Table 3.

Composition of H-bonded NBOs in terms of natural atomic hybrids.

Bond (A-B)	DS/DP							DPDS
	EDA %	EDB %	spn	A		B		EDA %	EDB %	spn	A		B
				s%	p%	s%	p%				s%	p%	s%	p%
C13-O15	66.79	33.21	sp2.41	25.08	74.72	35.03	64.90	66.74	33.26	sp2.16	29.31	70.49	34.35	65.57
C18-N19	59.35	40.65	sp1.97	29.61	70.28	38.85	61.06	61.19	38.81	sp1.94	28.75	71.15	41.25	58.69
N19- N20	45.30	54.70	sp2.86	30.59	69.33	22.39	77.46	47.24	52.76	sp2.85	22.96	76.92	29.83	70.09