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Geometry for HCCCl (Chloroacetylene) 1Σ C*V

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

B3LYP/CEP-31G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.8629
C2 0.0000 0.0000 -0.6193
Cl3 0.0000 0.0000 1.0488
H4 0.0000 0.0000 -2.9357
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4
C1 1.2436 2.9117 1.0728
C2 1.2436 1.6680 2.3164
Cl3 2.9117 1.6680 3.9844
H4 1.0728 2.3164 3.9844
Maximum atom distance is 3.9844Å 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.