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Geometry for CCl2O (Phosgene) 1A1 C2V

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

B1B95/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.6669   0.0000 1.6669 0.0000
C2 0.0000 0.0000 0.4966   0.0000 0.4966 0.0000
Cl3 0.0000 1.4393 -0.4798   1.4393 -0.4798 0.0000
Cl4 0.0000 -1.4393 -0.4798   -1.4393 -0.4798 0.0000
Atom - Atom Distances (Å)
  O1 C2 Cl3 Cl4
O1 1.1704 2.5846 2.5846
C2 1.1704 1.7393 1.7393
Cl3 2.5846 1.7393 2.8787
Cl4 2.5846 1.7393 2.8787
Maximum atom distance is 2.8787Å 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 124.152 O1 C2 Cl4 124.152
Cl3 C2 Cl4 111.697

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