return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Geometry for C2N2 (Cyanogen) 1Σg D*H

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

mPW1PW91/3-21G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6808
C2 0.0000 0.0000 -0.6808
N3 0.0000 0.0000 1.8456
N4 0.0000 0.0000 -1.8456
Atom - Atom Distances (Å)
  C1 C2 N3 N4
C1 1.3616 1.1648 2.5264
C2 1.3616 2.5264 1.1648
N3 1.1648 2.5264 3.6912
N4 2.5264 1.1648 3.6912
Maximum atom distance is 3.6912Å 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.