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Geometry for CH3NH2 (methyl amine) 1A' CS

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

PBE1PBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0510 0.6988 0.0000   0.7006 0.0000 0.0094
N2 0.0510 -0.7560 0.0000   -0.7517 0.0000 0.0958
H3 -0.9422 1.1813 0.0000   1.1233 0.0000 -1.0107
H4 0.5943 1.0589 0.8802   1.0924 0.8802 0.5304
H5 0.5943 1.0589 -0.8802   1.0924 -0.8802 0.5304
H6 -0.4546 -1.1000 -0.8112   -1.1250 -0.8112 -0.3885
H7 -0.4546 -1.1000 0.8112   -1.1250 0.8112 -0.3885
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7
C1 1.4549 1.1042 1.0952 1.0952 2.0370 2.0370
N2 1.4549 2.1771 2.0890 2.0890 1.0159 1.0159
H3 1.1042 2.1771 1.7750 1.7750 2.4698 2.4698
H4 1.0952 2.0890 1.7750 1.7604 2.9363 2.4012
H5 1.0952 2.0890 1.7750 1.7604 2.4012 2.9363
H6 2.0370 1.0159 2.4698 2.9363 2.4012 1.6225
H7 2.0370 1.0159 2.4698 2.4012 2.9363 1.6225
Maximum atom distance is 2.9363Å 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 109.789 C1 N2 H7 109.789
N2 C1 H3 115.907 N2 C1 H4 109.195
N2 C1 H5 109.195 H3 C1 H4 107.611
H3 C1 H5 107.611 H4 C1 H5 106.957
H6 N2 H7 105.982

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