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	hartrees
Energy at 0K	-639.582966
Energy at 298.15K	-639.582897
HF Energy	-639.420961
Nuclear repulsion energy	54.200488

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.120
S2	0.000	0.000	0.910

	Al1	S2
Al1		2.0308
S2	2.0308

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

using model chemistry: CID/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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