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	hartrees
Energy at 0K	-274.795812
Energy at 298.15K	-274.796015
Nuclear repulsion energy	29.267730

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.694
O2	0.000	0.000	-1.041

	Mg1	O2
Mg1		1.7357
O2	1.7357

All results from a given calculation for MgO (magnesium oxide)

using model chemistry: MP2=FULL/cc-pVQZ

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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