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

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

PBE1PBE/6-31+G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 1.1825
N2 0.0000 0.0000 -0.0194
C3 0.0000 0.0000 -1.1800
H4 0.0000 0.0000 -2.2441
Atom - Atom Distances (Å)
  O1 N2 C3 H4
O1 1.2019 2.3624 3.4266
N2 1.2019 1.1605 2.2246
C3 2.3624 1.1605 1.0641
H4 3.4266 2.2246 1.0641
Maximum atom distance is 3.4266Å 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.