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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

B97D3/6-311G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2568   0.0000 -0.0000 0.2568
C2 0.0000 0.0000 2.1134   0.0000 -0.0000 2.1134
Cl3 0.0000 1.9352 -0.4655   0.0000 1.9352 -0.4655
Cl4 1.6759 -0.9676 -0.4655   1.6759 -0.9676 -0.4655
Cl5 -1.6759 -0.9676 -0.4655   -1.6759 -0.9676 -0.4655
H6 0.0000 -1.0305 2.4876   0.0000 -1.0305 2.4876
H7 0.8925 0.5153 2.4876   0.8925 0.5153 2.4876
H8 -0.8925 0.5153 2.4876   -0.8925 0.5153 2.4876
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8566 2.0656 2.0656 2.0656 2.4573 2.4573 2.4573
C2 1.8566 3.2242 3.2242 3.2242 1.0964 1.0963 1.0963
Cl3 2.0656 3.2242 3.3518 3.3518 4.1852 3.3960 3.3960
Cl4 2.0656 3.2242 3.3518 3.3518 3.3960 3.3960 4.1852
Cl5 2.0656 3.2242 3.3518 3.3518 3.3960 4.1852 3.3960
H6 2.4573 1.0964 4.1852 3.3960 3.3960 1.7849 1.7849
H7 2.4573 1.0963 3.3960 3.3960 4.1852 1.7849 1.7849
H8 2.4573 1.0963 3.3960 4.1852 3.3960 1.7849 1.7849
Maximum atom distance is 4.1852Å 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 110.402 C2 Si1 Cl4 110.402
C2 Si1 Cl5 110.402 Cl3 Si1 Cl4 108.524
Cl3 Si1 Cl5 108.524 Cl4 Si1 Cl5 108.524
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.053 Si1 C2 H7 110.053
Si1 C2 H8 110.053 H6 C2 H7 108.884
H6 C2 H8 108.884 H7 C2 H8 108.884

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