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

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

B3PW91/6-311G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.4983
H2 0.0000 0.0000 -1.5674
N3 0.0000 0.0000 0.6510
Atom - Atom Distances (Å)
  C1 H2 N3
C1 1.0691 1.1493
H2 1.0691 2.2184
N3 1.1493 2.2184
Maximum atom distance is 2.2184Å 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.