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	hartrees
Energy at 0K	-100.342045
Energy at 298.15K
HF Energy	-100.061015
Nuclear repulsion energy	5.186882

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.092
H2	0.000	0.000	-0.826

	F1	H2
F1		0.9182
H2	0.9182

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

using model chemistry: CCSD/aug-cc-pVTZ

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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