Molecular Orbital Constants for Silicon tetrafluoride (SiF4)
MO B (eV) U (eV) N Q DblIon Special Remarks
1a1 1876.92 2510.04 2 1 Yes none none
2a1 717.04 1013.45 2 1 Yes none none
1t2 717.04 1013.44 6 1 Yes none none
3a1 171.63 359.77 2 1 Yes none none
2t2 120.2 332.06 6 1 Yes none none
4a1 45.75 99.63 2 1 Yes none none
3t2 44.77 106.18 6 1 Yes none none
5a1 21.93 82.47 2 1 No none B from OVGF
4t2 19.73 81 6 1 No none B from OVGF
1e 18.15 80.59 4 1 No none B from OVGF
5t2 17.29 84.73 6 1 No none B from CCSD(T)
1t1 16.31 88.76 6 1 No none B from CCSD(T)