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	hartrees
Energy at 0K	-81.912567
Energy at 298.15K	-81.912446
HF Energy	-81.816502
Nuclear repulsion energy	8.135725

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.426
Li2	0.000	0.000	-1.135

	O1	Li2
O1		1.5610
Li2	1.5610

All results from a given calculation for LiO (lithium oxide)

using model chemistry: MP2/3-21G*

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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