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	hartrees
Energy at 0K	-640.623468
Energy at 298.15K	-640.623392
HF Energy	-640.623468
Nuclear repulsion energy	54.088986

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.121
S2	0.000	0.000	0.911

	Al1	S2
Al1		2.0321
S2	2.0321

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.235
2	S	-0.235

	x	y	z	Total
	0.000	0.000	-4.048	4.048
CHELPG
AIM
ESP

All results from a given calculation for AlS (Aluminum sulfide)

using model chemistry: wB97X-D/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>	44.932
(<r²>)^1/2	6.703