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Geometry for BrOCl (Bromine hypochlorite) 1A' CS

1910171554
InChI=1S/BrClO/c1-3-2 INChIKey=QZMLUZQWJCKBQO-UHFFFAOYSA-N

B3LYP/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 1.0407 0.0000   -0.5566 -0.8794 0.0000
Br2 -0.8972 -0.6978 0.0000   1.1313 0.1098 0.0000
Cl3 1.8472 0.9469 0.0000   -2.0672 0.1879 0.0000
Atom - Atom Distances (Å)
  O1 Br2 Cl3
O1 1.9564 1.8496
Br2 1.9564 3.1995
Cl3 1.8496 3.1995
Maximum atom distance is 3.1995Å between atoms Br2 and Cl3.
picture of Bromine hypochlorite
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 O1 Cl3 114.389

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