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Geometry for CH3Li (methyl lithium) 1A1 C3V

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

B3LYPultrafine/daug-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 -1.5798   -1.5798 0.0000 0.0000
C2 0.0000 0.0000 0.3865   0.3865 0.0000 0.0000
H3 0.0000 1.0133 0.8068   0.8068 -0.0337 1.0127
H4 -0.8775 -0.5066 0.8068   0.8068 -0.8602 -0.5355
H5 0.8775 -0.5066 0.8068   0.8068 0.8939 -0.4772
Atom - Atom Distances (Å)
  Li1 C2 H3 H4 H5
Li1 1.9664 2.5928 2.5928 2.5928
C2 1.9664 1.0970 1.0970 1.0970
H3 2.5928 1.0970 1.7551 1.7551
H4 2.5928 1.0970 1.7551 1.7551
H5 2.5928 1.0970 1.7551 1.7551
Maximum atom distance is 2.5928Å 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 112.524 Li1 C2 H4 112.524
Li1 C2 H5 112.524 H3 C2 H4 106.254
H3 C2 H5 106.254 H4 C2 H5 106.254

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