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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

QCISD/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 0.2506   0.0000 -0.0000 0.2506
C2 0.0000 0.0000 2.1075   0.0000 -0.0000 2.1075
Cl3 0.0000 1.9206 -0.4632   0.0000 1.9206 -0.4632
Cl4 1.6633 -0.9603 -0.4632   1.6633 -0.9603 -0.4632
Cl5 -1.6633 -0.9603 -0.4632   -1.6633 -0.9603 -0.4632
H6 0.0000 -1.0277 2.4897   0.0000 -1.0277 2.4897
H7 0.8900 0.5138 2.4897   0.8900 0.5138 2.4897
H8 -0.8900 0.5138 2.4897   -0.8900 0.5138 2.4897
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8569 2.0489 2.0489 2.0489 2.4636 2.4636 2.4636
C2 1.8569 3.2089 3.2089 3.2089 1.0964 1.0964 1.0964
Cl3 2.0489 3.2089 3.3265 3.3265 4.1727 3.3897 3.3897
Cl4 2.0489 3.2089 3.3265 3.3265 3.3897 3.3897 4.1727
Cl5 2.0489 3.2089 3.3265 3.3265 3.3897 4.1727 3.3897
H6 2.4636 1.0964 4.1727 3.3897 3.3897 1.7799 1.7799
H7 2.4636 1.0964 3.3897 3.3897 4.1727 1.7799 1.7799
H8 2.4636 1.0964 3.3897 4.1727 3.3897 1.7799 1.7799
Maximum atom distance is 4.1727Å between atoms Cl4 and H8.
picture of methyltrichlorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 Cl3 110.389 C2 Si1 Cl4 110.389
C2 Si1 Cl5 110.389 Cl3 Si1 Cl4 108.539
Cl3 Si1 Cl5 108.539 Cl4 Si1 Cl5 108.539
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.397 Si1 C2 H7 110.397
Si1 C2 H8 110.397 H6 C2 H7 108.530
H6 C2 H8 108.530 H7 C2 H8 108.530

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