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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

LSDA/3-21G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5370   0.5370 0.0000 0.0000
N2 0.0000 1.2638 -0.1859   -0.1859 0.0000 1.2638
N3 0.0000 -1.2638 -0.1859   -0.1859 0.0000 -1.2638
H4 0.8862 0.0000 1.1977   1.1977 0.8862 0.0000
H5 -0.8862 0.0000 1.1977   1.1977 -0.8862 0.0000
H6 0.8484 1.4099 -0.7538   -0.7538 0.8484 1.4099
H7 -0.8484 1.4099 -0.7538   -0.7538 -0.8484 1.4099
H8 -0.8484 -1.4099 -0.7538   -0.7538 -0.8484 -1.4099
H9 0.8484 -1.4099 -0.7538   -0.7538 0.8484 -1.4099
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4559 1.4559 1.1054 1.1054 2.0913 2.0913 2.0913 2.0913
N2 1.4559 2.5275 2.0729 2.0729 1.0313 1.0313 2.8619 2.8619
N3 1.4559 2.5275 2.0729 2.0729 2.8619 2.8619 1.0313 1.0313
H4 1.1054 2.0729 2.0729 1.7724 2.4078 2.9673 2.9673 2.4078
H5 1.1054 2.0729 2.0729 1.7724 2.9673 2.4078 2.4078 2.9673
H6 2.0913 1.0313 2.8619 2.4078 2.9673 1.6967 3.2909 2.8197
H7 2.0913 1.0313 2.8619 2.9673 2.4078 1.6967 2.8197 3.2909
H8 2.0913 2.8619 1.0313 2.9673 2.4078 3.2909 2.8197 1.6967
H9 2.0913 2.8619 1.0313 2.4078 2.9673 2.8197 3.2909 1.6967
Maximum atom distance is 3.2909Å 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 120.462
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 113.353 C1 N2 H7 113.353
C1 N3 H8 113.353 C1 N3 H9 113.353
N2 C1 H4 107.264 N2 C1 H5 107.264
N3 C1 H4 107.264 N3 C1 H5 107.264
H4 C1 H5 106.585 H6 N2 H7 110.691
H8 N3 H9 110.691

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