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Geometry for HCNO (fulminic acid) 1Σ C*V

1910171554
InChI=1S/CHNO/c1-2-3/h1H INChIKey=UXKUODQYLDZXDL-UHFFFAOYSA-N

B3LYP/cc-pVQZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 1.1781
N2 0.0000 0.0000 -0.0203
C3 0.0000 0.0000 -1.1748
H4 0.0000 0.0000 -2.2337
Atom - Atom Distances (Å)
  O1 N2 C3 H4
O1 1.1985 2.3530 3.4118
N2 1.1985 1.1545 2.2134
C3 2.3530 1.1545 1.0589
H4 3.4118 2.2134 1.0589
Maximum atom distance is 3.4118Å between atoms O1 and H4.
picture of fulminic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 N2 C3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C3 H4 180.000

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