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	hartrees
Energy at 0K	-89.784913
Energy at 298.15K	-89.783996
HF Energy	-89.445410
Nuclear repulsion energy	12.685783

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.890
O2	0.000	0.000	0.445

	Be1	O2
Be1		1.3345
O2	1.3345

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

using model chemistry: CCSD(T)=FULL/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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