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)