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	hartrees
Energy at 0K	-660.320455
Energy at 298.15K	-660.320487
HF Energy	-660.320455
Nuclear repulsion energy	48.115953

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.313
Cl2	0.000	0.000	0.927

	Mg1	Cl2
Mg1		2.2400
Cl2	2.2400

All results from a given calculation for MgCl (magnesium monochloride)

using model chemistry: TPSSh/6-31+G**

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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