Table 5.

Charges, RRMS, and Molecular Dipole/Quadrupole Moments of N-Methyl Acetamide (NMA) Fitted with Three Electrostatic Models^a

	RESP	RESP-ind	RESP-perm	QM
		Charges/a.u.
C1	−0.4202	−0.3524	−0.4778
H1	0.1113	0.1422	0.1347
C	0.6515	1.1283	1.0510
O	−0.5297	−0.9953	−0.8081
N	−0.4249	−1.1062	−0.5250
H	0.2848	0.6127	0.2715
C2	−0.3419	−0.1267	−0.1219
H2	0.1488	0.1377	0.0687
		RRMS
	0.1029	0.0812	0.0786
	Dipole Moments/Debye
μ	3.8335	3.6657	3.6502	3.8004
	Quadrupole Moments/Debye Angstroms
Qxx	3.6515	3.1427	3.4849	3.6815
Qyy	−0.7200	−0.3841	−0.6802	−0.7850
Qzz	−2.9315	−2.7586	−2.8047	−2.8965

^aSee Table 1 for notation.