EMSL Basis Set Library
Generated Wed Apr 24 01:09:49 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).
!
CARBON ! (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
S 9
1 33980.00000 0.9100000000E-04
2 5089.000000 0.7040000000E-03
3 1157.000000 0.3693000000E-02
4 326.6000000 0.1536000000E-01
5 106.1000000 0.5292900000E-01
6 38.11000000 0.1470430000
7 14.75000000 0.3056310000
8 6.035000000 0.3993450000
9 2.530000000 0.2170510000
S 9
1 33980.00000 -0.1900000000E-04
2 5089.000000 -0.1510000000E-03
3 1157.000000 -0.7850000000E-03
4 326.6000000 -0.3324000000E-02
5 106.1000000 -0.1151200000E-01
6 38.11000000 -0.3416000000E-01
7 14.75000000 -0.7717300000E-01
8 6.035000000 -0.1414930000
9 2.530000000 -0.1180190000
S 1
1 0.7355000000 1.000000000
S 1
1 0.2905000000 1.000000000
S 1
1 0.1111000000 1.000000000
P 3
1 34.51000000 0.5378000000E-02
2 7.915000000 0.3613200000E-01
3 2.368000000 0.1424930000
P 1
1 0.8132000000 1.000000000
P 1
1 0.2890000000 1.000000000
P 1
1 0.1007000000 1.000000000
D 1
1 1.848000000 1.000000000
D 1
1 0.6490000000 1.000000000
D 1
1 0.2280000000 1.000000000
F 1
1 1.419000000 1.000000000
F 1
1 0.4850000000 1.000000000
G 1
1 1.011000000 1.000000000
CARBON ! Diffuse (1s,1p,1d,1f,1g)
S 1
1 0.414500000E-01 1.00000000
P 1
1 0.321800000E-01 1.00000000
D 1
1 0.766000000E-01 1.00000000
F 1
1 0.187000000 1.00000000
G 1
1 0.424000000 1.00000000
