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Geometry for CH3NH2 (methyl amine) 1A' CS

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

B2PLYP/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0363 0.7140 0.0000   0.7149 0.0000 0.0047
N2 0.0363 -0.7513 0.0000   -0.7489 0.0000 0.0695
H3 -0.9611 1.1871 0.0000   1.1434 0.0000 -1.0127
H4 0.5760 1.0737 0.8809   1.0981 0.8809 0.5280
H5 0.5760 1.0737 -0.8809   1.0981 -0.8809 0.5280
H6 -0.3316 -1.1799 -0.8388   -1.1934 -0.8388 -0.2791
H7 -0.3316 -1.1799 0.8388   -1.1934 0.8388 -0.2791
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7
C1 1.4653 1.1040 1.0939 1.0939 2.1037 2.1037
N2 1.4653 2.1800 2.0971 2.0971 1.0112 1.0112
H3 1.1040 2.1800 1.7753 1.7753 2.5889 2.5889
H4 1.0939 2.0971 1.7753 1.7618 2.9765 2.4298
H5 1.0939 2.0971 1.7753 1.7618 2.4298 2.9765
H6 2.1037 1.0112 2.5889 2.9765 2.4298 1.6775
H7 2.1037 1.0112 2.5889 2.4298 2.9765 1.6775
Maximum atom distance is 2.9765Å 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 115.077 C1 N2 H7 115.077
N2 C1 H3 115.375 N2 C1 H4 109.195
N2 C1 H5 109.195 H3 C1 H4 107.751
H3 C1 H5 107.751 H4 C1 H5 107.274
H6 N2 H7 112.085

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