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	hartrees
Energy at 0K	-107.201117
Energy at 298.15K	-107.201178
HF Energy	-106.976466
Nuclear repulsion energy	8.882487

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.402
Li2	0.000	0.000	-1.206

	F1	Li2
F1		1.6085
Li2	1.6085

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

using model chemistry: QCISD/TZVP

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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