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	hartrees
Energy at 0K	-107.433445
Energy at 298.15K	-107.433527
HF Energy	-107.433445
Nuclear repulsion energy	9.138172

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.391
Li2	0.000	0.000	-1.173

	F1	Li2
F1		1.5635
Li2	1.5635

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.474
2	Li	0.474

	x	y	z	Total
	0.000	0.000	-5.961	5.961
CHELPG
AIM
ESP

All results from a given calculation for LiF (lithium fluoride)

using model chemistry: B3LYPultrafine/cc-pCVDZ

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>	8.904
(<r²>)^1/2	2.984