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Geometry for B2O3 (diboron trioxide) 1ΣG D*H

1910171554
InChI=1S/B2O3/c3-1-5-2-4 INChIKey=

B3LYP/6-31G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.0000
B2 0.0000 0.0000 1.3150
B3 0.0000 0.0000 -1.3150
O4 0.0000 0.0000 2.5391
O5 0.0000 0.0000 -2.5391
Atom - Atom Distances (Å)
  O1 B2 B3 O4 O5
O1 1.3150 1.3150 2.5391 2.5391
B2 1.3150 2.6300 1.2242 3.8541
B3 1.3150 2.6300 3.8541 1.2242
O4 2.5391 1.2242 3.8541 5.0783
O5 2.5391 3.8541 1.2242 5.0783
Maximum atom distance is 5.0783Å between atoms O4 and O5.
picture of diboron trioxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 B2 O4 180.000 O1 B3 O5 180.000
B2 O1 B3 180.000

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