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	hartrees
Energy at 0K	-1.160919
Energy at 298.15K
Nuclear repulsion energy	0.688818

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	0.384
H2	0.000	0.000	-0.384

	H1	H2
H1		0.7682
H2	0.7682

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	0.000
2	H	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/aug-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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<r²>	1.503
(<r²>)^1/2	1.226