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	hartrees
Energy at 0K	-107.358567
Energy at 298.15K	-107.358638
HF Energy	-107.358567
Nuclear repulsion energy	9.143886

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.391
Li2	0.000	0.000	-1.172

	F1	Li2
F1		1.5626
Li2	1.5626

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.473
2	Li	0.473

	x	y	z	Total
	0.000	0.000	-6.085	6.085
CHELPG
AIM
ESP

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

using model chemistry: HSEh1PBE/cc-pCVTZ

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>	8.764
(<r²>)^1/2	2.960