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	hartrees
Energy at 0K	-107.361248
Energy at 298.15K	-107.361317
HF Energy	-107.284170
Nuclear repulsion energy	9.025168

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.396
Li2	0.000	0.000	-1.187

	F1	Li2
F1		1.5831
Li2	1.5831

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

using model chemistry: B2PLYP=FULL/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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