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

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

MP4=FULL/3-21G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
N1 0.0000 0.0000 -1.2812
C2 0.0000 0.0000 -0.0413
O3 0.0000 0.0000 1.1520
Atom - Atom Distances (Å)
  N1 C2 O3
N1 1.2399 2.4331
C2 1.2399 1.1932
O3 2.4331 1.1932
Maximum atom distance is 2.4331Å 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.