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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/aug-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 0.6660   0.6660 0.0000 0.0000
C2 0.0000 1.3540 -0.5164   -0.5164 0.0000 1.3540
C3 0.0000 -1.3540 -0.5164   -0.5164 0.0000 -1.3540
H4 0.0000 2.2812 0.0476   0.0476 0.0000 2.2812
H5 0.0000 -2.2812 0.0476   0.0476 0.0000 -2.2812
H6 0.8893 1.3169 -1.1385   -1.1385 0.8893 1.3169
H7 -0.8893 1.3169 -1.1385   -1.1385 -0.8893 1.3169
H8 -0.8893 -1.3169 -1.1385   -1.1385 -0.8893 -1.3169
H9 0.8893 -1.3169 -1.1385   -1.1385 0.8893 -1.3169
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.7976 1.7976 2.3635 2.3635 2.4044 2.4044 2.4044 2.4044
C2 1.7976 2.7080 1.0852 3.6787 1.0859 1.0859 2.8830 2.8830
C3 1.7976 2.7080 3.6787 1.0852 2.8830 2.8830 1.0859 1.0859
H4 2.3635 1.0852 3.6787 4.5623 1.7684 1.7684 3.8915 3.8915
H5 2.3635 3.6787 1.0852 4.5623 3.8915 3.8915 1.7684 1.7684
H6 2.4044 1.0859 2.8830 1.7684 3.8915 1.7786 3.1781 2.6338
H7 2.4044 1.0859 2.8830 1.7684 3.8915 1.7786 2.6338 3.1781
H8 2.4044 2.8830 1.0859 3.8915 1.7684 3.1781 2.6338 1.7786
H9 2.4044 2.8830 1.0859 3.8915 1.7684 2.6338 3.1781 1.7786
Maximum atom distance is 4.5623Å 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 97.741
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.558 S1 C2 H6 110.552
S1 C2 H7 110.552 S1 C3 H5 107.558
S1 C3 H8 110.552 S1 C3 H9 110.552
H4 C2 H6 109.082 H4 C2 H7 109.082
H5 C3 H8 109.082 H5 C3 H9 109.082
H6 C2 H7 109.958 H8 C3 H9 109.958

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