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	hartrees
Energy at 0K	-107.405677
Energy at 298.15K	-107.405749
HF Energy	-107.308777
Nuclear repulsion energy	9.089833

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.393
Li2	0.000	0.000	-1.179

	F1	Li2
F1		1.5718
Li2	1.5718

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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