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

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

B3PW91/6-31G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 1.2066
N2 0.0000 0.0000 -0.0287
C3 0.0000 0.0000 -1.1987
H4 0.0000 0.0000 -2.2594
Atom - Atom Distances (Å)
  O1 N2 C3 H4
O1 1.2353 2.4052 3.4659
N2 1.2353 1.1700 2.2307
C3 2.4052 1.1700 1.0607
H4 3.4659 2.2307 1.0607
Maximum atom distance is 3.4659Å 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.