EMSL Basis Set Library
Generated Tue Jun 25 22:30:51 PDT 2002
!
! BASIS="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).
!
OXYGEN ! (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
S 9
1 61420.00000 0.9000000000E-04
2 9199.000000 0.6980000000E-03
3 2091.000000 0.3664000000E-02
4 590.9000000 0.1521800000E-01
5 192.3000000 0.5242300000E-01
6 69.32000000 0.1459210000
7 26.97000000 0.3052580000
8 11.10000000 0.3985080000
9 4.682000000 0.2169800000
S 9
1 61420.00000 -0.2000000000E-04
2 9199.000000 -0.1590000000E-03
3 2091.000000 -0.8290000000E-03
4 590.9000000 -0.3508000000E-02
5 192.3000000 -0.1215600000E-01
6 69.32000000 -0.3626100000E-01
7 26.97000000 -0.8299200000E-01
8 11.10000000 -0.1520900000
9 4.682000000 -0.1153310000
S 1
1 1.428000000 1.000000000
S 1
1 0.5547000000 1.000000000
S 1
1 0.2067000000 1.000000000
P 3
1 63.42000000 0.6044000000E-02
2 14.66000000 0.4179900000E-01
3 4.459000000 0.1611430000
P 1
1 1.531000000 1.000000000
P 1
1 0.5302000000 1.000000000
P 1
1 0.1750000000 1.000000000
D 1
1 3.775000000 1.000000000
D 1
1 1.300000000 1.000000000
D 1
1 0.4440000000 1.000000000
F 1
1 2.666000000 1.000000000
F 1
1 0.8590000000 1.000000000
G 1
1 1.846000000 1.000000000
OXYGEN ! Diffuse (1s,1p,1d,1f,1g)
S 1
1 0.695900000E-01 1.00000000
P 1
1 0.534800000E-01 1.00000000
D 1
1 0.154000000 1.00000000
F 1
1 0.324000000 1.00000000
G 1
1 0.714000000 1.00000000
