Table 11.

Reactivity indexes $\Delta {\omega }_i^{\left(NBO\right)}$(a.u.) of the NBOs of the product obtained through the TSOC. Partial occupations and orbital energies have also been included. The bold values are the most remarkable.

Level	NBO	Occupancy	Energy (a.u.)	$\Delta {\omega }_i^{\left(NBO\right)}$ (a.u.)	Type
34	20	1.9909	-0.3698	0.0041	BD C17–O18
35	36	1.8047	-0.3150	0.0003	LP O16
36	2	1.9428	-0.2762	-0.0058	BD C1–C2
37	8	1.9216	-0.2720	-0.0068	BD C3–C4
38	38	1.8453	-0.2430	-0.0034	LP O18
39	206	0.2050	0.0197	0.0005	BD C17–O18
40	194	0.0803	0.0545	0.0056	BD C3–C4
41	188	0.0591	0.0576	0.0049	BD C1–C2
42	203	0.0277	0.2684	0.0004	BD C13–O16
43	204	0.1072	0.3675	-0.0003	BD O16–C17
44	207	0.0625	0.3695	0.0002	BD C17–C19
45	200	0.0189	0.3742	0.0003	BD C10–C13