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Geometry for HOCN (cyanic acid) 1A' CS

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

LSDA/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0542 1.3437 0.0000   1.3013 -0.3390 0.0000
C2 0.0000 0.1730 0.0000   0.1655 -0.0503 0.0000
O3 -0.1395 -1.1110 0.0000   -1.1036 0.1898 0.0000
H4 0.7361 -1.5556 0.0000   -1.2742 1.1568 0.0000
Atom - Atom Distances (Å)
  N1 C2 O3 H4
N1 1.1719 2.4624 2.9784
C2 1.1719 1.2916 1.8788
O3 2.4624 1.2916 0.9819
H4 2.9784 1.8788 0.9819
Maximum atom distance is 2.9784Å 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 176.454
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 O3 H4 110.719

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