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Geometry for ClOOCl (Dichlorine dioxide) 1A C2

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

BLYP/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.3201 0.5343 0.8996   0.9365 0.1859 0.5343
O2 -0.3201 -0.5343 0.8996   0.8435 -0.4475 -0.5343
Cl3 -0.3201 1.9400 -0.4233   -0.4654 -0.2552 1.9400
Cl4 0.3201 -1.9400 -0.4233   -0.3723 0.3783 -1.9400
Atom - Atom Distances (Å)
  O1 O2 Cl3 Cl4
O1 1.2457 2.0337 2.8057
O2 1.2457 2.8057 2.0337
Cl3 2.0337 2.8057 3.9324
Cl4 2.8057 2.0337 3.9324
Maximum atom distance is 3.9324Å 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 115.538 O2 O1 Cl3 115.538

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