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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

QCISD/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5594   0.0000 0.5594 0.0000
N2 0.0000 1.2598 -0.1854   1.2598 -0.1854 0.0000
N3 0.0000 -1.2598 -0.1854   -1.2598 -0.1854 0.0000
H4 0.8823 0.0000 1.2084   0.0000 1.2084 0.8823
H5 -0.8823 0.0000 1.2084   0.0000 1.2084 -0.8823
H6 0.8129 1.2941 -0.7945   1.2941 -0.7945 0.8129
H7 -0.8129 1.2941 -0.7945   1.2941 -0.7945 -0.8129
H8 -0.8129 -1.2941 -0.7945   -1.2941 -0.7945 -0.8129
H9 0.8129 -1.2941 -0.7945   -1.2941 -0.7945 0.8129
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4635 1.4635 1.0952 1.0952 2.0417 2.0417 2.0417 2.0417
N2 1.4635 2.5197 2.0756 2.0756 1.0164 1.0164 2.7486 2.7486
N3 1.4635 2.5197 2.0756 2.0756 2.7486 2.7486 1.0164 1.0164
H4 1.0952 2.0756 2.0756 1.7645 2.3856 2.9257 2.9257 2.3856
H5 1.0952 2.0756 2.0756 1.7645 2.9257 2.3856 2.3856 2.9257
H6 2.0417 1.0164 2.7486 2.3856 2.9257 1.6258 3.0566 2.5883
H7 2.0417 1.0164 2.7486 2.9257 2.3856 1.6258 2.5883 3.0566
H8 2.0417 2.7486 1.0164 2.9257 2.3856 3.0566 2.5883 1.6258
H9 2.0417 2.7486 1.0164 2.3856 2.9257 2.5883 3.0566 1.6258
Maximum atom distance is 3.0566Å 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 118.821
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 109.512 C1 N2 H7 109.512
C1 N3 H8 109.512 C1 N3 H9 109.512
N2 C1 H4 107.550 N2 C1 H5 107.550
N3 C1 H4 107.550 N3 C1 H5 107.550
H4 C1 H5 107.325 H6 N2 H7 106.227
H8 N3 H9 106.227

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