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Geometry for HCCCl (Chloroacetylene) 1Σ C*V

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

PBEPBE/3-21G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.8637
C2 0.0000 0.0000 -0.6520
Cl3 0.0000 0.0000 1.0604
H4 0.0000 0.0000 -2.9330
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4
C1 1.2118 2.9242 1.0693
C2 1.2118 1.7124 2.2811
Cl3 2.9242 1.7124 3.9935
H4 1.0693 2.2811 3.9935
Maximum atom distance is 3.9935Å 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.