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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**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.8307
C2 0.0000 0.0000 -0.6199
Cl3 0.0000 0.0000 1.0351
H4 0.0000 0.0000 -2.8934
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4
C1 1.2108 2.8658 1.0627
C2 1.2108 1.6550 2.2735
Cl3 2.8658 1.6550 3.9285
H4 1.0627 2.2735 3.9285
Maximum atom distance is 3.9285Å 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.