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	hartrees
Energy at 0K	-205.903403
Energy at 298.15K	-205.903124
HF Energy	-205.869370
Nuclear repulsion energy	6.117807

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.491
Mg2	0.000	0.000	0.623

	Li1	Mg2
Li1		3.1139
Mg2	3.1139

All results from a given calculation for LiMg (Lithium magnesium)

using model chemistry: CCD/3-21G*

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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