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	hartrees
Energy at 0K	-460.841677
Energy at 298.15K
HF Energy	-460.841677
Nuclear repulsion energy	7.011092

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.071
H2	0.000	0.000	-1.212

	Cl1	H2
Cl1		1.2831
H2	1.2831

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Cl	-0.115
2	H	0.115

	x	y	z	Total
	0.000	0.000	-1.122	1.122
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/aug-cc-pVTZ

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>	9.555
(<r²>)^1/2	3.091