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
C2-C3	σ	1.9753	1.9737	C2-O6	σ*	0.0120	0.0123	0.89	0.83	1.20	1.25	0.029	0.029
C2-C3	σ	1.9753	1.9737	C3-C4	σ*	0.0199	0.1286	2.91	3.34	1.25	1.29	0.054	0.059
C3-C4	σ	1.9727	1.9719	C2-C3	σ*	0.0723	0.0677	2.12	1.80	1.30	1.19	0.047	0.042
C3-C4	σ	1.9727	1.9719	C4-C5	σ*	0.0250	0.0253	1.05	1.46	1.24	1.16	0.032	0.037
C4-C5	σ	1.9738	1.9725	C1-C2	σ*	0.0747	0.0703	0.77	0.91	1.01	1.01	0.025	0.027
C4-C5	σ	1.9738	1.9725	C1-C5	σ*	0.0148	0.0156	0.70	1.02	1.01	1.01	0.024	0.029
C2-O6	σ	1.9951	1.9955	C2-C3	σ*	0.0723	0.0677	0.92	0.69	1.55	1.54	0.034	0.030
C2-O6	π	1.9797	1.9799	C3-C4	π*	0.0199	0.1286	3.42	3.52	0.40	0.42	0.034	0.035