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 NO2 (Nitrogen dioxide) 2A1 C2V

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

MP2=FULL/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.3266   0.3266 0.0000 0.0000
O2 0.0000 1.1064 -0.1429   -0.1429 0.0000 1.1064
O3 0.0000 -1.1064 -0.1429   -0.1429 0.0000 -1.1064
Atom - Atom Distances (Å)
  N1 O2 O3
N1 1.2019 1.2019
O2 1.2019 2.2129
O3 1.2019 2.2129
Maximum atom distance is 2.2129Å between atoms O2 and O3.
picture of Nitrogen dioxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 N1 O3 134.012

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