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	hartrees
Energy at 0K	-467.691923
Energy at 298.15K
HF Energy	-467.609737
Nuclear repulsion energy	13.337677

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.720
Cl2	0.000	0.000	0.304

	Li1	Cl2
Li1		2.0234
Cl2	2.0234

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.392
2	Cl	-0.392

	x	y	z	Total
	0.000	0.000	-7.035	7.035
CHELPG
AIM
ESP

All results from a given calculation for LiCl (lithium chloride)

using model chemistry: B2PLYP=FULLultrafine/aug-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>	17.919
(<r²>)^1/2	4.233