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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

HF/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5353   0.5353 0.0000 0.0000
N2 0.0000 1.2742 -0.1800   -0.1800 0.0000 1.2742
N3 0.0000 -1.2742 -0.1800   -0.1800 0.0000 -1.2742
H4 0.8708 0.0000 1.1747   1.1747 0.8708 0.0000
H5 -0.8708 0.0000 1.1747   1.1747 -0.8708 0.0000
H6 0.8056 1.3653 -0.7605   -0.7605 0.8056 1.3653
H7 -0.8056 1.3653 -0.7605   -0.7605 -0.8056 1.3653
H8 -0.8056 -1.3653 -0.7605   -0.7605 -0.8056 -1.3653
H9 0.8056 -1.3653 -0.7605   -0.7605 0.8056 -1.3653
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4613 1.4613 1.0803 1.0803 2.0476 2.0476 2.0476 2.0476
N2 1.4613 2.5484 2.0536 2.0536 0.9972 0.9972 2.8202 2.8202
N3 1.4613 2.5484 2.0536 2.0536 2.8202 2.8202 0.9972 0.9972
H4 1.0803 2.0536 2.0536 1.7416 2.3693 2.9017 2.9017 2.3693
H5 1.0803 2.0536 2.0536 1.7416 2.9017 2.3693 2.3693 2.9017
H6 2.0476 0.9972 2.8202 2.3693 2.9017 1.6113 3.1706 2.7307
H7 2.0476 0.9972 2.8202 2.9017 2.3693 1.6113 2.7307 3.1706
H8 2.0476 2.8202 0.9972 2.9017 2.3693 3.1706 2.7307 1.6113
H9 2.0476 2.8202 0.9972 2.3693 2.9017 2.7307 3.1706 1.6113
Maximum atom distance is 3.1706Å 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 121.383
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 111.387 C1 N2 H7 111.387
C1 N3 H8 111.387 C1 N3 H9 111.387
N2 C1 H4 106.841 N2 C1 H5 106.841
N3 C1 H4 106.841 N3 C1 H5 106.841
H4 C1 H5 107.425 H6 N2 H7 107.783
H8 N3 H9 107.783

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