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Geometry for HCCCl (Chloroacetylene) 1Σ C*V

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

B3LYP/3-21G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.8559
C2 0.0000 0.0000 -0.6556
Cl3 0.0000 0.0000 1.0580
H4 0.0000 0.0000 -2.9166
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4
C1 1.2002 2.9138 1.0607
C2 1.2002 1.7136 2.2610
Cl3 2.9138 1.7136 3.9746
H4 1.0607 2.2610 3.9746
Maximum atom distance is 3.9746Å 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.