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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

CCSD(T)=FULL/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5554   0.0000 0.5554 0.0000
N2 0.0000 1.2548 -0.1843   1.2548 -0.1843 0.0000
N3 0.0000 -1.2548 -0.1843   -1.2548 -0.1843 0.0000
H4 0.8743 0.0000 1.2009   0.0000 1.2009 0.8743
H5 -0.8743 0.0000 1.2009   0.0000 1.2009 -0.8743
H6 0.8107 1.2970 -0.7886   1.2970 -0.7886 0.8107
H7 -0.8107 1.2970 -0.7886   1.2970 -0.7886 -0.8107
H8 -0.8107 -1.2970 -0.7886   -1.2970 -0.7886 -0.8107
H9 0.8107 -1.2970 -0.7886   -1.2970 -0.7886 0.8107
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4566 1.4566 1.0868 1.0868 2.0361 2.0361 2.0361 2.0361
N2 1.4566 2.5096 2.0634 2.0634 1.0120 1.0120 2.7448 2.7448
N3 1.4566 2.5096 2.0634 2.0634 2.7448 2.7448 1.0120 1.0120
H4 1.0868 2.0634 2.0634 1.7487 2.3757 2.9120 2.9120 2.3757
H5 1.0868 2.0634 2.0634 1.7487 2.9120 2.3757 2.3757 2.9120
H6 2.0361 1.0120 2.7448 2.3757 2.9120 1.6214 3.0591 2.5940
H7 2.0361 1.0120 2.7448 2.9120 2.3757 1.6214 2.5940 3.0591
H8 2.0361 2.7448 1.0120 2.9120 2.3757 3.0591 2.5940 1.6214
H9 2.0361 2.7448 1.0120 2.3757 2.9120 2.5940 3.0591 1.6214
Maximum atom distance is 3.0591Å 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 118.958
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 109.828 C1 N2 H7 109.828
C1 N3 H8 109.828 C1 N3 H9 109.828
N2 C1 H4 107.555 N2 C1 H5 107.555
N3 C1 H4 107.555 N3 C1 H5 107.555
H4 C1 H5 107.131 H6 N2 H7 106.468
H8 N3 H9 106.468

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