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	hartrees
Energy at 0K	-701.896488
Energy at 298.15K	-701.896386
HF Energy	-701.511292
Nuclear repulsion energy	54.429047

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.218
Cl2	0.000	0.000	0.931

	Al1	Cl2
Al1		2.1488
Cl2	2.1488

All results from a given calculation for AlCl (Aluminum monochloride)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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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