EMSL Basis Set Library
Generated Tue Jun 25 22:32:32 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).
!
NITROGEN ! (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
S 9
1 45840.00000 0.9200000000E-04
2 6868.000000 0.7170000000E-03
3 1563.000000 0.3749000000E-02
4 442.4000000 0.1553200000E-01
5 144.3000000 0.5314600000E-01
6 52.18000000 0.1467870000
7 20.34000000 0.3046630000
8 8.381000000 0.3976840000
9 3.529000000 0.2176410000
S 9
1 45840.00000 -0.2000000000E-04
2 6868.000000 -0.1590000000E-03
3 1563.000000 -0.8240000000E-03
4 442.4000000 -0.3478000000E-02
5 144.3000000 -0.1196600000E-01
6 52.18000000 -0.3538800000E-01
7 20.34000000 -0.8007700000E-01
8 8.381000000 -0.1467220000
9 3.529000000 -0.1163600000
S 1
1 1.054000000 1.000000000
S 1
1 0.4118000000 1.000000000
S 1
1 0.1552000000 1.000000000
P 3
1 49.33000000 0.5533000000E-02
2 11.37000000 0.3796200000E-01
3 3.435000000 0.1490280000
P 1
1 1.182000000 1.000000000
P 1
1 0.4173000000 1.000000000
P 1
1 0.1428000000 1.000000000
D 1
1 2.837000000 1.000000000
D 1
1 0.9680000000 1.000000000
D 1
1 0.3350000000 1.000000000
F 1
1 2.027000000 1.000000000
F 1
1 0.6850000000 1.000000000
G 1
1 1.427000000 1.000000000
NITROGEN ! Diffuse (1s,1p,1d,1f,1g)
S 1
1 0.546400000E-01 1.00000000
P 1
1 0.440200000E-01 1.00000000
D 1
1 0.111000000 1.00000000
F 1
1 0.245000000 1.00000000
G 1
1 0.559000000 1.00000000
