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Geometry for HCNO (fulminic acid) 1A' CS

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

B2PLYP/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.7569 -0.9078 0.0000   1.0099 0.6141 0.0000
N2 0.0000 0.0216 0.0000   -0.0070 -0.0204 0.0000
C3 0.7976 0.8802 0.0000   -1.0395 -0.5748 0.0000
H4 1.2695 1.8299 0.0000   -1.7932 -1.3208 0.0000
Atom - Atom Distances (Å)
  O1 N2 C3 H4
O1 1.1986 2.3693 3.4060
N2 1.1986 1.1719 2.2094
C3 2.3693 1.1719 1.0605
H4 3.4060 2.2094 1.0605
Maximum atom distance is 3.4060Å 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 176.268
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C3 H4 163.527

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