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	hartrees
Energy at 0K	-100.342673
Energy at 298.15K
Nuclear repulsion energy	5.183490

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.092
H2	0.000	0.000	-0.827

	F1	H2
F1		0.9188
H2	0.9188

All results from a given calculation for DF (Hydrofluoric acid-d)

using model chemistry: QCISD/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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