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	hartrees
Energy at 0K	-207.582178
Energy at 298.15K	-207.581977
HF Energy	-207.582178
Nuclear repulsion energy	6.239978

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.464
Mg2	0.000	0.000	0.616

	Li1	Mg2
Li1		3.0802
Mg2	3.0802

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.005
2	Mg	-0.005

	x	y	z	Total
	0.000	0.000	-1.229	1.229
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/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>	34.288
(<r²>)^1/2	5.856