Table 3.

Bader charges and atomic volumes

Atoms	Q(e)	V(Å3)	Atoms	Q(e)	V(Å3)
S1	2.364	54.74	C11	− 0.011	72.05
O1	− 1.267	111.18	C12	0.014	69.36
O2	− 1.267	111.19	H1	0.064	35.25
N1	− 1.074	97.69	H2	0.016	37.58
N2	− 1.072	97.67	H3	0.016	37.59
C1	− 0.155	68.12	H4	0.064	35.26
C2	0.014	69.36	H5	0.064	35.23
C3	− 0.011	71.99	H6	0.016	37.62
C4	0.404	54.69	H7	0.016	37.62
C5	− 0.011	72.01	H8	0.064	35.22
C6	0.014	69.36	H9	0.374	23.84
C7	− 0.155	68.09	H10	0.374	23.83
C8	0.014	69.33	H11	0.373	23.86
C9	− 0.011	72.02	H12	0.373	23.86
C10	0.402	54.68