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Geometry for CH3NH2 (methyl amine) 1A' CS

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

B3LYP/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0344 0.7228 0.0000   0.7236 0.0000 0.0041
N2 0.0344 -0.7579 0.0000   -0.7558 0.0000 0.0661
H3 -0.9752 1.1950 0.0000   1.1531 0.0000 -1.0244
H4 0.5793 1.0869 0.8887   1.1101 0.8887 0.5332
H5 0.5793 1.0869 -0.8887   1.1101 -0.8887 0.5332
H6 -0.3150 -1.2001 -0.8497   -1.2122 -0.8497 -0.2645
H7 -0.3150 -1.2001 0.8497   -1.2122 0.8497 -0.2645
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7
C1 1.4807 1.1146 1.1042 1.1042 2.1311 2.1311
N2 1.4807 2.1984 2.1189 2.1189 1.0196 1.0196
H3 1.1146 2.1984 1.7938 1.7938 2.6257 2.6257
H4 1.1042 2.1189 1.7938 1.7773 3.0086 2.4559
H5 1.1042 2.1189 1.7938 1.7773 2.4559 3.0086
H6 2.1311 1.0196 2.6257 3.0086 2.4559 1.6995
H7 2.1311 1.0196 2.6257 2.4559 3.0086 1.6995
Maximum atom distance is 3.0086Å 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 115.701 C1 N2 H7 115.701
N2 C1 H3 115.065 N2 C1 H4 109.251
N2 C1 H5 109.251 H3 C1 H4 107.898
H3 C1 H5 107.898 H4 C1 H5 107.190
H6 N2 H7 112.891

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