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Geometry for HNCO (Isocyanic acid) 1A' CS

1910171554
InChI=1S/CHNO/c2-1-3/h2H INChIKey=OWIKHYCFFJSOEH-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)
H1 0.9130 -1.6523 0.0000   -1.7558 0.6935 0.0000
N2 0.0580 -1.1476 0.0000   -1.1456 -0.0897 0.0000
C3 0.0000 0.0482 0.0000   0.0478 0.0062 0.0000
O4 -0.1649 1.1746 0.0000   1.1860 -0.0128 0.0000
Atom - Atom Distances (Å)
  H1 N2 C3 O4
H1 0.9928 1.9300 3.0254
N2 0.9928 1.1972 2.3329
C3 1.9300 1.1972 1.1384
O4 3.0254 2.3329 1.1384
Maximum atom distance is 3.0254Å 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 174.450
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N2 C3 123.330

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