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	hartrees
Energy at 0K	-591.306789
Energy at 298.15K	-591.306906
Nuclear repulsion energy	51.173850

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.135
S2	0.000	0.000	0.851

	Mg1	S2
Mg1		1.9854
S2	1.9854

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Mg	0.518
2	S	-0.518

	x	y	z	Total
	0.000	0.000	-6.454	6.454
CHELPG
AIM
ESP

All results from a given calculation for MgS (magnesium sulfide)

using model chemistry: B1B95/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	36.875
(<r²>)^1/2	6.072