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Geometry for CH3Li (methyl lithium) 1A1 C3V

1910171554
InChI=1S/CH3.Li/h1H3; INChIKey=DVSDBMFJEQPWNO-UHFFFAOYSA-N

wB97X-D/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Li1 0.0000 0.0000 -1.5773   -1.5773 0.0000 0.0000
C2 0.0000 0.0000 0.3843   0.3843 0.0000 0.0000
H3 0.0000 1.0144 0.8087   0.8087 0.3902 0.9364
H4 -0.8785 -0.5072 0.8087   0.8087 -1.0060 -0.1303
H5 0.8785 -0.5072 0.8087   0.8087 0.6159 -0.8061
Atom - Atom Distances (Å)
  Li1 C2 H3 H4 H5
Li1 1.9616 2.5927 2.5927 2.5927
C2 1.9616 1.0996 1.0996 1.0996
H3 2.5927 1.0996 1.7571 1.7571
H4 2.5927 1.0996 1.7571 1.7571
H5 2.5927 1.0996 1.7571 1.7571
Maximum atom distance is 2.5927Å between atoms Li1 and H4.
picture of methyl lithium
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
Li1 C2 H3 112.702 Li1 C2 H4 112.702
Li1 C2 H5 112.702 H3 C2 H4 106.056
H3 C2 H5 106.056 H4 C2 H5 106.056

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