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Geometry for HOCN (cyanic acid) 1A' CS

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

HF/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.1299 1.3038 0.0000   1.3102 -0.0083 0.0000
C2 0.0000 0.1838 0.0000   0.1828 -0.0194 0.0000
O3 -0.1920 -1.0839 0.0000   -1.0981 -0.0767 0.0000
H4 0.6270 -1.5583 0.0000   -1.4834 0.7878 0.0000
Atom - Atom Distances (Å)
  N1 C2 O3 H4
N1 1.1275 2.4094 2.9049
C2 1.1275 1.2822 1.8515
O3 2.4094 1.2822 0.9465
H4 2.9049 1.8515 0.9465
Maximum atom distance is 2.9049Å 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 178.002
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 O3 H4 111.463

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