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Geometry for CH3NH2 (methyl amine) 1A' CS

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

B3LYPultrafine/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0530 0.7016 0.0000   0.7035 0.0000 0.0102
N2 0.0530 -0.7621 0.0000   -0.7575 0.0000 0.0993
H3 -0.9454 1.1910 0.0000   1.1312 0.0000 -1.0161
H4 0.5990 1.0682 0.8854   1.1027 0.8854 0.5328
H5 0.5990 1.0682 -0.8854   1.1027 -0.8854 0.5328
H6 -0.4708 -1.1009 -0.8104   -1.1276 -0.8104 -0.4029
H7 -0.4708 -1.1009 0.8104   -1.1276 0.8104 -0.4029
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7
C1 1.4637 1.1119 1.1029 1.1029 2.0445 2.0445
N2 1.4637 2.1935 2.1053 2.1053 1.0227 1.0227
H3 1.1119 2.1935 1.7844 1.7844 2.4768 2.4768
H4 1.1029 2.1053 1.7844 1.7708 2.9539 2.4198
H5 1.1029 2.1053 1.7844 1.7708 2.4198 2.9539
H6 2.0445 1.0227 2.4768 2.9539 2.4198 1.6208
H7 2.0445 1.0227 2.4768 2.4198 2.9539 1.6208
Maximum atom distance is 2.9539Å 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 109.346 C1 N2 H7 109.346
N2 C1 H3 116.115 N2 C1 H4 109.417
N2 C1 H5 109.417 H3 C1 H4 107.346
H3 C1 H5 107.346 H4 C1 H5 106.792
H6 N2 H7 104.819

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