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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

HF/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 0.2611   0.0000 0.0000 0.2611
C2 0.0000 0.0000 2.1286   0.0000 0.0000 2.1286
Cl3 0.0000 1.9284 -0.4693   1.9284 0.0000 -0.4693
Cl4 1.6701 -0.9642 -0.4693   -0.9642 1.6701 -0.4693
Cl5 -1.6701 -0.9642 -0.4693   -0.9642 -1.6701 -0.4693
H6 0.0000 -1.0242 2.5024   -1.0242 0.0000 2.5024
H7 0.8870 0.5121 2.5024   0.5121 0.8870 2.5024
H8 -0.8870 0.5121 2.5024   0.5121 -0.8870 2.5024
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8676 2.0621 2.0621 2.0621 2.4642 2.4642 2.4642
C2 1.8676 3.2354 3.2354 3.2354 1.0902 1.0902 1.0902
Cl3 2.0621 3.2354 3.3402 3.3402 4.1891 3.4093 3.4093
Cl4 2.0621 3.2354 3.3402 3.3402 3.4093 3.4093 4.1891
Cl5 2.0621 3.2354 3.3402 3.3402 3.4093 4.1891 3.4093
H6 2.4642 1.0902 4.1891 3.4093 3.4093 1.7739 1.7739
H7 2.4642 1.0902 3.4093 3.4093 4.1891 1.7739 1.7739
H8 2.4642 1.0902 3.4093 4.1891 3.4093 1.7739 1.7739
Maximum atom distance is 4.1891Å 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 110.743 C2 Si1 Cl4 110.743
C2 Si1 Cl5 110.743 Cl3 Si1 Cl4 108.170
Cl3 Si1 Cl5 108.170 Cl4 Si1 Cl5 108.170
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.048 Si1 C2 H7 110.048
Si1 C2 H8 110.048 H6 C2 H7 108.889
H6 C2 H8 108.889 H7 C2 H8 108.889

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