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Geometry for NH2CCNH2 (Diaminoacetylene) 1A1 D2D

1910171554
InChI=1S/C2H4N2/c3-1-2-4/h3-4H2 INChIKey=

CISD/3-21G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6058   0.6058 0.0000 0.0000
C2 0.0000 0.0000 -0.6058   -0.6058 0.0000 0.0000
N3 0.0000 0.0000 1.9494   1.9494 0.0000 0.0000
N4 0.0000 0.0000 -1.9494   -1.9494 0.0000 0.0000
H5 0.0000 0.8603 2.4715   2.4715 0.1577 0.8457
H6 0.0000 -0.8603 2.4715   2.4715 -0.1577 -0.8457
H7 0.8603 0.0000 -2.4715   -2.4715 0.8457 -0.1577
H8 -0.8603 0.0000 -2.4715   -2.4715 -0.8457 0.1577
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8
C1 1.2116 1.3436 2.5552 2.0545 2.0545 3.1953 3.1953
C2 1.2116 2.5552 1.3436 3.1953 3.1953 2.0545 2.0545
N3 1.3436 2.5552 3.8989 1.0063 1.0063 4.5039 4.5039
N4 2.5552 1.3436 3.8989 4.5039 4.5039 1.0063 1.0063
H5 2.0545 3.1953 1.0063 4.5039 1.7206 5.0905 5.0905
H6 2.0545 3.1953 1.0063 4.5039 1.7206 5.0905 5.0905
H7 3.1953 2.0545 4.5039 1.0063 5.0905 5.0905 1.7206
H8 3.1953 2.0545 4.5039 1.0063 5.0905 5.0905 1.7206
Maximum atom distance is 5.0905Å between atoms H5 and H7.
picture of Diaminoacetylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 180.000 C2 C1 N3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 121.249 C1 N3 H6 121.249
C2 N4 H7 121.249 C2 N4 H8 121.249
H5 N3 H6 117.501 H7 N4 H8 117.501

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