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Geometry for HCCCl (Chloroacetylene) 1Σ C*V

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

MP2/TZVP


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.8278
C2 0.0000 0.0000 -0.6165
Cl3 0.0000 0.0000 1.0326
H4 0.0000 0.0000 -2.8889
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4
C1 1.2113 2.8604 1.0611
C2 1.2113 1.6492 2.2723
Cl3 2.8604 1.6492 3.9215
H4 1.0611 2.2723 3.9215
Maximum atom distance is 3.9215Å 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.