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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

B3LYP/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 0.2609   0.0000 0.0000 0.2609
C2 0.0000 0.0000 2.1130   0.0000 0.0000 2.1130
Cl3 0.0000 1.9293 -0.4666   1.9293 -0.0000 -0.4666
Cl4 1.6708 -0.9646 -0.4666   -0.9646 1.6708 -0.4666
Cl5 -1.6708 -0.9646 -0.4666   -0.9646 -1.6708 -0.4666
H6 0.0000 -1.0255 2.4893   -1.0255 0.0000 2.4893
H7 0.8881 0.5127 2.4893   0.5127 0.8881 2.4892
H8 -0.8881 0.5127 2.4893   0.5127 -0.8881 2.4893
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8521 2.0619 2.0619 2.0619 2.4530 2.4530 2.4530
C2 1.8521 3.2212 3.2212 3.2212 1.0923 1.0923 1.0923
Cl3 2.0619 3.2212 3.3416 3.3416 4.1794 3.3960 3.3960
Cl4 2.0619 3.2212 3.3416 3.3416 3.3960 3.3960 4.1794
Cl5 2.0619 3.2212 3.3416 3.3416 3.3960 4.1794 3.3960
H6 2.4530 1.0923 4.1794 3.3960 3.3960 1.7762 1.7762
H7 2.4530 1.0923 3.3960 3.3960 4.1794 1.7762 1.7762
H8 2.4530 1.0923 3.3960 4.1794 3.3960 1.7762 1.7762
Maximum atom distance is 4.1794Å 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 110.661 C2 Si1 Cl4 110.661
C2 Si1 Cl5 110.661 Cl3 Si1 Cl4 108.255
Cl3 Si1 Cl5 108.255 Cl4 Si1 Cl5 108.255
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.151 Si1 C2 H7 110.151
Si1 C2 H8 110.151 H6 C2 H7 108.783
H6 C2 H8 108.783 H7 C2 H8 108.783

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