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

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

B3LYPultrafine/6-31+G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 1.1896
N2 0.0000 0.0000 -0.0222
C3 0.0000 0.0000 -1.1854
H4 0.0000 0.0000 -2.2492
Atom - Atom Distances (Å)
  O1 N2 C3 H4
O1 1.2118 2.3750 3.4388
N2 1.2118 1.1632 2.2270
C3 2.3750 1.1632 1.0638
H4 3.4388 2.2270 1.0638
Maximum atom distance is 3.4388Å 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.