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Geometry for CH3Li (methyl lithium) 1A1 C3V

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

M06-2X/6-31+G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Li1 0.0000 0.0000 -1.5889   -1.5889 -0.0000 0.0000
C2 0.0000 0.0000 0.3897   0.3897 0.0000 0.0000
H3 0.0000 1.0162 0.8095   0.8095 -1.0162 0.0000
H4 -0.8800 -0.5081 0.8095   0.8095 0.5081 0.8800
H5 0.8800 -0.5081 0.8095   0.8095 0.5081 -0.8800
Atom - Atom Distances (Å)
  Li1 C2 H3 H4 H5
Li1 1.9787 2.6048 2.6048 2.6048
C2 1.9787 1.0995 1.0995 1.0995
H3 2.6048 1.0995 1.7601 1.7601
H4 2.6048 1.0995 1.7601 1.7601
H5 2.6048 1.0995 1.7601 1.7601
Maximum atom distance is 2.6048Å 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 112.446 Li1 C2 H4 112.446
Li1 C2 H5 112.446 H3 C2 H4 106.339
H3 C2 H5 106.339 H4 C2 H5 106.339

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