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	hartrees
Energy at 0K	-460.844760
Energy at 298.15K
HF Energy	-460.844760
Nuclear repulsion energy	7.019424

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.071
H2	0.000	0.000	-1.210

	Cl1	H2
Cl1		1.2816
H2	1.2816

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Cl	-0.249
2	H	0.249

	x	y	z	Total
	0.000	0.000	-1.108	1.108
CHELPG
AIM
ESP

All results from a given calculation for HCl (Hydrogen chloride)

using model chemistry: TPSSh/aug-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>	9.548
(<r²>)^1/2	3.090