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	hartrees
Energy at 0K	-597.254342
Energy at 298.15K	-597.254402
HF Energy	-597.079945
Nuclear repulsion energy	47.142398

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.232
S2	0.000	0.000	0.924

	Mg1	S2
Mg1		2.1552
S2	2.1552

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

using model chemistry: MP2=FULL/6-31G*

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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