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 N2F2 ((Z)-Difluorodiazene) 1A1 C2V

1910171554
InChI=1S/F2N2/c1-3-4-2/b4-3- INChIKey=DUQAODNTUBJRGF-ARJAWSKDSA-N

LSDA/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
F1 0.0000 1.1818 -0.5449   -0.5449 0.0000 1.1818
N2 0.0000 0.6044 0.7006   0.7006 0.0000 0.6044
N3 0.0000 -0.6044 0.7006   0.7006 0.0000 -0.6044
F4 0.0000 -1.1818 -0.5449   -0.5449 0.0000 -1.1818
Atom - Atom Distances (Å)
  F1 N2 N3 F4
F1 1.3728 2.1775 2.3636
N2 1.3728 1.2087 2.1775
N3 2.1775 1.2087 1.3728
F4 2.3636 2.1775 1.3728
Maximum atom distance is 2.3636Å between atoms F1 and F4.
picture of (Z)-Difluorodiazene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F1 N2 N3 114.873 N2 N3 F4 114.873

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