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	hartrees
Energy at 0K	-2696.106091
Energy at 298.15K	-2696.104208
HF Energy	-2696.106091
Nuclear repulsion energy	137.506086

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.734
Cl2	0.000	0.000	-1.425

	As1	Cl2
As1		2.1589
Cl2	2.1589

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.306
2	Cl	-0.306

	x	y	z	Total
	0.000	0.000	1.249	1.249
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/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>	71.172
(<r²>)^1/2	8.436