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Geometry for CH3Li (methyl lithium) 1A1 C3V

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

PBEPBE/Def2TZVPP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Li1 0.0000 0.0000 -1.4799   0.0000 1.4799 0.0000
C2 0.0000 0.0000 0.4183   0.0000 -0.4183 -0.0000
H3 0.0000 1.0449 0.6433   1.0449 -0.6433 -0.0000
H4 -0.9049 -0.5225 0.6433   -0.5225 -0.6433 0.9049
H5 0.9049 -0.5225 0.6433   -0.5225 -0.6433 -0.9049
Atom - Atom Distances (Å)
  Li1 C2 H3 H4 H5
Li1 1.8982 2.3664 2.3664 2.3664
C2 1.8982 1.0688 1.0688 1.0688
H3 2.3664 1.0688 1.8098 1.8098
H4 2.3664 1.0688 1.8098 1.8098
H5 2.3664 1.0688 1.8098 1.8098
Maximum atom distance is 2.3664Å 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 102.148 Li1 C2 H4 102.148
Li1 C2 H5 102.148 H3 C2 H4 115.694
H3 C2 H5 115.694 H4 C2 H5 115.694

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