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 NH2NO2 (nitramide)

1910171554

MP2/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0829 -1.3176 0.0000   -1.3180 0.0000 0.0766
N2 0.0063 0.1528 0.0000   0.1528 0.0000 0.0070
O3 0.0063 0.7133 1.1630   0.7132 1.1630 0.0097
O4 0.0063 0.7133 -1.1630   0.7132 -1.1630 0.0097
H5 -0.3627 -1.6293 -0.8658   -1.6276 -0.8658 -0.3705
H6 -0.3627 -1.6293 0.8658   -1.6276 0.8658 -0.3705
Atom - Atom Distances (Å)
  N1 N2 O3 O4 H5 H6
N1 1.4724 2.3415 2.3415 1.0224 1.0224
N2 1.4724 1.2910 1.2910 2.0154 2.0154
O3 2.3415 1.2910 2.3261 3.1209 2.3900
O4 2.3415 1.2910 2.3261 2.3900 3.1209
H5 1.0224 2.0154 3.1209 2.3900 1.7316
H6 1.0224 2.0154 2.3900 3.1209 1.7316
Maximum atom distance is 3.1209Å 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 115.691 N1 N2 O4 115.691
O3 N2 O4 128.543
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 N1 H5 106.370 N2 N1 H6 106.370
H5 N1 H6 115.733

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