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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

BLYP/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2590   0.0000 0.0000 0.2590
C2 0.0000 0.0000 2.1329   0.0000 0.0000 2.1329
Cl3 0.0000 1.9548 -0.4697   0.0000 1.9548 -0.4697
Cl4 1.6929 -0.9774 -0.4697   1.6929 -0.9774 -0.4697
Cl5 -1.6929 -0.9774 -0.4697   -1.6929 -0.9774 -0.4697
H6 0.0000 -1.0336 2.5107   0.0000 -1.0336 2.5107
H7 0.8951 0.5168 2.5107   0.8951 0.5168 2.5107
H8 -0.8951 0.5168 2.5107   -0.8951 0.5168 2.5107
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8739 2.0862 2.0862 2.0862 2.4776 2.4776 2.4776
C2 1.8739 3.2550 3.2550 3.2550 1.1005 1.1005 1.1005
Cl3 2.0862 3.2550 3.3858 3.3858 4.2206 3.4282 3.4282
Cl4 2.0862 3.2550 3.3858 3.3858 3.4282 3.4282 4.2206
Cl5 2.0862 3.2550 3.3858 3.3858 3.4282 4.2206 3.4282
H6 2.4776 1.1005 4.2206 3.4282 3.4282 1.7902 1.7902
H7 2.4776 1.1005 3.4282 3.4282 4.2206 1.7902 1.7902
H8 2.4776 1.1005 3.4282 4.2206 3.4282 1.7902 1.7902
Maximum atom distance is 4.2206Å between atoms Cl4 and H8.
picture of methyltrichlorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 Cl3 110.446 C2 Si1 Cl4 110.446
C2 Si1 Cl5 110.446 Cl3 Si1 Cl4 108.479
Cl3 Si1 Cl5 108.479 Cl4 Si1 Cl5 108.479
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.079 Si1 C2 H7 110.079
Si1 C2 H8 110.079 H6 C2 H7 108.856
H6 C2 H8 108.856 H7 C2 H8 108.856

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