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	hartrees
Energy at 0K	-1.165153
Energy at 298.15K
Nuclear repulsion energy	0.719101

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	0.369
H2	0.000	0.000	-0.369

	H1	H2
H1		0.7385
H2	0.7385

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

using model chemistry: CCSD(T)/6-31G**

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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