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Geometry for CH3NH2 (methyl amine) 1A' CS

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

BLYP/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0518 0.7115 0.0000   -0.0031 0.0517 0.7115
N2 0.0518 -0.7677 0.0000   -0.0031 0.0517 -0.7677
H3 -0.9449 1.1894 0.0000   0.0571 -0.9431 1.1894
H4 0.5957 1.0700 0.8826   0.8450 0.6479 1.0700
H5 0.5957 1.0700 -0.8826   -0.9169 0.5413 1.0700
H6 -0.4596 -1.1124 -0.8144   -0.7851 -0.5080 -1.1124
H7 -0.4596 -1.1124 0.8144   0.8406 -0.4096 -1.1124
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7
C1 1.4792 1.1053 1.0969 1.0969 2.0619 2.0619
N2 1.4792 2.1962 2.1099 2.1099 1.0215 1.0215
H3 1.1053 2.1962 1.7794 1.7794 2.4894 2.4894
H4 1.0969 2.1099 1.7794 1.7651 2.9591 2.4251
H5 1.0969 2.1099 1.7794 1.7651 2.4251 2.9591
H6 2.0619 1.0215 2.4894 2.9591 2.4251 1.6287
H7 2.0619 1.0215 2.4894 2.4251 2.9591 1.6287
Maximum atom distance is 2.9591Å 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 109.725 C1 N2 H7 109.725
N2 C1 H3 115.620 N2 C1 H4 109.076
N2 C1 H5 109.076 H3 C1 H4 107.805
H3 C1 H5 107.805 H4 C1 H5 107.136
H6 N2 H7 105.723

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