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 FCN (Cyanogen fluoride) 1Σ C*V

1910171554
InChI=1S/CFN/c2-1-3 INChIKey=CPPKAGUPTKIMNP-UHFFFAOYSA-N

B3PW91/cc-pVDZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.1493
F2 0.0000 0.0000 1.1196
N3 0.0000 0.0000 -1.3115
Atom - Atom Distances (Å)
  C1 F2 N3
C1 1.2689 1.1622
F2 1.2689 2.4311
N3 1.1622 2.4311
Maximum atom distance is 2.4311Å between atoms F2 and N3.
picture of Cyanogen fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 N3 180.000

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