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Geometry for HCCCl (Chloroacetylene) 1Σ C*V

1910171554
InChI=1S/C2HCl/c1-2-3/h1H INChIKey=DIWKDXFZXXCDLF-UHFFFAOYSA-N

HF/LANL2DZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.8386
C2 0.0000 0.0000 -0.6446
Cl3 0.0000 0.0000 1.0466
H4 0.0000 0.0000 -2.8923
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4
C1 1.1941 2.8852 1.0537
C2 1.1941 1.6911 2.2477
Cl3 2.8852 1.6911 3.9389
H4 1.0537 2.2477 3.9389
Maximum atom distance is 3.9389Å between atoms Cl3 and H4.
picture of Chloroacetylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 180.000

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