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	hartrees
Energy at 0K	-2579.016871
Energy at 298.15K
HF Energy	-2578.937084
Nuclear repulsion energy	25.769151

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.986
Br2	0.000	0.000	0.170

	Li1	Br2
Li1		2.1562
Br2	2.1562

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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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