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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

B3LYPultrafine/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2671   0.0000 0.0000 0.2671
C2 0.0000 0.0000 2.1296   0.0000 0.0000 2.1296
Cl3 0.0000 1.9469 -0.4711   0.0000 1.9469 -0.4711
Cl4 1.6860 -0.9734 -0.4711   1.6860 -0.9734 -0.4711
Cl5 -1.6860 -0.9734 -0.4711   -1.6860 -0.9734 -0.4711
H6 0.0000 -1.0357 2.5035   0.0000 -1.0357 2.5035
H7 0.8970 0.5179 2.5035   0.8970 0.5179 2.5035
H8 -0.8970 0.5179 2.5035   -0.8970 0.5179 2.5035
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8625 2.0822 2.0822 2.0822 2.4646 2.4646 2.4646
C2 1.8625 3.2487 3.2487 3.2487 1.1012 1.1012 1.1012
Cl3 2.0822 3.2487 3.3721 3.3721 4.2124 3.4198 3.4198
Cl4 2.0822 3.2487 3.3721 3.3721 3.4198 3.4198 4.2124
Cl5 2.0822 3.2487 3.3721 3.3721 3.4198 4.2124 3.4198
H6 2.4646 1.1012 4.2124 3.4198 3.4198 1.7940 1.7940
H7 2.4646 1.1012 3.4198 3.4198 4.2124 1.7940 1.7940
H8 2.4646 1.1012 3.4198 4.2124 3.4198 1.7940 1.7940
Maximum atom distance is 4.2124Å 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 110.768 C2 Si1 Cl4 110.768
C2 Si1 Cl5 110.768 Cl3 Si1 Cl4 108.144
Cl3 Si1 Cl5 108.144 Cl4 Si1 Cl5 108.144
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.849 Si1 C2 H7 109.849
Si1 C2 H8 109.849 H6 C2 H7 109.090
H6 C2 H8 109.090 H7 C2 H8 109.090

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