. 2018 Dec 13;3(12):17199–17211. doi: 10.1021/acsomega.8b03006

Table 1. Natural Charges (q, |e|) on Mg and N Atoms; Wiberg Bond Indices (WBIs) for the Mg–Mg and Mg–N Bonds in 1^a.

complex	q (Mg)	q (N)	WBI (Mg–Mg)	WBI (Mg–N)
Mg₂EP	1.01 (1.01)	–0.80 (−0.88)	0.647 (0.709)	0.081 (0.067)

The values without and within parenthesis represent the results obtained at M06-2X-D3/6-311+G(d,p) and MP2/av(D+T)z levels, respectively.

Table 1. Natural Charges (q, |e|) on Mg and N Atoms; Wiberg Bond Indices (WBIs) for the Mg–Mg and Mg–N Bonds in 1a.