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Geometry for CH3NH2 (methyl amine) 1A' CS

1910171554
InChI=1S/CH5N/c1-2/h2H2,1H3 INChIKey=BAVYZALUXZFZLV-UHFFFAOYSA-N

B97D3/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0517 0.7061 0.0000   0.7079 0.0000 0.0099
N2 0.0517 -0.7631 0.0000   -0.7587 0.0000 0.0968
H3 -0.9439 1.1830 0.0000   1.1251 0.0000 -1.0122
H4 0.5939 1.0660 0.8810   1.0993 0.8810 0.5298
H5 0.5939 1.0660 -0.8810   1.0993 -0.8810 0.5298
H6 -0.4583 -1.1049 -0.8103   -1.1301 -0.8103 -0.3921
H7 -0.4583 -1.1049 0.8103   -1.1301 0.8103 -0.3921
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7
C1 1.4692 1.1039 1.0953 1.0953 2.0485 2.0485
N2 1.4692 2.1860 2.1014 2.1014 1.0166 1.0166
H3 1.1039 2.1860 1.7761 1.7761 2.4753 2.4753
H4 1.0953 2.1014 1.7761 1.7620 2.9463 2.4136
H5 1.0953 2.1014 1.7761 1.7620 2.4136 2.9463
H6 2.0485 1.0166 2.4753 2.9463 2.4136 1.6205
H7 2.0485 1.0166 2.4753 2.4136 2.9463 1.6205
Maximum atom distance is 2.9463Å between atoms H4 and H6.
picture of methyl amine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 109.648 C1 N2 H7 109.648
N2 C1 H3 115.596 N2 C1 H4 109.185
N2 C1 H5 109.185 H3 C1 H4 107.726
H3 C1 H5 107.726 H4 C1 H5 107.093
H6 N2 H7 105.695

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