Molecular Orbital Constants for Sulfur pentafluoride (SF5)
MO B (eV) U (eV) N Q DblIon Special Remarks
1a1 2514.41 3297.43 2 Yes none none
2a1 718.64 1013.43 2 Yes none none
1b1 717.67 1013.44 2 Yes none none
1e 717.67 1013.45 4 Yes none none
3a1 717.67 1013.46 2 Yes none none
4a1 254.41 510.35 2 Yes none none
5a1 191.33 479.33 2 Yes none none
2e 191.42 478.95 4 Yes none none
6a1 49.60 89.33 2 Yes none none
3e 46.15 102.32 4 Yes none none
7a1 46.20 105.80 2 Yes none none
2b1 44.82 110.03 2 Yes none none
8a1 29.91 96.00 2 No none none
4e 24.73 81.05 4 No none none
9a1 24.20 78.58 2 No none none
1b2 22.17 76.03 2 No none none
5e 21.68 81.06 4 No none none
3b1 20.01 88.13 2 No none none
10a1 19.79 87.08 2 No none none
4b1 19.04 87.96 2 No none none
6e 19.31 91.47 4 No none none
7e 19.05 93.02 4 No none none
1a2 18.35 97.27 2 No none none
11a1 11.70 92.80 1 No none B from CCSD(T)