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	hartrees
Energy at 0K	-89.942143
Energy at 298.15K	-89.941227
HF Energy	-89.942143
Nuclear repulsion energy	12.796485

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.879
O2	0.000	0.000	0.439

	Be1	O2
Be1		1.3184
O2	1.3184

All results from a given calculation for BeO (beryllium oxide)

using model chemistry: B3LYPultrafine/aug-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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