Table 4.

Calculated Mullikan atomic charges of HDZPA.

Atom	Mulliken Charge
C1	- 0.1602500
C2	- 0.2060730
C3	0.2726000
C4	- 0.1716900
C5	- 0.1688970
C6	- 0.0401750
H7	0.1619580
H8	0.1675950
H9	0.1784940
H10	0.1600150
C11	- 0.3415360
H12	0.1276730
H13	0.1287390
H14	0.1330520
N15	- 0.5272320
H16	0.3072080
N17	- 0.4714520
C18	- 0.2857870
H19	0.1834720
H20	0.1942020
C21	- 0.2843220
H22	0.1780410
H23	0.1889790
P24	1.5113980
O25	- 0.7163540
H26	0.4000000
O27	- 0.7174640
H28	0.4056340
O29	- 0.7042910
O30	- 0.6919460
H31	0.4038440
O32	- 0.7710550
O33	- 0.7617180
H34	0.4031740
P35	1.5141630