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	hartrees
Energy at 0K	-467.819073
Energy at 298.15K	-467.819101
HF Energy	-467.819073
Nuclear repulsion energy	13.128312

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.747
Cl2	0.000	0.000	0.308

	Li1	Cl2
Li1		2.0557
Cl2	2.0557

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.423
2	Cl	-0.423

	x	y	z	Total
	0.000	0.000	-7.163	7.163
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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>	18.121
(<r²>)^1/2	4.257