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	hartrees
Energy at 0K	-640.709405
Energy at 298.15K	-640.709290
Nuclear repulsion energy	52.029202

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.167
S2	0.000	0.000	0.948

	Al1	S2
Al1		2.1155
S2	2.1155

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	-0.304
2	S	-0.696

	x	y	z	Total
	0.000	0.000	0.156	0.156
CHELPG
AIM
ESP

All results from a given calculation for (Aluminum sulfide)

using model chemistry: B3LYPultrafine/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>	0.000
(<r²>)^1/2	0.000