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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

1910171554
InChI=1S/C2H6S/c1-3-2/h1-2H3 INChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N

HF/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6565   0.6565 0.0000 0.0000
C2 0.0000 1.3907 -0.5104   -0.5104 0.0000 1.3907
C3 0.0000 -1.3907 -0.5104   -0.5104 0.0000 -1.3907
H4 0.0000 2.2998 0.0747   0.0747 0.0000 2.2998
H5 0.0000 -2.2998 0.0747   0.0747 0.0000 -2.2998
H6 0.8852 1.3735 -1.1321   -1.1321 0.8852 1.3735
H7 -0.8852 1.3735 -1.1321   -1.1321 -0.8852 1.3735
H8 -0.8852 -1.3735 -1.1321   -1.1321 -0.8852 -1.3735
H9 0.8852 -1.3735 -1.1321   -1.1321 0.8852 -1.3735
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8154 1.8154 2.3723 2.3723 2.4226 2.4226 2.4226 2.4226
C2 1.8154 2.7815 1.0811 3.7367 1.0819 1.0819 2.9683 2.9683
C3 1.8154 2.7815 3.7367 1.0811 2.9683 2.9683 1.0819 1.0819
H4 2.3723 1.0811 3.7367 4.5997 1.7602 1.7602 3.9665 3.9665
H5 2.3723 3.7367 1.0811 4.5997 3.9665 3.9665 1.7602 1.7602
H6 2.4226 1.0819 2.9683 1.7602 3.9665 1.7703 3.2680 2.7469
H7 2.4226 1.0819 2.9683 1.7602 3.9665 1.7703 2.7469 3.2680
H8 2.4226 2.9683 1.0819 3.9665 1.7602 3.2680 2.7469 1.7703
H9 2.4226 2.9683 1.0819 3.9665 1.7602 2.7469 3.2680 1.7703
Maximum atom distance is 4.5997Å between atoms H4 and H5.
picture of Dimethyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 S1 C3 100.007
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.241 S1 C2 H6 110.926
S1 C2 H7 110.926 S1 C3 H5 107.241
S1 C3 H8 110.926 S1 C3 H9 110.926
H4 C2 H6 108.933 H4 C2 H7 108.933
H5 C3 H8 108.933 H5 C3 H9 108.933
H6 C2 H7 109.806 H8 C3 H9 109.806

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