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 N2H2 ((Z)-Diazene) 1A1 C2V

1910171554
InChI=1S/H2N2/c1-2/h1-2H/b2-1- INChIKey=RAABOESOVLLHRU-UPHRSURJSA-N

B3LYP/LANL2DZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.6360 -0.1191   -0.1191 0.0000 0.6360
N2 0.0000 -0.6360 -0.1191   -0.1191 0.0000 -0.6360
H3 0.0000 1.0933 0.8337   0.8337 0.0000 1.0933
H4 0.0000 -1.0933 0.8337   0.8337 0.0000 -1.0933
Atom - Atom Distances (Å)
  N1 N2 H3 H4
N1 1.2720 1.0569 1.9744
N2 1.2720 1.9744 1.0569
H3 1.0569 1.9744 2.1867
H4 1.9744 1.0569 2.1867
Maximum atom distance is 2.1867Å between atoms H3 and H4.
picture of (Z)-Diazene
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
N1 N2 H4 115.641 N2 N1 H3 115.641

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