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	hartrees
Energy at 0K	-107.467780
Energy at 298.15K	-107.467843
HF Energy	-107.467780
Nuclear repulsion energy	8.940290

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.400
Li2	0.000	0.000	-1.199

	F1	Li2
F1		1.5981
Li2	1.5981

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.743
2	Li	0.743

	x	y	z	Total
	0.000	0.000	-6.372	6.372
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/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>	9.001
(<r²>)^1/2	3.000