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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

CCSD(T)/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2578   0.0000 -0.0000 0.2578
C2 0.0000 0.0000 2.1232   0.0000 -0.0000 2.1232
Cl3 0.0000 1.9421 -0.4676   0.0000 1.9421 -0.4676
Cl4 1.6819 -0.9710 -0.4676   1.6819 -0.9710 -0.4676
Cl5 -1.6819 -0.9710 -0.4676   -1.6819 -0.9710 -0.4676
H6 0.0000 -1.0396 2.4998   0.0000 -1.0396 2.4998
H7 0.9003 0.5198 2.4998   0.9003 0.5198 2.4998
H8 -0.9003 0.5198 2.4998   -0.9003 0.5198 2.4998
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8654 2.0731 2.0731 2.0731 2.4712 2.4712 2.4712
C2 1.8654 3.2379 3.2379 3.2379 1.1057 1.1057 1.1057
Cl3 2.0731 3.2379 3.3637 3.3637 4.2066 3.4116 3.4116
Cl4 2.0731 3.2379 3.3637 3.3637 3.4116 3.4116 4.2066
Cl5 2.0731 3.2379 3.3637 3.3637 3.4116 4.2066 3.4116
H6 2.4712 1.1057 4.2066 3.4116 3.4116 1.8006 1.8006
H7 2.4712 1.1057 3.4116 3.4116 4.2066 1.8006 1.8006
H8 2.4712 1.1057 3.4116 4.2066 3.4116 1.8006 1.8006
Maximum atom distance is 4.2066Å 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 110.483 C2 Si1 Cl4 110.483
C2 Si1 Cl5 110.483 Cl3 Si1 Cl4 108.441
Cl3 Si1 Cl5 108.441 Cl4 Si1 Cl5 108.441
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.913 Si1 C2 H7 109.913
Si1 C2 H8 109.913 H6 C2 H7 109.026
H6 C2 H8 109.026 H7 C2 H8 109.026

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