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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

PBE1PBE/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2545   0.0000 0.0000 0.2545
C2 0.0000 0.0000 2.1067   0.0000 0.0000 2.1067
Cl3 0.0000 1.9203 -0.4638   0.0000 1.9203 -0.4638
Cl4 1.6630 -0.9601 -0.4638   1.6630 -0.9601 -0.4638
Cl5 -1.6630 -0.9601 -0.4638   -1.6630 -0.9601 -0.4638
H6 0.0000 -1.0274 2.4845   0.0000 -1.0274 2.4845
H7 0.8897 0.5137 2.4845   0.8897 0.5137 2.4845
H8 -0.8897 0.5137 2.4845   -0.8897 0.5137 2.4845
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8522 2.0503 2.0503 2.0503 2.4553 2.4553 2.4553
C2 1.8522 3.2086 3.2086 3.2086 1.0946 1.0946 1.0946
Cl3 2.0503 3.2086 3.3261 3.3261 4.1691 3.3857 3.3857
Cl4 2.0503 3.2086 3.3261 3.3261 3.3857 3.3857 4.1691
Cl5 2.0503 3.2086 3.3261 3.3261 3.3857 4.1691 3.3857
H6 2.4553 1.0946 4.1691 3.3857 3.3857 1.7794 1.7794
H7 2.4553 1.0946 3.3857 3.3857 4.1691 1.7794 1.7794
H8 2.4553 1.0946 3.3857 4.1691 3.3857 1.7794 1.7794
Maximum atom distance is 4.1691Å 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 110.509 C2 Si1 Cl4 110.509
C2 Si1 Cl5 110.509 Cl3 Si1 Cl4 108.414
Cl3 Si1 Cl5 108.414 Cl4 Si1 Cl5 108.414
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.192 Si1 C2 H7 110.192
Si1 C2 H8 110.192 H6 C2 H7 108.741
H6 C2 H8 108.741 H7 C2 H8 108.741

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