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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

BLYP/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5546   0.5546 0.0000 0.0000
N2 0.0000 1.2832 -0.1813   -0.1813 0.0000 1.2832
N3 0.0000 -1.2832 -0.1813   -0.1813 0.0000 -1.2832
H4 0.8873 0.0000 1.2089   1.2089 0.8873 0.0000
H5 -0.8873 0.0000 1.2089   1.2089 -0.8873 0.0000
H6 0.8190 1.3214 -0.8017   -0.8017 0.8190 1.3214
H7 -0.8190 1.3214 -0.8017   -0.8017 -0.8190 1.3214
H8 -0.8190 -1.3214 -0.8017   -0.8017 -0.8190 -1.3214
H9 0.8190 -1.3214 -0.8017   -0.8017 0.8190 -1.3214
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4793 1.4793 1.1024 1.1024 2.0631 2.0631 2.0631 2.0631
N2 1.4793 2.5664 2.0896 2.0896 1.0281 1.0281 2.8000 2.8000
N3 1.4793 2.5664 2.0896 2.0896 2.8000 2.8000 1.0281 1.0281
H4 1.1024 2.0896 2.0896 1.7745 2.4069 2.9496 2.9496 2.4069
H5 1.1024 2.0896 2.0896 1.7745 2.9496 2.4069 2.4069 2.9496
H6 2.0631 1.0281 2.8000 2.4069 2.9496 1.6380 3.1094 2.6429
H7 2.0631 1.0281 2.8000 2.9496 2.4069 1.6380 2.6429 3.1094
H8 2.0631 2.8000 1.0281 2.9496 2.4069 3.1094 2.6429 1.6380
H9 2.0631 2.8000 1.0281 2.4069 2.9496 2.6429 3.1094 1.6380
Maximum atom distance is 3.1094Å 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 120.331
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 109.416 C1 N2 H7 109.416
C1 N3 H8 109.416 C1 N3 H9 109.416
N2 C1 H4 107.174 N2 C1 H5 107.174
N3 C1 H4 107.174 N3 C1 H5 107.174
H4 C1 H5 107.188 H6 N2 H7 105.615
H8 N3 H9 105.615

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