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

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

mPW1PW91/6-311+G(3df,2p)


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.2785
N2 0.0000 0.0000 -0.0488
N3 0.0000 0.0000 1.1447
Atom - Atom Distances (Å)
  C1 N2 N3
C1 1.2297 2.4233
N2 1.2297 1.1936
N3 2.4233 1.1936
Maximum atom distance is 2.4233Å 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.