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	hartrees
Energy at 0K	-207.536585
Energy at 298.15K	-207.536350
HF Energy	-207.536585
Nuclear repulsion energy	6.150504

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.478
Mg2	0.000	0.000	0.619

	Li1	Mg2
Li1		3.0974
Mg2	3.0974

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.002
2	Mg	-0.002

	x	y	z	Total
	0.000	0.000	-0.858	0.858
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/cc-pVTZ

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>	35.098
(<r²>)^1/2	5.924