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	hartrees
Energy at 0K	-89.827714
Energy at 298.15K	-89.826798
HF Energy	-89.827714
Nuclear repulsion energy	12.818884

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.881
O2	0.000	0.000	0.440

	Be1	O2
Be1		1.3210
O2	1.3210

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

using model chemistry: HSEh1PBE/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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