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	hartrees
Energy at 0K	-460.827324
Energy at 298.15K	-460.825767
Nuclear repulsion energy	6.971448

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.072
H2	0.000	0.000	-1.219

	Cl1	H2
Cl1		1.2904
H2	1.2904

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Cl	-0.176
2	H	0.176

	x	y	z	Total
	0.000	0.000	-1.378	1.378
CHELPG
AIM
ESP

All results from a given calculation for DCl (Hydrochloric acid-d)

using model chemistry: mPW1PW91/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>	9.373
(<r²>)^1/2	3.062