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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

1910171554
InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3 INChIKey=JLUFWMXJHAVVNN-UHFFFAOYSA-N

MP2/6-31G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2847   0.0000 0.0000 0.2847
C2 0.0000 0.0000 2.1815   0.0000 0.0000 2.1815
Cl3 0.0000 2.0466 -0.4849   0.0000 2.0466 -0.4849
Cl4 1.7724 -1.0233 -0.4849   1.7724 -1.0233 -0.4849
Cl5 -1.7724 -1.0233 -0.4849   -1.7724 -1.0233 -0.4849
H6 0.0000 -1.0326 2.5525   0.0000 -1.0326 2.5525
H7 0.8943 0.5163 2.5525   0.8943 0.5163 2.5525
H8 -0.8943 0.5163 2.5525   -0.8943 0.5163 2.5525
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8968 2.1865 2.1865 2.1865 2.4918 2.4918 2.4918
C2 1.8968 3.3612 3.3612 3.3612 1.0972 1.0972 1.0972
Cl3 2.1865 3.3612 3.5447 3.5447 4.3252 3.5167 3.5167
Cl4 2.1865 3.3612 3.5447 3.5447 3.5167 3.5167 4.3252
Cl5 2.1865 3.3612 3.5447 3.5447 3.5167 4.3252 3.5167
H6 2.4918 1.0972 4.3252 3.5167 3.5167 1.7885 1.7885
H7 2.4918 1.0972 3.5167 3.5167 4.3252 1.7885 1.7885
H8 2.4918 1.0972 3.5167 4.3252 3.5167 1.7885 1.7885
Maximum atom distance is 4.3252Å between atoms Cl3 and H6.
picture of methyltrichlorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 Cl3 110.608 C2 Si1 Cl4 110.608
C2 Si1 Cl5 110.608 Cl3 Si1 Cl4 108.310
Cl3 Si1 Cl5 108.310 Cl4 Si1 Cl5 108.310
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.764 Si1 C2 H7 109.764
Si1 C2 H8 109.764 H6 C2 H7 109.177
H6 C2 H8 109.177 H7 C2 H8 109.177

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