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	hartrees
Energy at 0K	-82.712189
Energy at 298.15K	-82.712017
HF Energy	-82.712189
Nuclear repulsion energy	7.506230

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.453
Li2	0.000	0.000	-1.207

	O1	Li2
O1		1.6597
Li2	1.6597

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

using model chemistry: TPSSh/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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