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Geometry for (cyanate) 1Σ C*V

1910171554
InChI=1S/CHNO/c2-1-3/h3H/p-1 INChIKey=XLJMAIOERFSOGZ-UHFFFAOYSA-M

MP2_cp/3-21G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
N1 0.0000 0.0000 -1.2965
C2 0.0000 0.0000 -0.0732
O3 0.0000 0.0000 1.1893
Atom - Atom Distances (Å)
  N1 C2 O3
N1 1.2233 2.4858
C2 1.2233 1.2625
O3 2.4858 1.2625
Maximum atom distance is 2.4858Å between atoms N1 and O3.
picture of cyanate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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