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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

BLYP/TZVP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2648   0.0000 -0.0000 0.2648
C2 0.0000 0.0000 2.1403   0.0000 -0.0000 2.1403
Cl3 0.0000 1.9592 -0.4724   0.0000 1.9592 -0.4724
Cl4 1.6967 -0.9796 -0.4724   1.6967 -0.9796 -0.4724
Cl5 -1.6967 -0.9796 -0.4724   -1.6967 -0.9796 -0.4724
H6 0.0000 -1.0311 2.5151   0.0000 -1.0311 2.5151
H7 0.8929 0.5155 2.5151   0.8929 0.5155 2.5151
H8 -0.8929 0.5155 2.5151   -0.8929 0.5155 2.5151
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8756 2.0933 2.0933 2.0933 2.4753 2.4753 2.4753
C2 1.8756 3.2658 3.2658 3.2658 1.0971 1.0971 1.0971
Cl3 2.0933 3.2658 3.3935 3.3935 4.2270 3.4361 3.4361
Cl4 2.0933 3.2658 3.3935 3.3935 3.4361 3.4361 4.2270
Cl5 2.0933 3.2658 3.3935 3.3935 3.4361 4.2270 3.4361
H6 2.4753 1.0971 4.2270 3.4361 3.4361 1.7859 1.7859
H7 2.4753 1.0971 3.4361 3.4361 4.2270 1.7859 1.7859
H8 2.4753 1.0971 3.4361 4.2270 3.4361 1.7859 1.7859
Maximum atom distance is 4.2270Å 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 110.620 C2 Si1 Cl4 110.620
C2 Si1 Cl5 110.620 Cl3 Si1 Cl4 108.298
Cl3 Si1 Cl5 108.298 Cl4 Si1 Cl5 108.298
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.975 Si1 C2 H7 109.975
Si1 C2 H8 109.975 H6 C2 H7 108.962
H6 C2 H8 108.962 H7 C2 H8 108.962

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