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Geometry for HCN (Hydrogen cyanide) 1Σ C*V

1910171554
InChI=1S/CHN/c1-2/h1H INChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N

B3LYP/CEP-31G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.5162
H2 0.0000 0.0000 -1.5953
N3 0.0000 0.0000 0.6704
Atom - Atom Distances (Å)
  C1 H2 N3
C1 1.0790 1.1866
H2 1.0790 2.2656
N3 1.1866 2.2656
Maximum atom distance is 2.2656Å between atoms H2 and N3.
picture of Hydrogen cyanide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 N3 180.000

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