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

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

B2PLYP/3-21G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.5089
H2 0.0000 0.0000 -1.5710
N3 0.0000 0.0000 0.6606
Atom - Atom Distances (Å)
  C1 H2 N3
C1 1.0621 1.1695
H2 1.0621 2.2317
N3 1.1695 2.2317
Maximum atom distance is 2.2317Å 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.