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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=

G3B3
This model chemistry uses a geometry from B3LYP/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3124 0.5931 0.0376   0.6286 0.2326 0.0376
C2 -0.3124 -0.5931 0.0376   -0.6286 -0.2326 0.0376
N3 -0.3124 1.8560 -0.1130   1.7996 -0.5510 -0.1130
N4 0.3124 -1.8560 -0.1130   -1.7996 0.5510 -0.1130
H5 1.4015 0.6415 0.0393   0.8182 1.3062 0.0393
H6 -1.4015 -0.6415 0.0393   -0.8182 -1.3062 0.0393
H7 -1.3257 1.7862 -0.0631   1.5987 -1.5466 -0.0631
H8 1.3257 -1.7862 -0.0631   -1.5987 1.5466 -0.0631
H9 -0.0021 2.5243 0.5891   2.5026 -0.3302 0.5891
H10 0.0021 -2.5243 0.5891   -2.5026 0.3302 0.5891
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3406 1.4170 2.4537 1.0902 2.1122 2.0290 2.5880 2.0329 3.1809
C2 1.3406 2.4537 1.4170 2.1122 1.0902 2.5880 2.0290 3.1809 2.0329
N3 1.4170 2.4537 3.7641 2.1060 2.7289 1.0170 3.9939 1.0177 4.4473
N4 2.4537 1.4170 3.7641 2.7289 2.1060 3.9939 1.0170 4.4473 1.0177
H5 1.0902 2.1122 2.1060 2.7289 3.0826 2.9594 2.4310 2.4119 3.5047
H6 2.1122 1.0902 2.7289 2.1060 3.0826 2.4310 2.9594 3.5047 2.4119
H7 2.0290 2.5880 1.0170 3.9939 2.9594 2.4310 4.4488 1.6499 4.5572
H8 2.5880 2.0290 3.9939 1.0170 2.4310 2.9594 4.4488 4.5572 1.6499
H9 2.0329 3.1809 1.0177 4.4473 2.4119 3.5047 1.6499 4.5572 5.0486
H10 3.1809 2.0329 4.4473 1.0177 3.5047 2.4119 4.5572 1.6499 5.0486
Maximum atom distance is 5.0486Å 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 125.643 C2 C1 N3 125.643
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.332 C1 N3 H7 111.893
C1 N3 H9 112.160 C2 C1 H5 120.332
C2 N4 H8 111.893 C2 N4 H10 112.160
N3 C1 H5 113.652 N4 C2 H6 113.652
H7 N3 H9 108.385 H8 N4 H10 108.385

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