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Geometry for HNCCNH (Ethenediimine) 1AG C2H

1910171554
InChI=1S/C2H2N2/c3-1-2-4/h3-4H INChIKey=RUTRGUOJQDNDCQ-UHFFFAOYSA-N

B3PW91/6-311G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2325 -0.6042 0.0000   -0.6363 0.1193 0.0000
C2 -0.2325 0.6042 0.0000   0.6363 -0.1193 0.0000
N3 0.2325 -1.8457 0.0000   -1.8573 -0.1055 0.0000
N4 -0.2325 1.8457 0.0000   1.8573 0.1055 0.0000
H5 1.1776 -2.2415 0.0000   -2.4177 0.7523 0.0000
H6 -1.1776 2.2415 0.0000   2.4177 -0.7523 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6
C1 1.2948 1.2415 2.4936 1.8905 3.1759
C2 1.2948 2.4936 1.2415 3.1759 1.8905
N3 1.2415 2.4936 3.7206 1.0247 4.3236
N4 2.4936 1.2415 3.7206 4.3236 1.0247
H5 1.8905 3.1759 1.0247 4.3236 5.0641
H6 3.1759 1.8905 4.3236 1.0247 5.0641
Maximum atom distance is 5.0641Å between atoms H5 and H6.
picture of Ethenediimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 158.950 C2 C1 N3 158.950
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 112.725 C2 N4 H6 112.725

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