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Geometry for HOCN (cyanic acid) 1A' CS

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

B3PW91/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0831 1.3311 0.0000   1.3336 -0.0119 0.0000
C2 0.0000 0.1782 0.0000   0.1777 -0.0127 0.0000
O3 -0.1602 -1.1052 0.0000   -1.1138 -0.0810 0.0000
H4 0.6996 -1.5452 0.0000   -1.4914 0.8079 0.0000
Atom - Atom Distances (Å)
  N1 C2 O3 H4
N1 1.1559 2.4484 2.9416
C2 1.1559 1.2933 1.8599
O3 2.4484 1.2933 0.9658
H4 2.9416 1.8599 0.9658
Maximum atom distance is 2.9416Å 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 177.009
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 O3 H4 109.988

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