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	hartrees
Energy at 0K	-460.847817
Energy at 298.15K	-460.846260
Nuclear repulsion energy	7.018050

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.071
H2	0.000	0.000	-1.211

	Cl1	H2
Cl1		1.2818
H2	1.2818

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Cl	-0.125
2	H	0.125

	x	y	z	Total
	0.000	0.000	-1.150	1.150
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/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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<r²>	9.573
(<r²>)^1/2	3.094