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Geometry for SiH3CCl3 ((trichloromethyl)silane) 1A1 C3V

1910171554
InChI=1S/CH3Cl3Si/c2-1(3,4)5/h5H3 INChIKey=DWAWYEUJUWLESO-UHFFFAOYSA-N

B3LYP/LANL2DZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.9137   1.9137 0.0000 0.0000
C2 0.0000 0.0000 -0.0139   -0.0139 0.0000 0.0000
H3 0.0000 -1.4120 2.3485   2.3485 -1.4120 0.0000
H4 1.2228 0.7060 2.3485   2.3485 0.7060 1.2228
H5 -1.2228 0.7060 2.3485   2.3485 0.7060 -1.2228
Cl6 0.0000 1.7538 -0.6619   -0.6619 1.7538 0.0000
Cl7 1.5189 -0.8769 -0.6619   -0.6619 -0.8769 1.5189
Cl8 -1.5189 -0.8769 -0.6619   -0.6619 -0.8769 -1.5189
Atom - Atom Distances (Å)
  Si1 C2 H3 H4 H5 Cl6 Cl7 Cl8
Si1 1.9276 1.4774 1.4774 1.4774 3.1160 3.1160 3.1160
C2 1.9276 2.7522 2.7522 2.7522 1.8697 1.8697 1.8697
H3 1.4774 2.7522 2.4457 2.4457 4.3686 3.4140 3.4140
H4 1.4774 2.7522 2.4457 2.4457 3.4140 3.4140 4.3686
H5 1.4774 2.7522 2.4457 2.4457 3.4140 4.3686 3.4140
Cl6 3.1160 1.8697 4.3686 3.4140 3.4140 3.0377 3.0377
Cl7 3.1160 1.8697 3.4140 3.4140 4.3686 3.0377 3.0377
Cl8 3.1160 1.8697 3.4140 4.3686 3.4140 3.0377 3.0377
Maximum atom distance is 4.3686Å between atoms H3 and Cl6.
picture of (trichloromethyl)silane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 Cl6 110.278 Si1 C2 Cl7 110.278
Si1 C2 Cl8 110.278 Cl6 C2 Cl7 108.653
Cl6 C2 Cl8 108.653 Cl7 C2 Cl8 108.653
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 H3 107.116 C2 Si1 H4 107.116
C2 Si1 H5 107.116 H3 Si1 H4 111.721
H3 Si1 H5 111.721 H4 Si1 H5 111.721

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