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	hartrees
Energy at 0K	-107.265532
Energy at 298.15K
HF Energy	-106.978866
Nuclear repulsion energy	9.001436

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.397
Li2	0.000	0.000	-1.191

	F1	Li2
F1		1.5876
Li2	1.5876

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

using model chemistry: QCISD(T)/6-311+G(3df,2p)

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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