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Geometry for H2NCHCHNH2 (diaminoethylene) 1A C2

1910171554
InChI=1S/C2H6N2/c3-1-2-4/h1-2H,3-4H2/b2-1+ INChIKey=

B2PLYP=FULLultrafine/cc-pVTZ


Point group is C2
Atom Internal
x (Å) y (Å) z (Å)
C1 0.3121 0.5892 0.0343
C2 -0.3121 -0.5892 0.0343
N3 -0.3121 1.8477 -0.1090
N4 0.3121 -1.8477 -0.1090
H5 1.3936 0.6299 0.0378
H6 -1.3936 -0.6299 0.0378
H7 -1.3183 1.7825 -0.0574
H8 1.3183 -1.7825 -0.0574
H9 0.0080 2.5159 0.5769
H10 -0.0080 -2.5159 0.5769
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3336 1.4121 2.4411 1.0823 2.0966 2.0226 2.5780 2.0246 3.1684
C2 1.3336 2.4411 1.4121 2.0966 1.0823 2.5780 2.0226 3.1684 2.0246
N3 1.4121 2.4411 3.7477 2.1010 2.7073 1.0096 3.9799 1.0097 4.4277
N4 2.4411 1.4121 3.7477 2.7073 2.1010 3.9799 1.0096 4.4277 1.0097
H5 1.0823 2.0966 2.1010 2.7073 3.0587 2.9483 2.4154 2.4016 3.4859
H6 2.0966 1.0823 2.7073 2.1010 3.0587 2.4154 2.9483 3.4859 2.4016
H7 2.0226 2.5780 1.0096 3.9799 2.9483 2.4154 4.4341 1.6430 4.5383
H8 2.5780 2.0226 3.9799 1.0096 2.4154 2.9483 4.4341 4.5383 1.6430
H9 2.0246 3.1684 1.0097 4.4277 2.4016 3.4859 1.6430 4.5383 5.0319
H10 3.1684 2.0246 4.4277 1.0097 3.4859 2.4016 4.5383 1.6430 5.0319
Maximum atom distance is 5.0319Å between atoms H9 and H10.
picture of diaminoethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 125.491 C2 C1 N3 125.491
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.065 C1 N3 H7 112.201
C1 N3 H9 112.378 C2 C1 H5 120.065
C2 N4 H8 112.201 C2 N4 H10 112.378
N3 C1 H5 114.118 N4 C2 H6 114.118
H7 N3 H9 108.903 H8 N4 H10 108.903

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