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	hartrees
Energy at 0K	-10.941983
Energy at 298.15K	-10.941985
Nuclear repulsion energy	2.855760

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.668
S2	0.000	0.000	0.556

	Mg1	S2
Mg1		2.2236
S2	2.2236

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Mg	0.498
2	S	-0.498

	x	y	z	Total
	0.000	0.000	-8.050	8.050
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/CEP-31G

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>	18.227
(<r²>)^1/2	4.269