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Geometry for CH3NH3 (methyl ammonium radical) 2A1 C3V

1910171554
InChI=1S/CH6N/c1-2/h1-2H3 INChIKey=LRGWETHRDQOAES-UHFFFAOYSA-N

HF/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.7885   0.0000 0.7885 -0.0000
N2 0.0000 0.0000 0.6978   0.0000 -0.6978 0.0000
H3 0.0000 -1.0231 -1.1298   -1.0231 1.1298 -0.0000
H4 -0.8861 0.5116 -1.1298   0.5116 1.1298 0.8861
H5 0.8861 0.5116 -1.1298   0.5116 1.1298 -0.8861
H6 0.0000 0.9643 1.0787   0.9643 -1.0787 0.0000
H7 -0.8351 -0.4822 1.0787   -0.4822 -1.0787 0.8351
H8 0.8351 -0.4822 1.0787   -0.4822 -1.0787 -0.8351
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7 H8
C1 1.4863 1.0785 1.0785 1.0785 2.1015 2.1015 2.1015
N2 1.4863 2.0944 2.0944 2.0944 1.0368 1.0368 1.0368
H3 1.0785 2.0944 1.7721 1.7721 2.9710 2.4223 2.4223
H4 1.0785 2.0944 1.7721 1.7721 2.4223 2.4223 2.9710
H5 1.0785 2.0944 1.7721 1.7721 2.4223 2.9710 2.4223
H6 2.1015 1.0368 2.9710 2.4223 2.4223 1.6702 1.6702
H7 2.1015 1.0368 2.4223 2.4223 2.9710 1.6702 1.6702
H8 2.1015 1.0368 2.4223 2.9710 2.4223 1.6702 1.6702
Maximum atom distance is 2.9710Å between atoms H3 and H6.
picture of methyl ammonium radical
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 111.554 C1 N2 H7 111.554
C1 N2 H8 111.554 N2 C1 H3 108.447
N2 C1 H4 108.447 N2 C1 H5 108.447
H3 C1 H4 110.476 H3 C1 H5 110.476
H4 C1 H5 110.476 H6 N2 H7 107.310
H6 N2 H8 107.310 H7 N2 H8 107.310

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