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	hartrees
Energy at 0K
Energy at 298.15K	-0.302418
HF Energy	-0.302418
Nuclear repulsion energy	17.689145

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.397
Li2	0.000	0.000	-1.190

	F1	Li2
F1		1.5860
Li2	1.5860

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

using model chemistry: PM3

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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