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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

MP2/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2452   0.0000 -0.0000 0.2452
C2 0.0000 0.0000 2.1004   0.0000 -0.0000 2.1004
Cl3 0.0000 1.9049 -0.4604   0.0000 1.9049 -0.4604
Cl4 1.6497 -0.9524 -0.4604   1.6497 -0.9524 -0.4604
Cl5 -1.6497 -0.9524 -0.4604   -1.6497 -0.9524 -0.4604
H6 0.0000 -1.0292 2.4816   0.0000 -1.0292 2.4816
H7 0.8913 0.5146 2.4816   0.8913 0.5146 2.4816
H8 -0.8913 0.5146 2.4816   -0.8913 0.5146 2.4816
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8552 2.0314 2.0314 2.0314 2.4618 2.4618 2.4618
C2 1.8552 3.1916 3.1916 3.1916 1.0975 1.0975 1.0975
Cl3 2.0314 3.1916 3.2993 3.2993 4.1549 3.3738 3.3738
Cl4 2.0314 3.1916 3.2993 3.2993 3.3738 3.3738 4.1549
Cl5 2.0314 3.1916 3.2993 3.2993 3.3738 4.1549 3.3738
H6 2.4618 1.0975 4.1549 3.3738 3.3738 1.7825 1.7825
H7 2.4618 1.0975 3.3738 3.3738 4.1549 1.7825 1.7825
H8 2.4618 1.0975 3.3738 4.1549 3.3738 1.7825 1.7825
Maximum atom distance is 4.1549Å 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 110.325 C2 Si1 Cl4 110.325
C2 Si1 Cl5 110.325 Cl3 Si1 Cl4 108.604
Cl3 Si1 Cl5 108.604 Cl4 Si1 Cl5 108.604
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.324 Si1 C2 H7 110.324
Si1 C2 H8 110.324 H6 C2 H7 108.605
H6 C2 H8 108.605 H7 C2 H8 108.605

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