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	hartrees
Energy at 0K	-640.564431
Energy at 298.15K	-640.564286
HF Energy	-640.564431
Nuclear repulsion energy	51.238670

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.185
S2	0.000	0.000	0.963

	Al1	S2
Al1		2.1482
S2	2.1482

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.369
2	S	-0.369

	x	y	z	Total
	0.000	0.000	-3.729	3.729
CHELPG
AIM
ESP

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

using model chemistry: BLYP/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>	48.822
(<r²>)^1/2	6.987