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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

mPW1PW91/aug-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 0.2620   0.0000 0.0000 0.2620
C2 0.0000 0.0000 2.1087   0.0000 0.0000 2.1087
Cl3 0.0000 1.9163 -0.4659   1.9163 0.0000 -0.4659
Cl4 1.6595 -0.9581 -0.4659   -0.9581 1.6595 -0.4659
Cl5 -1.6595 -0.9581 -0.4659   -0.9581 -1.6595 -0.4659
H6 0.0000 -1.0241 2.4802   -1.0241 0.0000 2.4802
H7 0.8869 0.5121 2.4802   0.5121 0.8869 2.4802
H8 -0.8869 0.5121 2.4802   0.5121 -0.8869 2.4802
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8468 2.0498 2.0498 2.0498 2.4433 2.4433 2.4433
C2 1.8468 3.2095 3.2095 3.2095 1.0894 1.0894 1.0894
Cl3 2.0498 3.2095 3.3191 3.3191 4.1624 3.3820 3.3820
Cl4 2.0498 3.2095 3.3191 3.3191 3.3820 3.3820 4.1624
Cl5 2.0498 3.2095 3.3191 3.3191 3.3820 4.1624 3.3820
H6 2.4433 1.0894 4.1624 3.3820 3.3820 1.7738 1.7738
H7 2.4433 1.0894 3.3820 3.3820 4.1624 1.7738 1.7738
H8 2.4433 1.0894 3.3820 4.1624 3.3820 1.7738 1.7738
Maximum atom distance is 4.1624Å 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 110.798 C2 Si1 Cl4 110.798
C2 Si1 Cl5 110.798 Cl3 Si1 Cl4 108.112
Cl3 Si1 Cl5 108.112 Cl4 Si1 Cl5 108.112
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.938 Si1 C2 H7 109.938
Si1 C2 H8 109.938 H6 C2 H7 109.001
H6 C2 H8 109.001 H7 C2 H8 109.001

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