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	hartrees
Energy at 0K	-701.859141
Energy at 298.15K	-701.859040
HF Energy	-701.511278
Nuclear repulsion energy	54.501769

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.222
Cl2	0.000	0.000	0.934

	Al1	Cl2
Al1		2.1562
Cl2	2.1562

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

using model chemistry: MP2=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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