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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

B3LYP/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2597   0.0000 0.0000 0.2597
C2 0.0000 0.0000 2.1128   0.0000 0.0000 2.1128
Cl3 0.0000 1.9296 -0.4666   0.0000 1.9296 -0.4666
Cl4 1.6710 -0.9648 -0.4666   1.6710 -0.9648 -0.4666
Cl5 -1.6710 -0.9648 -0.4666   -1.6710 -0.9648 -0.4666
H6 0.0000 -1.0233 2.4951   0.0000 -1.0233 2.4951
H7 0.8862 0.5117 2.4951   0.8862 0.5117 2.4951
H8 -0.8862 0.5117 2.4951   -0.8862 0.5117 2.4951
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8531 2.0617 2.0617 2.0617 2.4585 2.4585 2.4585
C2 1.8531 3.2213 3.2213 3.2213 1.0924 1.0924 1.0924
Cl3 2.0617 3.2213 3.3421 3.3421 4.1823 3.4012 3.4012
Cl4 2.0617 3.2213 3.3421 3.3421 3.4012 3.4012 4.1823
Cl5 2.0617 3.2213 3.3421 3.3421 3.4012 4.1823 3.4012
H6 2.4585 1.0924 4.1823 3.4012 3.4012 1.7724 1.7724
H7 2.4585 1.0924 3.4012 3.4012 4.1823 1.7724 1.7724
H8 2.4585 1.0924 3.4012 4.1823 3.4012 1.7724 1.7724
Maximum atom distance is 4.1823Å 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 110.629 C2 Si1 Cl4 110.629
C2 Si1 Cl5 110.629 Cl3 Si1 Cl4 108.289
Cl3 Si1 Cl5 108.289 Cl4 Si1 Cl5 108.289
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.486 Si1 C2 H7 110.486
Si1 C2 H8 110.486 H6 C2 H7 108.438
H6 C2 H8 108.438 H7 C2 H8 108.438

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