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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

MP2/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5554   0.5554 0.0000 0.0000
N2 0.0000 1.2584 -0.1832   -0.1832 0.0000 1.2584
N3 0.0000 -1.2584 -0.1832   -0.1832 0.0000 -1.2584
H4 0.8786 0.0000 1.2031   1.2031 0.8786 0.0000
H5 -0.8786 0.0000 1.2031   1.2031 -0.8786 0.0000
H6 0.8097 1.2926 -0.7933   -0.7933 0.8097 1.2926
H7 -0.8097 1.2926 -0.7933   -0.7933 -0.8097 1.2926
H8 -0.8097 -1.2926 -0.7933   -0.7933 -0.8097 -1.2926
H9 0.8097 -1.2926 -0.7933   -0.7933 0.8097 -1.2926
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4592 1.4592 1.0915 1.0915 2.0361 2.0361 2.0361 2.0361
N2 1.4592 2.5169 2.0682 2.0682 1.0144 1.0144 2.7451 2.7451
N3 1.4592 2.5169 2.0682 2.0682 2.7451 2.7451 1.0144 1.0144
H4 1.0915 2.0682 2.0682 1.7572 2.3793 2.9167 2.9167 2.3793
H5 1.0915 2.0682 2.0682 1.7572 2.9167 2.3793 2.3793 2.9167
H6 2.0361 1.0144 2.7451 2.3793 2.9167 1.6195 3.0506 2.5853
H7 2.0361 1.0144 2.7451 2.9167 2.3793 1.6195 2.5853 3.0506
H8 2.0361 2.7451 1.0144 2.9167 2.3793 3.0506 2.5853 1.6195
H9 2.0361 2.7451 1.0144 2.3793 2.9167 2.5853 3.0506 1.6195
Maximum atom distance is 3.0506Å 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 119.179
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 109.482 C1 N2 H7 109.482
C1 N3 H8 109.482 C1 N3 H9 109.482
N2 C1 H4 107.479 N2 C1 H5 107.479
N3 C1 H4 107.479 N3 C1 H5 107.479
H4 C1 H5 107.209 H6 N2 H7 105.922
H8 N3 H9 105.922

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