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	hartrees
Energy at 0K	-2576.418391
Energy at 298.15K	-2576.421323
Nuclear repulsion energy	25.853207

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.980
Br2	0.000	0.000	0.170

	Li1	Br2
Li1		2.1492
Br2	2.1492

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.326
2	Br	-0.326

	x	y	z	Total
	0.000	0.000	-6.533	6.533
CHELPG
AIM
ESP

All results from a given calculation for LiBr (Lithium Bromide)

using model chemistry: LSDA/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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<r²>	0.000
(<r²>)^1/2	0.000