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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

PBEPBE/Def2TZVPP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2558   0.0000 0.0000 0.2558
C2 0.0000 0.0000 2.1108   0.0000 0.0000 2.1108
Cl3 0.0000 1.9231 -0.4648   1.9231 0.0000 -0.4648
Cl4 1.6654 -0.9615 -0.4648   -0.9615 1.6654 -0.4648
Cl5 -1.6654 -0.9615 -0.4648   -0.9615 -1.6654 -0.4648
H6 0.0000 -1.0313 2.4871   -1.0313 0.0000 2.4871
H7 0.8931 0.5157 2.4871   0.5157 0.8931 2.4871
H8 -0.8931 0.5157 2.4871   0.5157 -0.8931 2.4871
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8550 2.0537 2.0537 2.0537 2.4581 2.4581 2.4581
C2 1.8550 3.2144 3.2144 3.2144 1.0978 1.0978 1.0978
Cl3 2.0537 3.2144 3.3309 3.3309 4.1764 3.3901 3.3901
Cl4 2.0537 3.2144 3.3309 3.3309 3.3901 3.3901 4.1764
Cl5 2.0537 3.2144 3.3309 3.3309 3.3901 4.1764 3.3901
H6 2.4581 1.0978 4.1764 3.3901 3.3901 1.7863 1.7863
H7 2.4581 1.0978 3.3901 3.3901 4.1764 1.7863 1.7863
H8 2.4581 1.0978 3.3901 4.1764 3.3901 1.7863 1.7863
Maximum atom distance is 4.1764Å 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 110.543 C2 Si1 Cl4 110.543
C2 Si1 Cl5 110.543 Cl3 Si1 Cl4 108.379
Cl3 Si1 Cl5 108.379 Cl4 Si1 Cl5 108.379
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.047 Si1 C2 H7 110.047
Si1 C2 H8 110.047 H6 C2 H7 108.890
H6 C2 H8 108.890 H7 C2 H8 108.890

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