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	hartrees
Energy at 0K	-460.835262
Energy at 298.15K
HF Energy	-460.835262
Nuclear repulsion energy	6.953828

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.072
H2	0.000	0.000	-1.222

	Cl1	H2
Cl1		1.2937
H2	1.2937

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Cl	-0.027
2	H	0.027

	x	y	z	Total
	0.000	0.000	-1.152	1.152
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/Sadlej_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>	9.574
(<r²>)^1/2	3.094