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Geometry for C2Cl2 (dichloroacetylene) 1Σg C2H

1910171554
InChI=1S/C2Cl2/c3-1-2-4 INChIKey=ZMJOVJSTYLQINE-UHFFFAOYSA-N

MP2/cc-pVDZ


Point group is D∞h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6141   0.0000 0.0000 0.6141
C2 0.0000 0.0000 -0.6141   0.0000 0.0000 -0.6141
Cl3 0.0000 0.0000 2.2676   0.0000 0.0000 2.2676
Cl4 0.0000 0.0000 -2.2676   0.0000 0.0000 -2.2676
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4
C1 1.2282 1.6535 2.8817
C2 1.2282 2.8817 1.6535
Cl3 1.6535 2.8817 4.5352
Cl4 2.8817 1.6535 4.5352
Maximum atom distance is 4.5352Å between atoms Cl3 and Cl4.
picture of dichloroacetylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl4 180.000 C2 C1 Cl3 180.000

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