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Geometry for NCO (isocyanato radical) 2Π C*V

1910171554
InChI=1S/CNO/c2-1-3 INChIKey=HKKDKUMUWRTAIA-UHFFFAOYSA-N

LSDA/Def2TZVPP


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
N1 0.0000 0.0000 -1.2626
C2 0.0000 0.0000 -0.0424
O3 0.0000 0.0000 1.1366
Atom - Atom Distances (Å)
  N1 C2 O3
N1 1.2202 2.3992
C2 1.2202 1.1790
O3 2.3992 1.1790
Maximum atom distance is 2.3992Å between atoms N1 and O3.
picture of isocyanato radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 O3 180.000

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