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	hartrees
Energy at 0K	-107.358802
Energy at 298.15K	-107.358865
HF Energy	-107.284121
Nuclear repulsion energy	8.979575

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.398
Li2	0.000	0.000	-1.193

	F1	Li2
F1		1.5911
Li2	1.5911

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.649
2	Li	0.649

	x	y	z	Total
	0.000	0.000	-6.400	6.400
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/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>	9.073
(<r²>)^1/2	3.012