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Geometry for ClOOCl (Dichlorine dioxide) 1A C2

1910171554
InChI=1S/Cl2O2/c1-3-4-2 INChIKey=MAYPHUUCLRDEAZ-UHFFFAOYSA-N

B3LYP/STO-3G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.3481 0.5939 0.8713   0.5300 0.8713 0.4392
O2 -0.3481 -0.5939 0.8713   -0.5300 0.8713 -0.4392
Cl3 -0.3481 1.7634 -0.4100   1.7964 -0.4100 -0.0593
Cl4 0.3481 -1.7634 -0.4100   -1.7964 -0.4100 0.0593
Atom - Atom Distances (Å)
  O1 O2 Cl3 Cl4
O1 1.3767 1.8692 2.6830
O2 1.3767 2.6830 1.8692
Cl3 1.8692 2.6830 3.5948
Cl4 2.6830 1.8692 3.5948
Maximum atom distance is 3.5948Å between atoms Cl3 and Cl4.
picture of Dichlorine dioxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 O2 Cl4 110.578 O2 O1 Cl3 110.578

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