Molecular Orbital Constants for Sulfur tetrafluoride (SF4)
MO B (eV) U (eV) N Q DblIon Special Remarks
1a1 2512.56 3297.40 2 Yes none none
1b2 718.72 1013.45 2 Yes none none
2a1 718.72 1013.45 2 Yes none none
3a1 716.17 1013.45 2 Yes none none
1b1 716.17 1013.45 2 Yes none none
4a1 252.84 510.40 2 Yes none none
2b2 189.72 478.55 2 Yes none none
2b1 189.72 478.74 2 Yes none none
5a1 189.62 479.44 2 Yes none none
6a1 48.97 92.90 2 Yes none none
3b2 46.94 105.15 2 Yes none none
3b1 44.46 101.99 2 Yes none none
7a1 43.96 107.55 2 Yes none none
8a1 29.41 93.61 2 Yes none none
4b2 23.97 83.24 2 No none none
4b1 23.80 79.70 2 No none none
9a1 23.37 73.23 2 No none none
1a2 21.91 80.25 2 No none none
5b2 20.25 90.00 2 No none none
10a1 20.24 84.97 2 No none none
5b1 20.13 83.48 2 No none none
6b2 18.29 87.25 2 No none none
11a1 18.29 87.40 2 No none none
6b1 18.03 92.68 2 No none none
2a2 17.84 93.16 2 No none none
12a1 12.82 85.04 2 No none B from CCSD(T)