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	hartrees
Energy at 0K	-99.586836
Energy at 298.15K	-99.586825
HF Energy	-99.459520
Nuclear repulsion energy	4.941436

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.096
H2	0.000	0.000	-0.867

	F1	H2
F1		0.9635
H2	0.9635

All results from a given calculation for HF (Hydrogen fluoride)

using model chemistry: QCISD(TQ)/3-21G

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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