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Geometry for CH3NH3 (methyl ammonium radical) 2A1 C3V

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

B1B95/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.7932   -0.7932 0.0000 0.0000
N2 0.0000 0.0000 0.7080   0.7080 0.0000 0.0000
H3 0.0000 -1.0375 -1.1246   -1.1246 -1.0375 0.0000
H4 -0.8985 0.5188 -1.1246   -1.1246 0.5188 -0.8985
H5 0.8985 0.5188 -1.1246   -1.1246 0.5188 0.8985
H6 0.0000 1.0341 1.0589   1.0589 1.0341 0.0000
H7 -0.8955 -0.5170 1.0589   1.0589 -0.5170 -0.8955
H8 0.8955 -0.5170 1.0589   1.0589 -0.5170 0.8955
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7 H8
C1 1.5012 1.0892 1.0892 1.0892 2.1212 2.1212 2.1212
N2 1.5012 2.1059 2.1059 2.1059 1.0920 1.0920 1.0920
H3 1.0892 2.1059 1.7971 1.7971 3.0099 2.4167 2.4167
H4 1.0892 2.1059 1.7971 1.7971 2.4167 2.4167 3.0099
H5 1.0892 2.1059 1.7971 1.7971 2.4167 3.0099 2.4167
H6 2.1212 1.0920 3.0099 2.4167 2.4167 1.7911 1.7911
H7 2.1212 1.0920 2.4167 2.4167 3.0099 1.7911 1.7911
H8 2.1212 1.0920 2.4167 3.0099 2.4167 1.7911 1.7911
Maximum atom distance is 3.0099Å 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 108.743 C1 N2 H7 108.743
C1 N2 H8 108.743 N2 C1 H3 107.715
N2 C1 H4 107.715 N2 C1 H5 107.715
H3 C1 H4 111.169 H3 C1 H5 111.169
H4 C1 H5 111.169 H6 N2 H7 110.190
H6 N2 H8 110.190 H7 N2 H8 110.190

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