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Geometry for NH2CCNH2 (Diaminoacetylene) 1A1 D2D

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

QCISD/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 0.6114   0.6114 0.0000 0.0000
C2 0.0000 0.0000 -0.6114   -0.6114 0.0000 0.0000
N3 0.0000 0.0000 1.9621   1.9621 0.0000 0.0000
N4 0.0000 0.0000 -1.9621   -1.9621 0.0000 0.0000
H5 0.0000 0.8650 2.4872   2.4872 0.8650 0.0000
H6 0.0000 -0.8650 2.4872   2.4872 -0.8650 0.0000
H7 0.8650 0.0000 -2.4872   -2.4872 0.0000 0.8650
H8 -0.8650 0.0000 -2.4872   -2.4872 0.0000 -0.8650
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8
C1 1.2228 1.3507 2.5735 2.0656 2.0656 3.2170 3.2170
C2 1.2228 2.5735 1.3507 3.2170 3.2170 2.0656 2.0656
N3 1.3507 2.5735 3.9241 1.0119 1.0119 4.5326 4.5326
N4 2.5735 1.3507 3.9241 4.5326 4.5326 1.0119 1.0119
H5 2.0656 3.2170 1.0119 4.5326 1.7300 5.1226 5.1226
H6 2.0656 3.2170 1.0119 4.5326 1.7300 5.1226 5.1226
H7 3.2170 2.0656 4.5326 1.0119 5.1226 5.1226 1.7300
H8 3.2170 2.0656 4.5326 1.0119 5.1226 5.1226 1.7300
Maximum atom distance is 5.1226Å 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 121.260 C1 N3 H6 121.260
C2 N4 H7 121.260 C2 N4 H8 121.260
H5 N3 H6 117.481 H7 N4 H8 117.481

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