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	hartrees
Energy at 0K	-2631.378101
Energy at 298.15K	-2631.376249
HF Energy	-2631.378101
Nuclear repulsion energy	136.527264

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.668
S2	0.000	0.000	-1.378

	As1	S2
As1		2.0465
S2	2.0465

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.047
2	S	-0.047

	x	y	z	Total
	0.000	0.000	1.253	1.253
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/6-31G*

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>	64.140
(<r²>)^1/2	8.009