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Geometry for CH3Li (methyl lithium) 1A1 C3V

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

PBEPBE/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 -1.5823   -1.5823 -0.0000 0.0000
C2 0.0000 0.0000 0.3850   0.3850 0.0000 0.0000
H3 0.0000 1.0215 0.8123   0.8123 -1.0215 0.0000
H4 -0.8847 -0.5108 0.8123   0.8123 0.5108 0.8847
H5 0.8847 -0.5108 0.8123   0.8123 0.5108 -0.8847
Atom - Atom Distances (Å)
  Li1 C2 H3 H4 H5
Li1 1.9674 2.6034 2.6034 2.6034
C2 1.9674 1.1073 1.1073 1.1073
H3 2.6034 1.1073 1.7694 1.7694
H4 2.6034 1.1073 1.7694 1.7694
H5 2.6034 1.1073 1.7694 1.7694
Maximum atom distance is 2.6034Å 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 112.695 Li1 C2 H4 112.695
Li1 C2 H5 112.695 H3 C2 H4 106.064
H3 C2 H5 106.064 H4 C2 H5 106.064

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