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 (Nitrogen dioxide) 2A1 C2V

1910171554
InChI=1S/NO2/c2-1-3 INChIKey=JCXJVPUVTGWSNB-UHFFFAOYSA-N

B3LYPultrafine_cp/6-31+G**


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
N1 0.0000 0.0000 0.3266
O2 0.0000 1.1062 -0.1429
O3 0.0000 -1.1062 -0.1429
Atom - Atom Distances (Å)
  N1 O2 O3
N1 1.2017 1.2017
O2 1.2017 2.2124
O3 1.2017 2.2124
Maximum atom distance is 2.2124Å between atoms O2 and O3.
picture of Nitrogen dioxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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