Figure 1. Orbital correlations (AM1) for conversion of 3 to 1 (R=H)

Energy eV	3 (R=H)	Symmetry		1 (R=H)	Energy
3.2		4b1	11a		2.1
2.0		3a2	10b		2.0
-0.8		3b1	10a		0.0
-1.0		2a2	9b		-0.1
-7.6		8a1	9a		-8.7
-10.1		2b1	8b		-10.3
-10.8		1a2	8a		-10.3
-11.9		6b2	7b		-11.7
-13.2		7a1	7a		-12.8
-13.4		5b2	6b		-13.3
-13.7		1b1	5b		-14.4