Molecular Orbital Constants for Dichloro-fluoromethane (CHCl2F)

MO	B (eV)	U (eV)	N	Q	DblIon	Special	Remarks
1a"	2853.59	3731.11	2	1	Yes	none	none
1a'	2853.59	3731.11	2	1	Yes	none	none
2a'	717.06	1013.44	2	1	Yes	none	none
3a'	312.18	436.49	2	1	Yes	none	none
2a"	288.27	593.33	2	1	Yes	none	none
4a'	288.27	593.34	2	1	Yes	none	none
3a"	219.38	560.82	2	1	Yes	none	none
5a'	219.38	560.81	2	1	Yes	none	none
4a"	219.29	561.87	2	1	Yes	none	none
6a'	219.29	561.87	2	1	Yes	none	none
5a"	219.29	561.88	2	1	Yes	none	none
7a'	219.29	561.88	2	1	Yes	none	none
8a'	45.62	99.15	2	1	Yes	none	none
9a'	32.63	67.9	2	1	Yes	3s	none
6a"	30.46	79.5	2	1	No	3s	none
10a'	22.7	68.93	2	1	No	none 	B from OVGF
11a'	19.22	61.02	2	1	No	none 	B from OVGF
7a"	17.96	76.43	2	1	No	none	B from OVGF
12a'	17.9	72.25	2	1	No	none	B from OVGF
13a'	14.95	63.9	2	1	No	none 	B from OVGF
8a"	14.39	67.97	2	1	No	3p	B from OVGF
14a'	12.97	62.05	2	1	No	3p	B from expt
9a"	12.37	64.22	2	1	No	3p	B from expt
15a'	12.12	60.31	2	1	No	3p	B from expt
10a"	11.92	66.07	2	1	No	3p	B from expt