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Geometry for HCCCl (Chloroacetylene) 1Σ C*V

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

B1B95/6-31G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.8152
C2 0.0000 0.0000 -0.6121
Cl3 0.0000 0.0000 1.0261
H4 0.0000 0.0000 -2.8800
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4
C1 1.2031 2.8413 1.0648
C2 1.2031 1.6382 2.2679
Cl3 2.8413 1.6382 3.9061
H4 1.0648 2.2679 3.9061
Maximum atom distance is 3.9061Å 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.