Table 6. NBO-B3LYP/6-311++G**Z-Calculated Molecular Dipole Moment Contributions in Terms of Natural Bond Orbital Contributions (μ, in Debye) for the Equatorial and Axial Conformations of Compounds 1–3.

	NBO-B3LYP/6-311++G**
	1		2		3
	ax	eq	ax	eq	ax	eq
μ(total)	5.10	6.91	6.07	8.05	7.77	10.31
	0.00	1.81	0.00	1.98	0.00	2.54
μ(N–Hax)	0.50		0.50		0.49
μ(C–X)	2.08		0.87		0.60
μ(LP1X)	2.27		2.91		2.86
μ(LP2X)	0.27		0.58		0.63
μ(LP3X)	0.19		0.28		0.18