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	hartrees
Energy at 0K	-2581.389540
Energy at 298.15K
HF Energy	-2581.313504
Nuclear repulsion energy	25.481377

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.008
Br2	0.000	0.000	0.172

	Li1	Br2
Li1		2.1806
Br2	2.1806

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.381
2	Br	-0.381

	x	y	z	Total
	0.000	0.000	-7.112	7.112
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/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>	23.605
(<r²>)^1/2	4.859