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 C2N2 (Cyanogen) 1Σg D*H

1910171554
InChI=1S/C2N2/c3-1-2-4 INChIKey=JMANVNJQNLATNU-UHFFFAOYSA-N

B1B95/6-311G**


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6870
C2 0.0000 0.0000 -0.6870
N3 0.0000 0.0000 1.8403
N4 0.0000 0.0000 -1.8403
Atom - Atom Distances (Å)
  C1 C2 N3 N4
C1 1.3741 1.1533 2.5274
C2 1.3741 2.5274 1.1533
N3 1.1533 2.5274 3.6807
N4 2.5274 1.1533 3.6807
Maximum atom distance is 3.6807Å between atoms N3 and N4.
picture of Cyanogen
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 180.000 C2 C1 N3 180.000

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