return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for BeO (beryllium oxide) 1Σ C*V

1910171554
InChI=1S/Be.O INChIKey=LTPBRCUWZOMYOC-UHFFFAOYSA-N

B3LYP/Def2TZVPP


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Be1 0.0000 0.0000 -0.8806
O2 0.0000 0.0000 0.4403
Atom - Atom Distances (Å)
  Be1 O2
Be1 1.3209
O2 1.3209
Maximum atom distance is 1.3209Å between atoms Be1 and O2.
picture of beryllium oxide

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.