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Geometry for BrOBr (Bromine oxide) 1A1 C2V

1910171554
InChI=1S/Br2O/c1-3-2 INChIKey=HJCMMOODWZOXML-UHFFFAOYSA-N

B3LYP/CEP-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.9398   0.9398 0.0000 0.0000
Br2 0.0000 1.6552 -0.1074   -0.1074 0.0000 1.6552
Br3 0.0000 -1.6552 -0.1074   -0.1074 0.0000 -1.6552
Atom - Atom Distances (Å)
  O1 Br2 Br3
O1 1.9587 1.9587
Br2 1.9587 3.3104
Br3 1.9587 3.3104
Maximum atom distance is 3.3104Å between atoms Br2 and Br3.
picture of Bromine oxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 O1 Br3 115.357

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