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	hartrees
Energy at 0K	-2695.628509
Energy at 298.15K	-2695.626625
HF Energy	-2695.628509
Nuclear repulsion energy	136.628716

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.739
Cl2	0.000	0.000	-1.434

	As1	Cl2
As1		2.1728
Cl2	2.1728

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.367
2	Cl	-0.367

	x	y	z	Total
	0.000	0.000	1.359	1.359
CHELPG
AIM
ESP

All results from a given calculation for AsCl (Arsenic monochloride)

using model chemistry: HSEh1PBE/aug-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>	71.938
(<r²>)^1/2	8.482