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

MP2/CEP-31G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.5347
H2 0.0000 0.0000 -1.6183
N3 0.0000 0.0000 0.6895
Atom - Atom Distances (Å)
  C1 H2 N3
C1 1.0836 1.2243
H2 1.0836 2.3078
N3 1.2243 2.3078
Maximum atom distance is 2.3078Å 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.