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Geometry for ClOOCl (Dichlorine dioxide) 1A C2

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

PBEPBEultrafine/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.3190 0.5430 0.8827   0.9211 0.1805 0.5430
O2 -0.3190 -0.5430 0.8827   0.8237 -0.4501 -0.5430
Cl3 -0.3190 1.8456 -0.4154   -0.4593 -0.2519 1.8456
Cl4 0.3190 -1.8456 -0.4154   -0.3618 0.3787 -1.8456
Atom - Atom Distances (Å)
  O1 O2 Cl3 Cl4
O1 1.2595 1.9466 2.7185
O2 1.2595 2.7185 1.9466
Cl3 1.9466 2.7185 3.7460
Cl4 2.7185 1.9466 3.7460
Maximum atom distance is 3.7460Å 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 114.261 O2 O1 Cl3 114.261

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