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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

1910171554
InChI=1S/CH6N2/c2-1-3/h1-3H2 INChIKey=RTWNYYOXLSILQN-UHFFFAOYSA-N

HF/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5542   0.0000 0.5542 0.0000
N2 0.0000 1.2461 -0.1875   1.2461 -0.1875 0.0000
N3 0.0000 -1.2461 -0.1875   -1.2461 -0.1875 0.0000
H4 0.8711 0.0000 1.1991   0.0000 1.1991 0.8711
H5 -0.8711 0.0000 1.1991   0.0000 1.1991 -0.8711
H6 0.8072 1.3196 -0.7746   1.3196 -0.7746 0.8072
H7 -0.8072 1.3196 -0.7746   1.3196 -0.7746 -0.8072
H8 -0.8072 -1.3196 -0.7746   -1.3196 -0.7746 -0.8072
H9 0.8072 -1.3196 -0.7746   -1.3196 -0.7746 0.8072
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4501 1.4501 1.0838 1.0838 2.0392 2.0392 2.0392 2.0392
N2 1.4501 2.4923 2.0577 2.0577 1.0008 1.0008 2.7530 2.7530
N3 1.4501 2.4923 2.0577 2.0577 2.7530 2.7530 1.0008 1.0008
H4 1.0838 2.0577 2.0577 1.7421 2.3750 2.9074 2.9074 2.3750
H5 1.0838 2.0577 2.0577 1.7421 2.9074 2.3750 2.3750 2.9074
H6 2.0392 1.0008 2.7530 2.3750 2.9074 1.6144 3.0938 2.6392
H7 2.0392 1.0008 2.7530 2.9074 2.3750 1.6144 2.6392 3.0938
H8 2.0392 2.7530 1.0008 2.9074 2.3750 3.0938 2.6392 1.6144
H9 2.0392 2.7530 1.0008 2.3750 2.9074 2.6392 3.0938 1.6144
Maximum atom distance is 3.0938Å between atoms H6 and H8.
picture of diaminomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 N3 118.483
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 111.290 C1 N2 H7 111.290
C1 N3 H8 111.290 C1 N3 H9 111.290
N2 C1 H4 107.717 N2 C1 H5 107.717
N3 C1 H4 107.717 N3 C1 H5 107.717
H4 C1 H5 106.971 H6 N2 H7 107.515
H8 N3 H9 107.515

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