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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

PBEPBEultrafine/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 0.2566   0.0000 -0.0000 0.2566
C2 0.0000 0.0000 2.1215   0.0000 -0.0000 2.1215
Cl3 0.0000 1.9390 -0.4671   1.9390 0.0000 -0.4671
Cl4 1.6792 -0.9695 -0.4671   -0.9695 1.6792 -0.4671
Cl5 -1.6792 -0.9695 -0.4671   -0.9695 -1.6792 -0.4671
H6 0.0000 -1.0354 2.5000   -1.0354 -0.0000 2.5000
H7 0.8967 0.5177 2.5000   0.5177 0.8967 2.5000
H8 -0.8967 0.5177 2.5000   0.5177 -0.8967 2.5000
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8649 2.0696 2.0696 2.0696 2.4708 2.4708 2.4708
C2 1.8649 3.2343 3.2343 3.2343 1.1024 1.1024 1.1024
Cl3 2.0696 3.2343 3.3584 3.3584 4.2013 3.4099 3.4099
Cl4 2.0696 3.2343 3.3584 3.3584 3.4099 3.4099 4.2013
Cl5 2.0696 3.2343 3.3584 3.3584 3.4099 4.2013 3.4099
H6 2.4708 1.1024 4.2013 3.4099 3.4099 1.7934 1.7934
H7 2.4708 1.1024 3.4099 3.4099 4.2013 1.7934 1.7934
H8 2.4708 1.1024 3.4099 4.2013 3.4099 1.7934 1.7934
Maximum atom distance is 4.2013Å 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 110.468 C2 Si1 Cl4 110.468
C2 Si1 Cl5 110.468 Cl3 Si1 Cl4 108.456
Cl3 Si1 Cl5 108.456 Cl4 Si1 Cl5 108.456
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.079 Si1 C2 H7 110.079
Si1 C2 H8 110.079 H6 C2 H7 108.857
H6 C2 H8 108.857 H7 C2 H8 108.857

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