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	hartrees
Energy at 0K	-2553.730650
Energy at 298.15K
HF Energy	-2553.730650
Nuclear repulsion energy	27.079587

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.890
Br2	0.000	0.000	0.162

	Li1	Br2
Li1		2.0519
Br2	2.0519

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.049
2	Br	-0.049

	x	y	z	Total
	0.000	0.000	-3.627	3.627
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/STO-3G

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>	22.427
(<r²>)^1/2	4.736