Molecular Orbital Constants for Formaldehyde (CH2O)
MO B (eV) U (eV) N Q DblIon Special Remarks
1a1 560.04 794.47 2 Yes none none
2a1 308.79 436.04 2 Yes none none
3a1 38.38 73.38 2 Yes none none
4a1 21.71 44.02 2 No none B from OVGF
1b2 17.19 36.50 2 No none B from OVGF
5a1 16.24 60.83 2 No none B from OVGF
1b1 14.47 47.36 2 No none B from OVGF
2b2 10.81 54.70 2 No none B from CCSD(T)