Table 1.

Heats of formation of intermediates and transition states, relative to the starting system (kcal mol⁻¹)

Step	ΔHf	Transition state	ΔHf	Barrier height
1	0.00	1 → 2	+17.93	17.93
2	−2.54	2 → 3	+17.58	20.12
3	−4.83	1 → 3	+35.86	35.86
4	+4.29	4 → 5	+13.97	9.68
5	+4.60	5 → 6	+20.36	15.76
6	−5.70