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Geometry for CH3Li (methyl lithium) 1A1 C3V

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

ROHF/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Li1 0.0000 0.0000 -1.5921   0.0000 -1.5921 0.0000
C2 0.0000 0.0000 0.3917   0.0000 0.3917 0.0000
H3 0.0000 1.0089 0.8087   1.0089 0.8087 0.0000
H4 -0.8738 -0.5045 0.8087   -0.5045 0.8087 -0.8738
H5 0.8738 -0.5045 0.8087   -0.5045 0.8087 0.8738
Atom - Atom Distances (Å)
  Li1 C2 H3 H4 H5
Li1 1.9838 2.6042 2.6042 2.6042
C2 1.9838 1.0917 1.0917 1.0917
H3 2.6042 1.0917 1.7475 1.7475
H4 2.6042 1.0917 1.7475 1.7475
H5 2.6042 1.0917 1.7475 1.7475
Maximum atom distance is 2.6042Å 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 112.453 Li1 C2 H4 112.453
Li1 C2 H5 112.453 H3 C2 H4 106.332
H3 C2 H5 106.332 H4 C2 H5 106.332

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