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Geometry for N2O4 (Dinitrogen tetroxide) 1Ag D2D

1910171554
InChI=1S/N2O4/c3-1(4)2(5)6 INChIKey=WFPZPJSADLPSON-UHFFFAOYSA-N

B3LYP/CEP-31G*


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.8929   0.8929 0.0000 0.0000
N2 0.0000 0.0000 -0.8929   -0.8929 0.0000 0.0000
O3 0.0000 1.1180 1.3678   1.3678 1.1180 0.0000
O4 0.0000 -1.1180 1.3678   1.3678 -1.1180 0.0000
O5 0.0000 1.1180 -1.3678   -1.3678 1.1180 0.0000
O6 0.0000 -1.1180 -1.3678   -1.3678 -1.1180 0.0000
Atom - Atom Distances (Å)
  N1 N2 O3 O4 O5 O6
N1 1.7859 1.2146 1.2146 2.5221 2.5221
N2 1.7859 2.5221 2.5221 1.2146 1.2146
O3 1.2146 2.5221 2.2359 2.7356 3.5331
O4 1.2146 2.5221 2.2359 3.5331 2.7356
O5 2.5221 1.2146 2.7356 3.5331 2.2359
O6 2.5221 1.2146 3.5331 2.7356 2.2359
Maximum atom distance is 3.5331Å between atoms O3 and O6.
picture of Dinitrogen tetroxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 O5 113.013 N1 N2 O6 113.013
N2 N1 O3 113.013 N2 N1 O4 113.013
O3 N1 O4 133.973 O5 N2 O6 133.973

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