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	hartrees
Energy at 0K	-107.471557
Energy at 298.15K	-107.471626
HF Energy	-107.471557
Nuclear repulsion energy	9.091132

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.393
Li2	0.000	0.000	-1.179

	F1	Li2
F1		1.5716
Li2	1.5716

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.680
2	Li	0.680

	x	y	z	Total
	0.000	0.000	-6.225	6.225
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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>	8.893
(<r²>)^1/2	2.982