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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-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2575   0.0000 -0.0000 0.2575
C2 0.0000 0.0000 2.1231   0.0000 -0.0000 2.1231
Cl3 0.0000 1.9316 -0.4672   0.0000 1.9316 -0.4672
Cl4 1.6728 -0.9658 -0.4672   1.6728 -0.9658 -0.4672
Cl5 -1.6728 -0.9658 -0.4672   -1.6728 -0.9658 -0.4672
H6 0.0000 -1.0380 2.4955   0.0000 -1.0380 2.4955
H7 0.8989 0.5190 2.4955   0.8989 0.5190 2.4955
H8 -0.8989 0.5190 2.4955   -0.8989 0.5190 2.4955
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8656 2.0630 2.0630 2.0630 2.4670 2.4670 2.4670
C2 1.8656 3.2312 3.2312 3.2312 1.1027 1.1027 1.1027
Cl3 2.0630 3.2312 3.3456 3.3456 4.1947 3.4031 3.4031
Cl4 2.0630 3.2312 3.3456 3.3456 3.4031 3.4031 4.1947
Cl5 2.0630 3.2312 3.3456 3.3456 3.4031 4.1947 3.4031
H6 2.4670 1.1027 4.1947 3.4031 3.4031 1.7978 1.7978
H7 2.4670 1.1027 3.4031 3.4031 4.1947 1.7978 1.7978
H8 2.4670 1.1027 3.4031 4.1947 3.4031 1.7978 1.7978
Maximum atom distance is 4.1947Å 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 110.565 C2 Si1 Cl4 110.565
C2 Si1 Cl5 110.565 Cl3 Si1 Cl4 108.355
Cl3 Si1 Cl5 108.355 Cl4 Si1 Cl5 108.355
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.737 Si1 C2 H7 109.737
Si1 C2 H8 109.737 H6 C2 H7 109.205
H6 C2 H8 109.205 H7 C2 H8 109.204

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