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Geometry for HNCO (Isocyanic acid) 1A' CS

1910171554
InChI=1S/CHNO/c2-1-3/h2H INChIKey=OWIKHYCFFJSOEH-UHFFFAOYSA-N

BLYP/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 1.6026 -1.0971 0.0000   0.0821 1.9404 0.0000
N2 0.5811 -1.0362 0.0000   -0.4812 1.0862 0.0000
C3 0.0000 0.0533 0.0000   0.0427 -0.0319 0.0000
O4 -0.7088 1.0038 0.0000   0.3788 -1.1690 0.0000
Atom - Atom Distances (Å)
  H1 N2 C3 O4
H1 1.0233 1.9727 3.1235
N2 1.0233 1.2348 2.4136
C3 1.9727 1.2348 1.1857
O4 3.1235 2.4136 1.1857
Maximum atom distance is 3.1235Å between atoms H1 and O4.
picture of Isocyanic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C3 O4 171.363
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N2 C3 121.487

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