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	hartrees
Energy at 0K	-107.293137
Energy at 298.15K	-107.293225
HF Energy	-107.293137
Nuclear repulsion energy	9.199654

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.388
Li2	0.000	0.000	-1.165

	F1	Li2
F1		1.5531
Li2	1.5531

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.553
2	Li	0.553

	x	y	z	Total
	0.000	0.000	-5.700	5.700
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/6-31G**

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>	8.774
(<r²>)^1/2	2.962