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Geometry for HCCCl (Chloroacetylene) 1Σ C*V

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

MP2/6-311G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.8272
C2 0.0000 0.0000 -0.6114
Cl3 0.0000 0.0000 1.0307
H4 0.0000 0.0000 -2.8907
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4
C1 1.2158 2.8579 1.0635
C2 1.2158 1.6421 2.2793
Cl3 2.8579 1.6421 3.9214
H4 1.0635 2.2793 3.9214
Maximum atom distance is 3.9214Å 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.