TABLE V.

Parameters of the A_CC model. The partial charges q₀ and charge flows dq are in atomic units. The displacements v_x, v_y, and v_z are in the unit of the vibrational amplitude, 0.031 70 Å.

Atom	q0	dq	vx	vy	vz
N1	−0.349 67	−0.000 40	0.262	−0.134	−0.008
C2	0.240 50	0.000 88	−0.210	0.324	0.007
N3	−0.307 16	0.008 06	0.081	−0.133	−0.002
C4	0.184 78	0.000 50	−0.337	0.082	0.010
C5	−0.106 01	0.004 86	0.317	−0.384	−0.010
C6	0.343 62	0.000 90	−0.308	0.330	0.011
N6	−0.006 06	−0.014 80	0.094	−0.089	−0.013