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Geometry for CH3NH2 (methyl amine) 1A' CS

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

PBE1PBE/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0498 0.7017 0.0000   -0.0028 0.0497 0.7017
N2 0.0498 -0.7552 0.0000   -0.0028 0.0497 -0.7552
H3 -0.9492 1.1747 0.0000   0.0536 -0.9477 1.1747
H4 0.5940 1.0635 0.8827   0.8478 0.6429 1.0635
H5 0.5940 1.0635 -0.8827   -0.9149 0.5432 1.0635
H6 -0.4432 -1.1129 -0.8126   -0.7863 -0.4884 -1.1129
H7 -0.4432 -1.1129 0.8126   0.8364 -0.3966 -1.1129
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7
C1 1.4569 1.1053 1.0983 1.0983 2.0485 2.0485
N2 1.4569 2.1731 2.0935 2.0935 1.0156 1.0156
H3 1.1053 2.1731 1.7813 1.7813 2.4798 2.4798
H4 1.0983 2.0935 1.7813 1.7655 2.9473 2.4119
H5 1.0983 2.0935 1.7813 1.7655 2.4119 2.9473
H6 2.0485 1.0156 2.4798 2.9473 2.4119 1.6253
H7 2.0485 1.0156 2.4798 2.4119 2.9473 1.6253
Maximum atom distance is 2.9473Å 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 110.625 C1 N2 H7 110.625
N2 C1 H3 115.334 N2 C1 H4 109.231
N2 C1 H5 109.231 H3 C1 H4 107.872
H3 C1 H5 107.872 H4 C1 H5 106.979
H6 N2 H7 106.293

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