Table 19.

Reactivity indexes $\Delta {\omega }_i^{\left(NBO\right)}$(a.u.) of the NBOs of 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
27	28	1.9779	-0.3201	-0.0025	LP Cl9
28	31	1.7877	-0.3155	-0.0002	LP O10
29	29	1.9580	-0.3064	-0.0020	LP Cl9
30	5	1.7427	-0.2580	0.0157	BD C2–C3
31	3	1.7829	-0.2441	0.0082	BD C1–C4
32	134	0.3459	-0.0406	-0.0044	BD C2–C3
33	132	0.2531	0.0318	-0.0050	BD C1–C4
34	136	0.0425	0.1327	-0.0052	BD C2–Cl9
35	141	0.0106	0.2684	-0.0004	BD O10–C11
36	139	0.0381	0.3821	-0.0044	BD C3–O10