Molecular Orbital Constants for Propene (C3H6)

MO	B (eV)	U (eV)	N	Q	DblIon	Special	Remarks
1a'	305.79	436.13	2	1	Yes	none	none
2a'	305.45	436.14	2	1	Yes	none	none
3a'	305.34	436.15	2	1	Yes	none	none
4a'	28.97	38.93	2	1	Yes	none	none
5a'	22.58	37.25	2	1	No	none	B from OVGF
6a'	18.68	32.93	2	1	No	none	B from OVGF
7a'	15.90	27.01	2	1	No	none	B from OVGF
8a'	14.57	32.04	2	1	No	none	B from OVGF
1a"	14.50	25.17	2	1	No	none	B from OVGF
9a'	13.29	31.14	2	1	No	none	B from OVGF
10a'	12.36	31.12	2	1	No	none	B from OVGF
2a"	9.95	27.25	2	1	No	none	B from CCSD(T)