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Geometry for (nitrogen trioxide cation) 1A1 C2V

1910171554
InChI=1S/NO3/c2-1(3)4/q+1 INChIKey=MGUAMNYNQZUFET-UHFFFAOYSA-N

B2PLYP=FULLultrafine/aug-cc-pVTZ


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
N1 0.0000 0.0000 0.2436
O2 0.0000 0.0000 1.3806
O3 0.0000 0.8173 -0.7969
O4 0.0000 -0.8173 -0.7969
Atom - Atom Distances (Å)
  N1 O2 O3 O4
N1 1.1370 1.3230 1.3230
O2 1.1370 2.3258 2.3258
O3 1.3230 2.3258 1.6345
O4 1.3230 2.3258 1.6345
Maximum atom distance is 2.3258Å between atoms O2 and O3.
picture of nitrogen trioxide cation
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 N1 O3 141.851 O2 N1 O4 141.851
O3 N1 O4 76.299

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