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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

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

PBEPBE/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5490   0.0000 0.5490 0.0000
N2 0.0000 1.2744 -0.1799   1.2744 -0.1799 0.0000
N3 0.0000 -1.2744 -0.1799   -1.2744 -0.1799 0.0000
H4 0.8858 0.0000 1.2077   0.0000 1.2077 0.8858
H5 -0.8858 0.0000 1.2077   0.0000 1.2077 -0.8858
H6 0.8186 1.3155 -0.7978   1.3155 -0.7978 0.8186
H7 -0.8186 1.3155 -0.7978   1.3155 -0.7978 -0.8186
H8 -0.8186 -1.3155 -0.7978   -1.3155 -0.7978 -0.8186
H9 0.8186 -1.3155 -0.7978   -1.3155 -0.7978 0.8186
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4681 1.4681 1.1038 1.1038 2.0529 2.0529 2.0529 2.0529
N2 1.4681 2.5488 2.0818 2.0818 1.0264 1.0264 2.7855 2.7855
N3 1.4681 2.5488 2.0818 2.0818 2.7855 2.7855 1.0264 1.0264
H4 1.1038 2.0818 2.0818 1.7717 2.3994 2.9423 2.9423 2.3994
H5 1.1038 2.0818 2.0818 1.7717 2.9423 2.3994 2.3994 2.9423
H6 2.0529 1.0264 2.7855 2.3994 2.9423 1.6371 3.0987 2.6309
H7 2.0529 1.0264 2.7855 2.9423 2.3994 1.6371 2.6309 3.0987
H8 2.0529 2.7855 1.0264 2.9423 2.3994 3.0987 2.6309 1.6371
H9 2.0529 2.7855 1.0264 2.3994 2.9423 2.6309 3.0987 1.6371
Maximum atom distance is 3.0987Å 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 109.491 C1 N2 H7 109.491
C1 N3 H8 109.491 C1 N3 H9 109.491
N2 C1 H4 107.232 N2 C1 H5 107.232
N3 C1 H4 107.232 N3 C1 H5 107.232
H4 C1 H5 106.739 H6 N2 H7 105.777
H8 N3 H9 105.777

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