Donors (i)	Type	ED (e)		Acceptors (j)	Type	ED (e)		E² (kcal mol⁻¹)		$ε_{i} - ε_{j}$ (a.u)		$F_{i, j}$ (a.u)
Donors (i)	Type	Non-compl	compl	Acceptors (j)	Type	Non-compl	compl	Non-compl	compl	Non-compl	compl	Non-compl	compl
C1-C6	σ	1.9777	1.9780	C1-C2	σ*	0.0195	0.0193	2.26	2.19	1.17	1.16	0.046	0.045
C1-C6	σ	1.9777	1.9780	C5-C6	σ*	0.0313	0.0309	3.27	2.41	0.81	1.13	0.046	0.047
C9-C10	σ	1.9733	1.9733	C4-C5	σ*	0.0228	0.0228	1.99	2.04	1.00	1.00	0.040	0.040
C9-C10	σ	1.9733	1.9733	C4-C9	σ*	0.0175	0.0175	0.97	0.97	1.00	1.01	0.028	0.028
C10-C11	σ	1.9717	1.9726	C8-C11	σ*	0.0666	0.0634	3.25	2.88	1.23	1.22	0.057	0.053
C10-C11	σ	1.9717	1.9726	C8-O21	σ*	0.0102	0.0110	1.95	2.39	1.36	1.33	0.046	0.051
C8-O21	σ	1.9934	1.9931	C3-C4	σ*	0.0282	0.0278	0.52	0.60	1.45	1.44	0.025	0.026
C8-O21	σ	1.9934	1.9931	C3-C8	σ*	0.0653	0.0608	3.32	0.94	0.42	1.46	0.034	0.034
C8-O21	π	1.9720	1.9716	C10-C11	π*	0.0262	0.0251	5.16	4.70	0.42	0.42	0.042	0.041