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Geometry for CCl2O (Phosgene) 1A1 C2V

1910171554
InChI=1S/CCl2O/c2-1(3)4 INChIKey=YGYAWVDWMABLBF-UHFFFAOYSA-N

HF/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.6800   1.6800 0.0000 0.0000
C2 0.0000 0.0000 0.5050   0.5050 0.0000 0.0000
Cl3 0.0000 1.4956 -0.4844   -0.4844 0.0000 1.4956
Cl4 0.0000 -1.4956 -0.4844   -0.4844 0.0000 -1.4956
Atom - Atom Distances (Å)
  O1 C2 Cl3 Cl4
O1 1.1750 2.6308 2.6308
C2 1.1750 1.7932 1.7932
Cl3 2.6308 1.7932 2.9911
Cl4 2.6308 1.7932 2.9911
Maximum atom distance is 2.9911Å between atoms Cl3 and Cl4.
picture of Phosgene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 Cl3 123.486 O1 C2 Cl4 123.486
Cl3 C2 Cl4 113.029

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