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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/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3176 0.5954 0.0494   0.5499 0.3912 0.0494
C2 -0.3176 -0.5954 0.0494   -0.5499 -0.3912 0.0494
N3 -0.3176 1.8522 -0.0850   1.8776 -0.0777 -0.0850
N4 0.3176 -1.8522 -0.0850   -1.8776 0.0777 -0.0850
H5 1.4047 0.6413 0.0602   0.4561 1.4753 0.0602
H6 -1.4047 -0.6413 0.0602   -0.4561 -1.4753 0.0602
H7 -1.3150 1.8575 -0.2375   2.0106 -1.0662 -0.2375
H8 1.3150 -1.8575 -0.2375   -2.0106 1.0662 -0.2375
H9 0.0265 2.6164 0.4759   2.5915 0.3614 0.4759
H10 -0.0265 -2.6164 0.4759   -2.5915 -0.3614 0.4759
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3497 1.4145 2.4513 1.0882 2.1204 2.0833 2.6635 2.0859 3.2583
C2 1.3497 2.4513 1.4145 2.1204 1.0882 2.6635 2.0833 3.2583 2.0859
N3 1.4145 2.4513 3.7584 2.1103 2.7241 1.0091 4.0559 1.0085 4.5131
N4 2.4513 1.4145 3.7584 2.7241 2.1103 4.0559 1.0091 4.5131 1.0085
H5 1.0882 2.1204 2.1103 2.7241 3.0884 2.9941 2.5181 2.4440 3.5825
H6 2.1204 1.0882 2.7241 2.1103 3.0884 2.5181 2.9941 3.5825 2.4440
H7 2.0833 2.6635 1.0091 4.0559 2.9941 2.5181 4.5517 1.6984 4.7101
H8 2.6635 2.0833 4.0559 1.0091 2.5181 2.9941 4.5517 4.7101 1.6984
H9 2.0859 3.2583 1.0085 4.5131 2.4440 3.5825 1.6984 4.7101 5.2331
H10 3.2583 2.0859 4.5131 1.0085 3.5825 2.4440 4.7101 1.6984 5.2331
Maximum atom distance is 5.2331Å 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 124.935 C2 C1 N3 124.935
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.486 C1 N3 H7 117.572
C1 N3 H9 117.858 C2 C1 H5 120.486
C2 N4 H8 117.572 C2 N4 H10 117.858
N3 C1 H5 114.336 N4 C2 H6 114.336
H7 N3 H9 114.666 H8 N4 H10 114.666

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