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	hartrees
Energy at 0K	-639.633534
Energy at 298.15K	-639.633495
HF Energy	-639.455029
Nuclear repulsion energy	53.797579

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.129
S2	0.000	0.000	0.917

	Al1	S2
Al1		2.0460
S2	2.0460

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

using model chemistry: MP2=FULL/cc-pVDZ

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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