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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

PBE1PBE/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 0.5484   0.0000 0.5484 0.0000
N2 0.0000 1.2714 -0.1888   1.2714 -0.1888 0.0000
N3 0.0000 -1.2714 -0.1888   -1.2714 -0.1888 0.0000
H4 0.8819 0.0000 1.1966   0.0000 1.1966 0.8819
H5 -0.8819 0.0000 1.1966   0.0000 1.1966 -0.8819
H6 0.8383 1.3984 -0.7602   1.3984 -0.7602 0.8383
H7 -0.8383 1.3984 -0.7602   1.3984 -0.7602 -0.8383
H8 -0.8383 -1.3984 -0.7602   -1.3984 -0.7602 -0.8383
H9 0.8383 -1.3984 -0.7602   -1.3984 -0.7602 0.8383
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4697 1.4697 1.0945 1.0945 2.0906 2.0906 2.0906 2.0906
N2 1.4697 2.5428 2.0769 2.0769 1.0225 1.0225 2.8561 2.8561
N3 1.4697 2.5428 2.0769 2.0769 2.8561 2.8561 1.0225 1.0225
H4 1.0945 2.0769 2.0769 1.7639 2.4055 2.9570 2.9570 2.4055
H5 1.0945 2.0769 2.0769 1.7639 2.9570 2.4055 2.4055 2.9570
H6 2.0906 1.0225 2.8561 2.4055 2.9570 1.6767 3.2609 2.7968
H7 2.0906 1.0225 2.8561 2.9570 2.4055 1.6767 2.7968 3.2609
H8 2.0906 2.8561 1.0225 2.9570 2.4055 3.2609 2.7968 1.6767
H9 2.0906 2.8561 1.0225 2.4055 2.9570 2.7968 3.2609 1.6767
Maximum atom distance is 3.2609Å 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 119.790
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 112.814 C1 N2 H7 112.814
C1 N3 H8 112.814 C1 N3 H9 112.814
N2 C1 H4 107.280 N2 C1 H5 107.280
N3 C1 H4 107.280 N3 C1 H5 107.280
H4 C1 H5 107.373 H6 N2 H7 110.152
H8 N3 H9 110.152

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