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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

MP2=FULL/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6654   0.0000 0.6654 0.0000
C2 0.0000 1.3566 -0.5157   1.3566 -0.5157 0.0000
C3 0.0000 -1.3566 -0.5157   -1.3566 -0.5157 0.0000
H4 0.0000 2.2814 0.0485   2.2814 0.0485 0.0000
H5 0.0000 -2.2814 0.0485   -2.2814 0.0485 0.0000
H6 0.8872 1.3246 -1.1386   1.3246 -1.1386 0.8872
H7 -0.8872 1.3246 -1.1386   1.3246 -1.1386 -0.8872
H8 -0.8872 -1.3246 -1.1386   -1.3246 -1.1386 -0.8872
H9 0.8872 -1.3246 -1.1386   -1.3246 -1.1386 0.8872
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.7987 1.7987 2.3633 2.3633 2.4075 2.4075 2.4075 2.4075
C2 1.7987 2.7132 1.0833 3.6815 1.0845 1.0845 2.8921 2.8921
C3 1.7987 2.7132 3.6815 1.0833 2.8921 2.8921 1.0845 1.0845
H4 2.3633 1.0833 3.6815 4.5628 1.7640 1.7640 3.8987 3.8987
H5 2.3633 3.6815 1.0833 4.5628 3.8987 3.8987 1.7640 1.7640
H6 2.4075 1.0845 2.8921 1.7640 3.8987 1.7745 3.1886 2.6492
H7 2.4075 1.0845 2.8921 1.7640 3.8987 1.7745 2.6492 3.1886
H8 2.4075 2.8921 1.0845 3.8987 1.7640 3.1886 2.6492 1.7745
H9 2.4075 2.8921 1.0845 3.8987 1.7640 2.6492 3.1886 1.7745
Maximum atom distance is 4.5628Å 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 97.913
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.569 S1 C2 H6 110.785
S1 C2 H7 110.785 S1 C3 H5 107.569
S1 C3 H8 110.785 S1 C3 H9 110.785
H4 C2 H6 108.922 H4 C2 H7 108.922
H5 C3 H8 108.922 H5 C3 H9 108.922
H6 C2 H7 109.792 H8 C3 H9 109.792

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