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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=FULL/6-31+G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3150 0.5926 0.0406   0.6283 0.2360 0.0406
C2 -0.3150 -0.5926 0.0406   -0.6283 -0.2360 0.0406
N3 -0.3150 1.8524 -0.1093   1.7963 -0.5513 -0.1093
N4 0.3150 -1.8524 -0.1093   -1.7963 0.5513 -0.1093
H5 1.4002 0.6396 0.0405   0.8148 1.3060 0.0405
H6 -1.4002 -0.6396 0.0405   -0.8148 -1.3060 0.0405
H7 -1.3258 1.7943 -0.0858   1.6083 -1.5461 -0.0858
H8 1.3258 -1.7943 -0.0858   -1.6083 1.5461 -0.0858
H9 0.0004 2.5367 0.5672   2.5156 -0.3268 0.5672
H10 -0.0004 -2.5367 0.5672   -2.5156 0.3268 0.5672
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3423 1.4165 2.4496 1.0862 2.1119 2.0377 2.5952 2.0386 3.1890
C2 1.3423 2.4496 1.4165 2.1119 1.0862 2.5952 2.0377 3.1890 2.0386
N3 1.4165 2.4496 3.7581 2.1061 2.7221 1.0127 3.9989 1.0126 4.4521
N4 2.4496 1.4165 3.7581 2.7221 2.1061 3.9989 1.0127 4.4521 1.0126
H5 1.0862 2.1119 2.1061 2.7221 3.0787 2.9632 2.4383 2.4158 3.5111
H6 2.1119 1.0862 2.7221 2.1061 3.0787 2.4383 2.9632 3.5111 2.4158
H7 2.0377 2.5952 1.0127 3.9989 2.9632 2.4383 4.4619 1.6542 4.5761
H8 2.5952 2.0377 3.9989 1.0127 2.4383 2.9632 4.4619 4.5761 1.6542
H9 2.0386 3.1890 1.0126 4.4521 2.4158 3.5111 1.6542 4.5761 5.0734
H10 3.1890 2.0386 4.4521 1.0126 3.5111 2.4158 4.5761 1.6542 5.0734
Maximum atom distance is 5.0734Å 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 125.207 C2 C1 N3 125.207
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.472 C1 N3 H7 112.980
C1 N3 H9 113.063 C2 C1 H5 120.472
C2 N4 H8 112.980 C2 N4 H10 113.063
N3 C1 H5 113.948 N4 C2 H6 113.948
H7 N3 H9 109.521 H8 N4 H10 109.521

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