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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

B2PLYP=FULL/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 1.8752   1.8752 0.0000 0.0000
C2 0.0000 0.0000 -0.0458   -0.0458 -0.0000 0.0000
H3 0.0000 -1.4092 2.3092   2.3092 1.4092 -0.0000
H4 1.2204 0.7046 2.3092   2.3092 -0.7046 -1.2204
H5 -1.2204 0.7046 2.3092   2.3092 -0.7046 1.2204
Cl6 0.0000 1.6929 -0.6452   -0.6452 -1.6929 0.0000
Cl7 1.4661 -0.8465 -0.6452   -0.6452 0.8465 -1.4661
Cl8 -1.4661 -0.8465 -0.6452   -0.6452 0.8465 1.4661
Atom - Atom Distances (Å)
  Si1 C2 H3 H4 H5 Cl6 Cl7 Cl8
Si1 1.9210 1.4745 1.4745 1.4745 3.0361 3.0361 3.0361
C2 1.9210 2.7445 2.7445 2.7445 1.7959 1.7959 1.7959
H3 1.4745 2.7445 2.4408 2.4408 4.2839 3.3458 3.3458
H4 1.4745 2.7445 2.4408 2.4408 3.3458 3.3458 4.2839
H5 1.4745 2.7445 2.4408 2.4408 3.3458 4.2839 3.3458
Cl6 3.0361 1.7959 4.2839 3.3458 3.3458 2.9322 2.9322
Cl7 3.0361 1.7959 3.3458 3.3458 4.2839 2.9322 2.9322
Cl8 3.0361 1.7959 3.3458 4.2839 3.3458 2.9322 2.9322
Maximum atom distance is 4.2839Å 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 109.496 Si1 C2 Cl7 109.496
Si1 C2 Cl8 109.496 Cl6 C2 Cl7 109.446
Cl6 C2 Cl8 109.446 Cl7 C2 Cl8 109.446
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 H3 107.119 C2 Si1 H4 107.119
C2 Si1 H5 107.119 H3 Si1 H4 111.718
H3 Si1 H5 111.718 H4 Si1 H5 111.718

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