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	hartrees
Energy at 0K	-597.291379
Energy at 298.15K	-597.291400
Nuclear repulsion energy	46.487118

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.249
S2	0.000	0.000	0.937

	Mg1	S2
Mg1		2.1856
S2	2.1856

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

using model chemistry: QCISD/cc-pVDZ

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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