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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/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2549   0.0000 0.0000 0.2549
C2 0.0000 0.0000 2.1046   0.0000 0.0000 2.1046
Cl3 0.0000 1.9191 -0.4634   0.0000 1.9191 -0.4634
Cl4 1.6620 -0.9595 -0.4634   1.6620 -0.9595 -0.4634
Cl5 -1.6620 -0.9595 -0.4634   -1.6620 -0.9595 -0.4634
H6 0.0000 -1.0235 2.4792   0.0000 -1.0235 2.4792
H7 0.8864 0.5117 2.4792   0.8864 0.5117 2.4792
H8 -0.8864 0.5117 2.4792   -0.8864 0.5117 2.4792
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8497 2.0491 2.0491 2.0491 2.4485 2.4485 2.4485
C2 1.8497 3.2059 3.2059 3.2059 1.0899 1.0899 1.0899
Cl3 2.0491 3.2059 3.3239 3.3239 4.1615 3.3801 3.3801
Cl4 2.0491 3.2059 3.3239 3.3239 3.3801 3.3801 4.1615
Cl5 2.0491 3.2059 3.3239 3.3239 3.3801 4.1615 3.3801
H6 2.4485 1.0899 4.1615 3.3801 3.3801 1.7727 1.7727
H7 2.4485 1.0899 3.3801 3.3801 4.1615 1.7727 1.7727
H8 2.4485 1.0899 3.3801 4.1615 3.3801 1.7727 1.7727
Maximum atom distance is 4.1615Å 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 110.521 C2 Si1 Cl4 110.521
C2 Si1 Cl5 110.521 Cl3 Si1 Cl4 108.402
Cl3 Si1 Cl5 108.402 Cl4 Si1 Cl5 108.402
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.104 Si1 C2 H7 110.104
Si1 C2 H8 110.104 H6 C2 H7 108.831
H6 C2 H8 108.831 H7 C2 H8 108.831

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