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Geometry for HCNO (fulminic acid) 1A' CS

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

PBEPBE/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -0.8425 -0.8331 0.0000   -1.1848 -0.0084 0.0000
N2 0.0000 0.0226 0.0000   0.0158 0.0162 0.0000
C3 0.8883 0.7962 0.0000   1.1918 -0.0500 0.0000
H4 1.4106 1.7292 0.0000   2.2171 0.2535 0.0000
Atom - Atom Distances (Å)
  O1 N2 C3 H4
O1 1.2009 2.3770 3.4120
N2 1.2009 1.1779 2.2141
C3 2.3770 1.1779 1.0693
H4 3.4120 2.2141 1.0693
Maximum atom distance is 3.4120Å 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 175.606
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C3 H4 160.290

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