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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

CCD/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 0.2500   0.0000 -0.0000 0.2500
C2 0.0000 0.0000 2.0942   0.0000 -0.0000 2.0942
Cl3 0.0000 1.9116 -0.4605   0.0000 1.9116 -0.4605
Cl4 1.6555 -0.9558 -0.4605   1.6555 -0.9558 -0.4605
Cl5 -1.6555 -0.9558 -0.4605   -1.6555 -0.9558 -0.4605
H6 0.0000 -1.0267 2.4729   0.0000 -1.0267 2.4729
H7 0.8892 0.5134 2.4729   0.8892 0.5134 2.4729
H8 -0.8892 0.5134 2.4729   -0.8892 0.5134 2.4729
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8442 2.0394 2.0394 2.0394 2.4486 2.4486 2.4486
C2 1.8442 3.1907 3.1907 3.1907 1.0943 1.0943 1.0943
Cl3 2.0394 3.1907 3.3110 3.3110 4.1519 3.3690 3.3690
Cl4 2.0394 3.1907 3.3110 3.3110 3.3690 3.3690 4.1519
Cl5 2.0394 3.1907 3.3110 3.3110 3.3690 4.1519 3.3690
H6 2.4486 1.0943 4.1519 3.3690 3.3690 1.7783 1.7783
H7 2.4486 1.0943 3.3690 3.3690 4.1519 1.7783 1.7783
H8 2.4486 1.0943 3.3690 4.1519 3.3690 1.7783 1.7783
Maximum atom distance is 4.1519Å 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 110.386 C2 Si1 Cl4 110.386
C2 Si1 Cl5 110.386 Cl3 Si1 Cl4 108.541
Cl3 Si1 Cl5 108.541 Cl4 Si1 Cl5 108.541
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.247 Si1 C2 H7 110.247
Si1 C2 H8 110.247 H6 C2 H7 108.684
H6 C2 H8 108.684 H7 C2 H8 108.684

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