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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

CID/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5603   0.5603 0.0000 0.0000
N2 0.0000 1.2778 -0.1923   -0.1923 0.0000 1.2778
N3 0.0000 -1.2778 -0.1923   -0.1923 0.0000 -1.2778
H4 0.8825 0.0000 1.2017   1.2017 0.8825 0.0000
H5 -0.8825 0.0000 1.2017   1.2017 -0.8825 0.0000
H6 0.8337 1.3854 -0.7683   -0.7683 0.8337 1.3854
H7 -0.8337 1.3854 -0.7683   -0.7683 -0.8337 1.3854
H8 -0.8337 -1.3854 -0.7683   -0.7683 -0.8337 -1.3854
H9 0.8337 -1.3854 -0.7683   -0.7683 0.8337 -1.3854
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4830 1.4830 1.0910 1.0910 2.0928 2.0928 2.0928 2.0928
N2 1.4830 2.5556 2.0869 2.0869 1.0190 1.0190 2.8495 2.8495
N3 1.4830 2.5556 2.0869 2.0869 2.8495 2.8495 1.0190 1.0190
H4 1.0910 2.0869 2.0869 1.7650 2.4089 2.9573 2.9573 2.4089
H5 1.0910 2.0869 2.0869 1.7650 2.9573 2.4089 2.4089 2.9573
H6 2.0928 1.0190 2.8495 2.4089 2.9573 1.6675 3.2339 2.7708
H7 2.0928 1.0190 2.8495 2.9573 2.4089 1.6675 2.7708 3.2339
H8 2.0928 2.8495 1.0190 2.9573 2.4089 3.2339 2.7708 1.6675
H9 2.0928 2.8495 1.0190 2.4089 2.9573 2.7708 3.2339 1.6675
Maximum atom distance is 3.2339Å 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 119.006
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 112.199 C1 N2 H7 112.199
C1 N3 H8 112.199 C1 N3 H9 112.199
N2 C1 H4 107.360 N2 C1 H5 107.360
N3 C1 H4 107.360 N3 C1 H5 107.360
H4 C1 H5 107.979 H6 N2 H7 109.801
H8 N3 H9 109.801

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