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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

B3LYP/LANL2DZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2820   0.0000 0.0000 0.2820
C2 0.0000 0.0000 2.1441   0.0000 0.0000 2.1441
Cl3 0.0000 2.0239 -0.4782   2.0239 0.0000 -0.4782
Cl4 1.7527 -1.0119 -0.4782   -1.0119 1.7527 -0.4782
Cl5 -1.7527 -1.0119 -0.4782   -1.0119 -1.7527 -0.4782
H6 0.0000 -1.0269 2.5256   -1.0269 0.0000 2.5256
H7 0.8893 0.5135 2.5256   0.5135 0.8893 2.5256
H8 -0.8893 0.5135 2.5256   0.5135 -0.8893 2.5256
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8622 2.1620 2.1620 2.1620 2.4675 2.4675 2.4675
C2 1.8622 3.3125 3.3125 3.3125 1.0955 1.0955 1.0955
Cl3 2.1620 3.3125 3.5055 3.5055 4.2814 3.4778 3.4778
Cl4 2.1620 3.3125 3.5055 3.5055 3.4778 3.4778 4.2814
Cl5 2.1620 3.3125 3.5055 3.5055 3.4778 4.2814 3.4778
H6 2.4675 1.0955 4.2814 3.4778 3.4778 1.7787 1.7787
H7 2.4675 1.0955 3.4778 3.4778 4.2814 1.7787 1.7787
H8 2.4675 1.0955 3.4778 4.2814 3.4778 1.7787 1.7787
Maximum atom distance is 4.2814Å 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 110.587 C2 Si1 Cl4 110.587
C2 Si1 Cl5 110.587 Cl3 Si1 Cl4 108.333
Cl3 Si1 Cl5 108.333 Cl4 Si1 Cl5 108.333
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.378 Si1 C2 H7 110.378
Si1 C2 H8 110.378 H6 C2 H7 108.550
H6 C2 H8 108.550 H7 C2 H8 108.550

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