Molecular Orbital Constants for Hydroperoxyl (HO2)

MO	B (eV)	U (eV)	N	Q	DblIon	Special	Remarks
1a'greek:alpha	563.1	793.52	1	1	Yes	none	none
2a'greek:alpha	562.63	794.31	1	1	Yes	none	none
1a'greek:beta	562.43	794.62	1	1	Yes	none	none
2a'greek:beta	561.97	795.64	1	1	Yes	none	none
3a'greek:alpha	43.02	74.6	1	1	Yes	none	none
3a'greek:beta	41.29	71.78	1	1	Yes	none	none
4a'greek:alpha	28.85	85.88	1	1	No	none	B from OVGF
4a'greek:beta	27.45	80.99	1	1	No	none	B from OVGF
5a'greek:alpha	19.46	57.55	1	1	No	none	B from OVGF
5a'greek:beta	19.01	57.35	1	1	No	none	B from OVGF
1a"greek:alpha	17.3	64.42	1	1	No	none	B from OVGF
6a'greek:alpha	17.27	66.74	1	1	No	none	B from OVGF
6a'greek:beta	16.7	66.31	1	1	No	none	B from OVGF
1a"greek:beta	14.77	58.38	1	1	No	none	B from OVGF
7a'greek:alpha	12.5	73.07	1	1	No	none	B from OVGF
2a"greek:alpha	12.29	77.5	1	1	No	none	B from OVGF
7a'greek:beta	11.35	71.24	1	1	No	none	B from CCSD(T)