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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

mPW1PW91/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5488   0.5488 0.0000 0.0000
N2 0.0000 1.2569 -0.1836   -0.1836 0.0000 1.2569
N3 0.0000 -1.2569 -0.1836   -0.1836 0.0000 -1.2569
H4 0.8812 0.0000 1.2031   1.2031 0.8812 0.0000
H5 -0.8812 0.0000 1.2031   1.2031 -0.8812 0.0000
H6 0.8168 1.3327 -0.7823   -0.7823 0.8168 1.3327
H7 -0.8168 1.3327 -0.7823   -0.7823 -0.8168 1.3327
H8 -0.8168 -1.3327 -0.7823   -0.7823 -0.8168 -1.3327
H9 0.8168 -1.3327 -0.7823   -0.7823 0.8168 -1.3327
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4548 1.4548 1.0975 1.0975 2.0531 2.0531 2.0531 2.0531
N2 1.4548 2.5139 2.0686 2.0686 1.0156 1.0156 2.7806 2.7806
N3 1.4548 2.5139 2.0686 2.0686 2.7806 2.7806 1.0156 1.0156
H4 1.0975 2.0686 2.0686 1.7623 2.3921 2.9328 2.9328 2.3921
H5 1.0975 2.0686 2.0686 1.7623 2.9328 2.3921 2.3921 2.9328
H6 2.0531 1.0156 2.7806 2.3921 2.9328 1.6336 3.1261 2.6654
H7 2.0531 1.0156 2.7806 2.9328 2.3921 1.6336 2.6654 3.1261
H8 2.0531 2.7806 1.0156 2.9328 2.3921 3.1261 2.6654 1.6336
H9 2.0531 2.7806 1.0156 2.3921 2.9328 2.6654 3.1261 1.6336
Maximum atom distance is 3.1261Å 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 119.541
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 111.179 C1 N2 H7 111.179
C1 N3 H8 111.179 C1 N3 H9 111.179
N2 C1 H4 107.466 N2 C1 H5 107.466
N3 C1 H4 107.466 N3 C1 H5 107.466
H4 C1 H5 106.810 H6 N2 H7 107.080
H8 N3 H9 107.080

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