000000 1.000000000
P 1
1 0.8380000000 1.000000000
P 1
1 0.2920000000 1.000000000
D 1
1 2.062000000 1.000000000
D 1
1 0.6620000000 1.000000000
F 1
1 1.397000000 1.000000000
HYDROGEN ! Diffuse (1s,1p,1d,1f)
S 1
1 0.236300000E-01 1.00000000
P 1
1 0.848000000E-01 1.00000000
D 1
1 0.190000000 1.00000000
F 1
1 0.360000000 1.00000000
HYDROGEN ! Diffuse (1s,1p,1d,1f)
S 1
1 0.621000000E-02 1.00000000
P 1
1 0.246000000E-01 1.00000000
D 1
1 0.545000000E-01 1.00000000
F 1
1 0.928000000E-01 1.00000000