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Geometry for HOCN (cyanic acid) 1A' CS

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

B3LYP/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0632 1.3801 0.0000   1.3802 -0.0626 0.0000
C2 0.0000 0.1878 0.0000   0.1878 0.0001 0.0000
O3 -0.0496 -1.1510 0.0000   -1.1510 -0.0500 0.0000
H4 0.8389 -1.5802 0.0000   -1.5805 0.8383 0.0000
Atom - Atom Distances (Å)
  N1 C2 O3 H4
N1 1.1940 2.5312 3.0947
C2 1.1940 1.3397 1.9569
O3 2.5312 1.3397 0.9868
H4 3.0947 1.9569 0.9868
Maximum atom distance is 3.0947Å between atoms N1 and H4.
picture of cyanic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 O3 174.846
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 O3 H4 113.662

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