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Geometry for CCl2O (Phosgene) 1A1 C2V

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

QCISD/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 1.6752   1.6752 0.0000 0.0000
C2 0.0000 0.0000 0.4992   0.4992 0.0000 0.0000
Cl3 0.0000 1.4488 -0.4823   -0.4823 0.0000 1.4488
Cl4 0.0000 -1.4488 -0.4823   -0.4823 0.0000 -1.4488
Atom - Atom Distances (Å)
  O1 C2 Cl3 Cl4
O1 1.1761 2.5988 2.5988
C2 1.1761 1.7499 1.7499
Cl3 2.5988 1.7499 2.8976
Cl4 2.5988 1.7499 2.8976
Maximum atom distance is 2.8976Å 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 124.113 O1 C2 Cl4 124.113
Cl3 C2 Cl4 111.774

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