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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

B1B95/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5478   0.5478 0.0000 0.0000
N2 0.0000 1.2572 -0.1814   -0.1814 0.0000 1.2572
N3 0.0000 -1.2572 -0.1814   -0.1814 0.0000 -1.2572
H4 0.8770 0.0000 1.1998   1.1998 0.8770 0.0000
H5 -0.8770 0.0000 1.1998   1.1998 -0.8770 0.0000
H6 0.8137 1.3124 -0.7865   -0.7865 0.8137 1.3124
H7 -0.8137 1.3124 -0.7865   -0.7865 -0.8137 1.3124
H8 -0.8137 -1.3124 -0.7865   -0.7865 -0.8137 -1.3124
H9 0.8137 -1.3124 -0.7865   -0.7865 0.8137 -1.3124
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4534 1.4534 1.0928 1.0928 2.0409 2.0409 2.0409 2.0409
N2 1.4534 2.5144 2.0634 2.0634 1.0156 1.0156 2.7625 2.7625
N3 1.4534 2.5144 2.0634 2.0634 2.7625 2.7625 1.0156 1.0156
H4 1.0928 2.0634 2.0634 1.7540 2.3816 2.9200 2.9200 2.3816
H5 1.0928 2.0634 2.0634 1.7540 2.9200 2.3816 2.3816 2.9200
H6 2.0409 1.0156 2.7625 2.3816 2.9200 1.6275 3.0885 2.6249
H7 2.0409 1.0156 2.7625 2.9200 2.3816 1.6275 2.6249 3.0885
H8 2.0409 2.7625 1.0156 2.9200 2.3816 3.0885 2.6249 1.6275
H9 2.0409 2.7625 1.0156 2.3816 2.9200 2.6249 3.0885 1.6275
Maximum atom distance is 3.0885Å 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 119.770
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 110.242 C1 N2 H7 110.242
C1 N3 H8 110.242 C1 N3 H9 110.242
N2 C1 H4 107.419 N2 C1 H5 107.419
N3 C1 H4 107.419 N3 C1 H5 107.419
H4 C1 H5 106.740 H6 N2 H7 106.504
H8 N3 H9 106.504

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