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Geometry for C2N2 (Cyanogen) 1Σg D*H

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

B2PLYP=FULLultrafine/TZVP


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6876
C2 0.0000 0.0000 -0.6876
N3 0.0000 0.0000 1.8489
N4 0.0000 0.0000 -1.8489
Atom - Atom Distances (Å)
  C1 C2 N3 N4
C1 1.3751 1.1613 2.5364
C2 1.3751 2.5364 1.1613
N3 1.1613 2.5364 3.6977
N4 2.5364 1.1613 3.6977
Maximum atom distance is 3.6977Å 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.