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Geometry for CH3Li (methyl lithium) 1A1 C3V

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

B2PLYP/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Li1 0.0000 0.0000 -1.5960   -1.5960 0.0000 0.0000
C2 0.0000 0.0000 0.3937   0.3937 0.0000 0.0000
H3 0.0000 1.0173 0.8086   0.8086 -0.3247 0.9641
H4 -0.8810 -0.5086 0.8086   0.8086 -0.6726 -0.7632
H5 0.8810 -0.5086 0.8086   0.8086 0.9973 -0.2009
Atom - Atom Distances (Å)
  Li1 C2 H3 H4 H5
Li1 1.9896 2.6110 2.6109 2.6109
C2 1.9896 1.0987 1.0987 1.0987
H3 2.6110 1.0987 1.7620 1.7620
H4 2.6109 1.0987 1.7620 1.7620
H5 2.6109 1.0987 1.7620 1.7620
Maximum atom distance is 2.6110Å between atoms Li1 and H3.
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 112.191 Li1 C2 H4 112.191
Li1 C2 H5 112.191 H3 C2 H4 106.620
H3 C2 H5 106.620 H4 C2 H5 106.620

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