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	hartrees
Energy at 0K	-640.330821
Energy at 298.15K	-640.330734
HF Energy	-640.330821
Nuclear repulsion energy	53.712320

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.131
S2	0.000	0.000	0.919

	Al1	S2
Al1		2.0492
S2	2.0492

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.422
2	S	-0.422

	x	y	z	Total
	0.000	0.000	-3.624	3.624
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/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>	45.492
(<r²>)^1/2	6.745