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	hartrees
Energy at 0K	-702.678677
Energy at 298.15K	-702.678564
HF Energy	-702.678677
Nuclear repulsion energy	54.319850

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.371
Cl2	0.000	0.000	1.048

	Al1	Cl2
Al1		2.4195
Cl2	2.4195

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

using model chemistry: TPSSh/6-31G(2df,p)

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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