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Geometry for BrOBr (Bromine oxide) 1A1 C2V

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

B3LYPultrafine/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8788   0.8788 0.0000 0.0000
Br2 0.0000 1.5697 -0.1004   -0.1004 0.0000 1.5697
Br3 0.0000 -1.5697 -0.1004   -0.1004 0.0000 -1.5697
Atom - Atom Distances (Å)
  O1 Br2 Br3
O1 1.8501 1.8501
Br2 1.8501 3.1394
Br3 1.8501 3.1394
Maximum atom distance is 3.1394Å 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 116.082

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