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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/CEP-121G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2916   0.0000 0.0000 0.2916
C2 0.0000 0.0000 2.1929   0.0000 0.0000 2.1929
Cl3 0.0000 2.0573 -0.4889   2.0573 -0.0000 -0.4889
Cl4 1.7817 -1.0287 -0.4889   -1.0287 1.7817 -0.4889
Cl5 -1.7817 -1.0287 -0.4889   -1.0287 -1.7817 -0.4889
H6 0.0000 -1.0358 2.5648   -1.0358 0.0000 2.5648
H7 0.8971 0.5179 2.5648   0.5179 0.8971 2.5648
H8 -0.8971 0.5179 2.5648   0.5179 -0.8971 2.5648
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.9013 2.2004 2.2004 2.2004 2.4981 2.4981 2.4981
C2 1.9013 3.3800 3.3800 3.3800 1.1006 1.1006 1.1006
Cl3 2.2004 3.3800 3.5634 3.5634 4.3466 3.5355 3.5355
Cl4 2.2004 3.3800 3.5634 3.5634 3.5355 3.5355 4.3466
Cl5 2.2004 3.3800 3.5634 3.5634 3.5355 4.3466 3.5355
H6 2.4981 1.1006 4.3466 3.5355 3.5355 1.7941 1.7941
H7 2.4981 1.1006 3.5355 3.5355 4.3466 1.7941 1.7941
H8 2.4981 1.1006 3.5355 4.3466 3.5355 1.7941 1.7941
Maximum atom distance is 4.3466Å 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 110.774 C2 Si1 Cl4 110.774
C2 Si1 Cl5 110.774 Cl3 Si1 Cl4 108.137
Cl3 Si1 Cl5 108.137 Cl4 Si1 Cl5 108.137
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.752 Si1 C2 H7 109.752
Si1 C2 H8 109.752 H6 C2 H7 109.189
H6 C2 H8 109.189 H7 C2 H8 109.189

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