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	hartrees
Energy at 0K	-1.163673
Energy at 298.15K
Nuclear repulsion energy	0.695469

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	0.380
H2	0.000	0.000	-0.380

	H1	H2
H1		0.7609
H2	0.7609

All results from a given calculation for HD (Deuterium hydride)

using model chemistry: QCISD/cc-pVDZ

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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