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 NH2 (Amino radical) 2B1 C2V

1910171554
InChI=1S/H2N/h1H2 INChIKey=MDFFNEOEWAXZRQ-UHFFFAOYSA-N

B3LYP/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.1472   0.1472 0.0000 0.0000
H2 0.0000 0.8214 -0.5152   -0.5152 0.0000 0.8214
H3 0.0000 -0.8214 -0.5152   -0.5152 0.0000 -0.8214
Atom - Atom Distances (Å)
  N1 H2 H3
N1 1.0553 1.0553
H2 1.0553 1.6429
H3 1.0553 1.6429
Maximum atom distance is 1.6429Å between atoms H2 and H3.
picture of Amino radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 N1 H3 102.230

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