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Geometry for CNN (Diazocarbene) 3Σ- C*V

1910171554
InChI=1S/CN2/c1-3-2 INChIKey=QDZARNQKIZUXDK-UHFFFAOYSA-N

CCSD(T)=FULL/6-31G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.2984
N2 0.0000 0.0000 -0.0591
N3 0.0000 0.0000 1.1720
Atom - Atom Distances (Å)
  C1 N2 N3
C1 1.2393 2.4704
N2 1.2393 1.2311
N3 2.4704 1.2311
Maximum atom distance is 2.4704Å between atoms C1 and N3.
picture of Diazocarbene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 N3 180.000

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