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	hartrees
Energy at 0K	-467.601362
Energy at 298.15K	-467.601397
HF Energy	-467.601362
Nuclear repulsion energy	13.312833

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.723
Cl2	0.000	0.000	0.304

	Li1	Cl2
Li1		2.0272
Cl2	2.0272

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.342
2	Cl	-0.342

	x	y	z	Total
	0.000	0.000	-6.720	6.720
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/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>	17.940
(<r²>)^1/2	4.236