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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

HSEh1PBE/6-31+G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2556   0.0000 0.0000 0.2556
C2 0.0000 0.0000 2.1059   0.0000 0.0000 2.1059
Cl3 0.0000 1.9215 -0.4639   1.9215 -0.0000 -0.4639
Cl4 1.6641 -0.9608 -0.4639   -0.9608 1.6641 -0.4639
Cl5 -1.6641 -0.9608 -0.4639   -0.9608 -1.6641 -0.4639
H6 0.0000 -1.0271 2.4823   -1.0271 0.0000 2.4823
H7 0.8895 0.5136 2.4823   0.5136 0.8895 2.4823
H8 -0.8895 0.5136 2.4823   0.5136 -0.8895 2.4823
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8503 2.0518 2.0518 2.0518 2.4521 2.4521 2.4521
C2 1.8503 3.2088 3.2088 3.2088 1.0939 1.0939 1.0939
Cl3 2.0518 3.2088 3.3282 3.3282 4.1683 3.3843 3.3843
Cl4 2.0518 3.2088 3.3282 3.3282 3.3843 3.3843 4.1683
Cl5 2.0518 3.2088 3.3282 3.3282 3.3843 4.1683 3.3843
H6 2.4521 1.0939 4.1683 3.3843 3.3843 1.7790 1.7790
H7 2.4521 1.0939 3.3843 3.3843 4.1683 1.7790 1.7790
H8 2.4521 1.0939 3.3843 4.1683 3.3843 1.7790 1.7790
Maximum atom distance is 4.1683Å 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 110.530 C2 Si1 Cl4 110.530
C2 Si1 Cl5 110.530 Cl3 Si1 Cl4 108.392
Cl3 Si1 Cl5 108.392 Cl4 Si1 Cl5 108.392
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.122 Si1 C2 H7 110.122
Si1 C2 H8 110.122 H6 C2 H7 108.813
H6 C2 H8 108.813 H7 C2 H8 108.813

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