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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

B3LYP/LANL2DZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5468   0.5468 0.0000 0.0000
N2 0.0000 1.2689 -0.2004   -0.2004 0.0000 1.2689
N3 0.0000 -1.2689 -0.2004   -0.2004 0.0000 -1.2689
H4 0.8815 0.0000 1.1978   1.1978 0.8815 0.0000
H5 -0.8815 0.0000 1.1978   1.1978 -0.8815 0.0000
H6 0.8478 1.4830 -0.7178   -0.7178 0.8478 1.4830
H7 -0.8478 1.4830 -0.7178   -0.7178 -0.8478 1.4830
H8 -0.8478 -1.4830 -0.7178   -0.7178 -0.8478 -1.4830
H9 0.8478 -1.4830 -0.7178   -0.7178 0.8478 -1.4830
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4726 1.4726 1.0958 1.0958 2.1254 2.1254 2.1254 2.1254
N2 1.4726 2.5378 2.0838 2.0838 1.0160 1.0160 2.9256 2.9256
N3 1.4726 2.5378 2.0838 2.0838 2.9256 2.9256 1.0160 1.0160
H4 1.0958 2.0838 2.0838 1.7630 2.4227 2.9764 2.9764 2.4227
H5 1.0958 2.0838 2.0838 1.7630 2.9764 2.4227 2.4227 2.9764
H6 2.1254 1.0160 2.9256 2.4227 2.9764 1.6957 3.4164 2.9659
H7 2.1254 1.0160 2.9256 2.9764 2.4227 1.6957 2.9659 3.4164
H8 2.1254 2.9256 1.0160 2.9764 2.4227 3.4164 2.9659 1.6957
H9 2.1254 2.9256 1.0160 2.4227 2.9764 2.9659 3.4164 1.6957
Maximum atom distance is 3.4164Å 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 119.014
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 116.098 C1 N2 H7 116.098
C1 N3 H8 116.098 C1 N3 H9 116.098
N2 C1 H4 107.544 N2 C1 H5 107.544
N3 C1 H4 107.544 N3 C1 H5 107.544
H4 C1 H5 107.111 H6 N2 H7 113.122
H8 N3 H9 113.122

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