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	hartrees
Energy at 0K	-399.362845
Energy at 298.15K	-399.362527
HF Energy	-399.225269
Nuclear repulsion energy	20.064438

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	1.899
Mg2	0.000	0.000	-1.899

	Mg1	Mg2
Mg1		3.7980
Mg2	3.7980

All results from a given calculation for Mg₂ (Magnesium diatomic)

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

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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All results from a given calculation for Mg2 (Magnesium diatomic)

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for Mg₂ (Magnesium diatomic)