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	hartrees
Energy at 0K	-2634.311164
Energy at 298.15K	-2634.309346
HF Energy	-2634.311164
Nuclear repulsion energy	138.756187

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.658
S2	0.000	0.000	-1.356

	As1	S2
As1		2.0136
S2	2.0136

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.320
2	S	-0.320

	x	y	z	Total
	0.000	0.000	1.280	1.280
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/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>	62.808
(<r²>)^1/2	7.925