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	hartrees
Energy at 0K	-467.851631
Energy at 298.15K	-467.851659
HF Energy	-467.851631
Nuclear repulsion energy	13.157755

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.743
Cl2	0.000	0.000	0.308

	Li1	Cl2
Li1		2.0511
Cl2	2.0511

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.621
2	Cl	-0.621

	x	y	z	Total
	0.000	0.000	-7.314	7.314
CHELPG
AIM
ESP

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

using model chemistry: B1B95/TZVP

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>	17.966
(<r²>)^1/2	4.239