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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

TPSSh/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 0.5410   0.5410 0.0000 0.0000
N2 0.0000 1.2853 -0.1795   -0.1795 0.0000 1.2853
N3 0.0000 -1.2853 -0.1795   -0.1795 0.0000 -1.2853
H4 0.8837 0.0000 1.1835   1.1835 0.8837 0.0000
H5 -0.8837 0.0000 1.1835   1.1835 -0.8837 0.0000
H6 0.8183 1.3510 -0.7751   -0.7751 0.8183 1.3510
H7 -0.8183 1.3510 -0.7751   -0.7751 -0.8183 1.3510
H8 -0.8183 -1.3510 -0.7751   -0.7751 -0.8183 -1.3510
H9 0.8183 -1.3510 -0.7751   -0.7751 0.8183 -1.3510
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4735 1.4735 1.0926 1.0926 2.0559 2.0559 2.0559 2.0559
N2 1.4735 2.5707 2.0715 2.0715 1.0142 1.0142 2.8240 2.8240
N3 1.4735 2.5707 2.0715 2.0715 2.8240 2.8240 1.0142 1.0142
H4 1.0926 2.0715 2.0715 1.7675 2.3803 2.9255 2.9255 2.3803
H5 1.0926 2.0715 2.0715 1.7675 2.9255 2.3803 2.3803 2.9255
H6 2.0559 1.0142 2.8240 2.3803 2.9255 1.6366 3.1590 2.7020
H7 2.0559 1.0142 2.8240 2.9255 2.3803 1.6366 2.7020 3.1590
H8 2.0559 2.8240 1.0142 2.9255 2.3803 3.1590 2.7020 1.6366
H9 2.0559 2.8240 1.0142 2.3803 2.9255 2.7020 3.1590 1.6366
Maximum atom distance is 3.1590Å 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 121.455
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 110.098 C1 N2 H7 110.098
C1 N3 H8 110.098 C1 N3 H9 110.098
N2 C1 H4 106.711 N2 C1 H5 106.711
N3 C1 H4 106.711 N3 C1 H5 106.711
H4 C1 H5 107.960 H6 N2 H7 107.572
H8 N3 H9 107.572

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