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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

B3LYPultrafine/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2615   0.0000 0.0000 0.2615
C2 0.0000 0.0000 2.1170   0.0000 0.0000 2.1170
Cl3 0.0000 1.9299 -0.4673   1.9299 -0.0000 -0.4673
Cl4 1.6713 -0.9649 -0.4673   -0.9649 1.6713 -0.4673
Cl5 -1.6713 -0.9649 -0.4673   -0.9649 -1.6713 -0.4673
H6 0.0000 -1.0239 2.4906   -1.0239 0.0000 2.4906
H7 0.8867 0.5119 2.4906   0.5119 0.8867 2.4906
H8 -0.8867 0.5119 2.4906   0.5119 -0.8867 2.4906
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8555 2.0629 2.0629 2.0629 2.4530 2.4530 2.4530
C2 1.8555 3.2254 3.2254 3.2254 1.0899 1.0899 1.0899
Cl3 2.0629 3.2254 3.3426 3.3426 4.1802 3.3980 3.3980
Cl4 2.0629 3.2254 3.3426 3.3426 3.3980 3.3980 4.1802
Cl5 2.0629 3.2254 3.3426 3.3426 3.3980 4.1802 3.3980
H6 2.4530 1.0899 4.1802 3.3980 3.3980 1.7734 1.7734
H7 2.4530 1.0899 3.3980 3.3980 4.1802 1.7734 1.7734
H8 2.4530 1.0899 3.3980 4.1802 3.3980 1.7734 1.7734
Maximum atom distance is 4.1802Å 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 110.689 C2 Si1 Cl4 110.689
C2 Si1 Cl5 110.689 Cl3 Si1 Cl4 108.226
Cl3 Si1 Cl5 108.226 Cl4 Si1 Cl5 108.226
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.049 Si1 C2 H7 110.049
Si1 C2 H8 110.049 H6 C2 H7 108.887
H6 C2 H8 108.887 H7 C2 H8 108.887

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