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	hartrees
Energy at 0K	-107.406274
Energy at 298.15K	-107.406338
HF Energy	-107.406274
Nuclear repulsion energy	9.021727

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.396
Li2	0.000	0.000	-1.188

	F1	Li2
F1		1.5837
Li2	1.5837

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.654
2	Li	0.654

	x	y	z	Total
	0.000	0.000	-6.380	6.380
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/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>	8.960
(<r²>)^1/2	2.993