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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

HF/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 1.9009   1.9009 0.0000 0.0000
C2 0.0000 0.0000 -0.0159   -0.0159 -0.0000 0.0000
H3 0.0000 -1.3612 2.3093   2.3093 1.3612 -0.0000
H4 1.1788 0.6806 2.3093   2.3093 -0.6806 -1.1788
H5 -1.1788 0.6806 2.3093   2.3093 -0.6806 1.1788
Cl6 0.0000 1.7115 -0.6558   -0.6558 -1.7115 0.0000
Cl7 1.4822 -0.8558 -0.6558   -0.6558 0.8558 -1.4822
Cl8 -1.4822 -0.8558 -0.6558   -0.6558 0.8558 1.4822
Atom - Atom Distances (Å)
  Si1 C2 H3 H4 H5 Cl6 Cl7 Cl8
Si1 1.9167 1.4212 1.4212 1.4212 3.0767 3.0767 3.0767
C2 1.9167 2.6943 2.6943 2.6943 1.8272 1.8272 1.8272
H3 1.4212 2.6943 2.3577 2.3577 4.2701 3.3533 3.3533
H4 1.4212 2.6943 2.3577 2.3577 3.3533 3.3533 4.2701
H5 1.4212 2.6943 2.3577 2.3577 3.3533 4.2701 3.3533
Cl6 3.0767 1.8272 4.2701 3.3533 3.3533 2.9645 2.9645
Cl7 3.0767 1.8272 3.3533 3.3533 4.2701 2.9645 2.9645
Cl8 3.0767 1.8272 3.3533 4.2701 3.3533 2.9645 2.9645
Maximum atom distance is 4.2701Å between atoms H4 and Cl8.
picture of (trichloromethyl)silane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 Cl6 110.500 Si1 C2 Cl7 110.500
Si1 C2 Cl8 110.500 Cl6 C2 Cl7 108.423
Cl6 C2 Cl8 108.423 Cl7 C2 Cl8 108.423
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 H3 106.703 C2 Si1 H4 106.703
C2 Si1 H5 106.703 H3 Si1 H4 112.092
H3 Si1 H5 112.092 H4 Si1 H5 112.092

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