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	hartrees
Energy at 0K	-2633.539699
Energy at 298.15K	-2633.537860
HF Energy	-2633.539699
Nuclear repulsion energy	137.215488

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.665
S2	0.000	0.000	-1.371

	As1	S2
As1		2.0363
S2	2.0363

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.318
2	S	-0.318

	x	y	z	Total
	0.000	0.000	1.129	1.129
CHELPG
AIM
ESP

All results from a given calculation for AsS (Arsenic monosulfide)

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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>	63.895
(<r²>)^1/2	7.993