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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

CCD/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6653   0.0000 0.6653 0.0000
C2 0.0000 1.3714 -0.5157   1.3714 -0.5157 0.0000
C3 0.0000 -1.3714 -0.5157   -1.3714 -0.5157 0.0000
H4 0.0000 2.2977 0.0583   2.2977 0.0583 0.0000
H5 0.0000 -2.2977 0.0583   -2.2977 0.0583 0.0000
H6 0.8918 1.3453 -1.1432   1.3453 -1.1432 0.8918
H7 -0.8918 1.3453 -1.1432   1.3453 -1.1432 -0.8918
H8 -0.8918 -1.3453 -1.1432   -1.3453 -1.1432 -0.8918
H9 0.8918 -1.3453 -1.1432   -1.3453 -1.1432 0.8918
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8098 1.8098 2.3765 2.3765 2.4240 2.4240 2.4240 2.4240
C2 1.8098 2.7427 1.0898 3.7137 1.0908 1.0908 2.9274 2.9274
C3 1.8098 2.7427 3.7137 1.0898 2.9274 2.9274 1.0908 1.0908
H4 2.3765 1.0898 3.7137 4.5954 1.7737 1.7737 3.9384 3.9384
H5 2.3765 3.7137 1.0898 4.5954 3.9384 3.9384 1.7737 1.7737
H6 2.4240 1.0908 2.9274 1.7737 3.9384 1.7836 3.2281 2.6907
H7 2.4240 1.0908 2.9274 1.7737 3.9384 1.7836 2.6907 3.2281
H8 2.4240 2.9274 1.0908 3.9384 1.7737 3.2281 2.6907 1.7836
H9 2.4240 2.9274 1.0908 3.9384 1.7737 2.6907 3.2281 1.7836
Maximum atom distance is 4.5954Å 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 98.533
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.482 S1 C2 H6 110.938
S1 C2 H7 110.938 S1 C3 H5 107.482
S1 C3 H8 110.938 S1 C3 H9 110.938
H4 C2 H6 108.864 H4 C2 H7 108.864
H5 C3 H8 108.864 H5 C3 H9 108.864
H6 C2 H7 109.684 H8 C3 H9 109.684

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