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

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

mPW1PW91/6-31G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 1.1812
N2 0.0000 0.0000 -0.0187
C3 0.0000 0.0000 -1.1795
H4 0.0000 0.0000 -2.2410
Atom - Atom Distances (Å)
  O1 N2 C3 H4
O1 1.1999 2.3607 3.4221
N2 1.1999 1.1608 2.2222
C3 2.3607 1.1608 1.0614
H4 3.4221 2.2222 1.0614
Maximum atom distance is 3.4221Å 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.