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Geometry for HCCCl (Chloroacetylene) 1Σ C*V

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

QCISD/6-31G(2df,p)


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.8212
C2 0.0000 0.0000 -0.6172
Cl3 0.0000 0.0000 1.0302
H4 0.0000 0.0000 -2.8826
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4
C1 1.2040 2.8513 1.0614
C2 1.2040 1.6474 2.2654
Cl3 2.8513 1.6474 3.9127
H4 1.0614 2.2654 3.9127
Maximum atom distance is 3.9127Å 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.