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Geometry for NH2NO2 (nitramide)

1910171554

HSEh1PBE/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0451 -1.2567 0.0000   0.0003 0.0451 -1.2567
N2 0.0055 0.1425 0.0000   0.0000 0.0055 0.1425
O3 0.0055 0.6945 1.1417   1.1417 -0.0023 0.6945
O4 0.0055 0.6945 -1.1417   -1.1417 0.0134 0.6945
H5 -0.2214 -1.6559 -0.8925   -0.8940 -0.2152 -1.6559
H6 -0.2214 -1.6559 0.8925   0.8909 -0.2275 -1.6559
Atom - Atom Distances (Å)
  N1 N2 O3 O4 H5 H6
N1 1.3998 2.2610 2.2610 1.0133 1.0133
N2 1.3998 1.2681 1.2681 2.0205 2.0205
O3 2.2610 1.2681 2.2834 3.1167 2.3744
O4 2.2610 1.2681 2.2834 2.3744 3.1167
H5 1.0133 2.0205 3.1167 2.3744 1.7849
H6 1.0133 2.0205 2.3744 3.1167 1.7849
Maximum atom distance is 3.1167Å between atoms O3 and H5.
picture of nitramide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 O3 115.788 N1 N2 O4 115.788
O3 N2 O4 128.401
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 N1 H5 112.726 N2 N1 H6 112.726
H5 N1 H6 123.460

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