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	hartrees
Energy at 0K	-1.166589
Energy at 298.15K	-1.163284
Nuclear repulsion energy	0.718907

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	0.368
H2	0.000	0.000	-0.368

	H1	H2
H1		0.7361
H2	0.7361

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

using model chemistry: MP2/cc-pVQZ

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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