return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for ClCN (chlorocyanogen) 1Σ C*V

1910171554
InChI=1S/CClN/c2-1-3 INChIKey=QPJDMGCKMHUXFD-UHFFFAOYSA-N

MP2=FULL/cc-pVDZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Cl1 0.0000 0.0000 0.9908
C2 0.0000 0.0000 -0.6556
N3 0.0000 0.0000 -1.8442
Atom - Atom Distances (Å)
  Cl1 C2 N3
Cl1 1.6463 2.8350
C2 1.6463 1.1886
N3 2.8350 1.1886
Maximum atom distance is 2.8350Å between atoms Cl1 and N3.
picture of chlorocyanogen
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C2 N3 180.000

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.