return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

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

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

MP3=FULL/3-21G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.5048
H2 0.0000 0.0000 -1.5686
N3 0.0000 0.0000 0.6568
Atom - Atom Distances (Å)
  C1 H2 N3
C1 1.0638 1.1615
H2 1.0638 2.2253
N3 1.1615 2.2253
Maximum atom distance is 2.2253Å 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.