EMSL Basis Set Library
Generated Thu Jun 20 06:15:11 PDT 2002
!
! BASIS="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).
!
SODIUM ! (19s,12p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
S 16
1 1224000.000 0.4788940000E-05
2 183200.0000 0.3723950000E-04
3 41700.00000 0.1958310000E-03
4 11810.00000 0.8266980000E-03
5 3853.000000 0.3002510000E-02
6 1391.000000 0.9703100000E-02
7 542.5000000 0.2823370000E-01
8 224.9000000 0.7320580000E-01
9 97.93000000 0.1628970000
10 44.31000000 0.2887080000
11 20.65000000 0.3468290000
12 9.729000000 0.2068650000
13 4.228000000 0.3280090000E-01
14 1.969000000 -0.6477360000E-03
15 0.8890000000 0.1458780000E-02
16 0.3964000000 -0.1783460000E-03
S 16
1 1224000.000 -0.1169580000E-05
2 183200.0000 -0.9091100000E-05
3 41700.00000 -0.4784990000E-04
4 11810.00000 -0.2019620000E-03
5 3853.000000 -0.7358370000E-03
6 1391.000000 -0.2387460000E-02
7 542.5000000 -0.7049690000E-02
8 224.9000000 -0.1878560000E-01
9 97.93000000 -0.4461530000E-01
10 44.31000000 -0.8977410000E-01
11 20.65000000 -0.1429400000
12 9.729000000 -0.1243150000
13 4.228000000 0.9996480000E-01
14 1.969000000 0.4170800000
15 0.8890000000 0.4751230000
16 0.3964000000 0.1632680000
S 16
1 1224000.000 0.1758710000E-06
2 183200.0000 0.1365940000E-05
3 41700.00000 0.7197950000E-05
4 11810.00000 0.3033490000E-04
5 3853.000000 0.1107520000E-03
6 1391.000000 0.3585960000E-03
7 542.5000000 0.1062720000E-02
8 224.9000000 0.2826870000E-02
9 97.93000000 0.6767420000E-02
10 44.31000000 0.1364800000E-01
11 20.65000000 0.2228140000E-01
12 9.729000000 0.1960110000E-01
13 4.228000000 -0.1677080000E-01
14 1.969000000 -0.7737340000E-01
15 0.8890000000 -0.1135010000
16 0.3964000000 -0.1391300000
S 1
1 0.6993000000E-01 1.000000000
S 1
1 0.3289000000E-01 1.000000000
S 1
1 0.1612000000E-01 1.000000000
P 9
1 413.4000000 0.9081960000E-03
2 97.98000000 0.7417730000E-02
3 31.37000000 0.3574640000E-01
4 11.62000000 0.1185200000
5 4.671000000 0.2614030000
6 1.918000000 0.3783950000
7 0.7775000000 0.3346320000
8 0.3013000000 0.1268440000
9 0.2275000000 -0.1471170000E-01
P 9
1 413.4000000 -0.9017410000E-04
2 97.98000000 -0.7393420000E-03
3 31.37000000 -0.3573090000E-02
4 11.62000000 -0.1201420000E-01
5 4.671000000 -0.2671780000E-01
6 1.918000000 -0.3927530000E-01
7 0.7775000000 -0.3760830000E-01
8 0.3013000000 -0.4332280000E-01
9 0.2275000000 0.5180030000E-01
P 1
1 0.7527000000E-01 1.000000000
P 1
1 0.3126000000E-01 1.000000000
P 1
1 0.1342000000E-01 1.000000000
D 1
1 0.1538000000 1.000000000
D 1
1 0.8650000000E-01 1.000000000
D 1
1 0.4870000000E-01 1.000000000
F 1
1 0.1912000000 1.000000000
F 1
1 0.1036000000 1.000000000
G 1
1 0.1722000000 1.000000000
