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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

TPSSh/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6632   0.6632 0.0000 0.0000
C2 0.0000 1.3869 -0.5157   -0.5157 0.0000 1.3869
C3 0.0000 -1.3869 -0.5157   -0.5157 0.0000 -1.3869
H4 0.0000 2.3043 0.0740   0.0740 0.0000 2.3043
H5 0.0000 -2.3043 0.0740   0.0740 0.0000 -2.3043
H6 0.8941 1.3708 -1.1426   -1.1426 0.8941 1.3708
H7 -0.8941 1.3708 -1.1426   -1.1426 -0.8941 1.3708
H8 -0.8941 -1.3708 -1.1426   -1.1426 -0.8941 -1.3708
H9 0.8941 -1.3708 -1.1426   -1.1426 0.8941 -1.3708
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8202 1.8202 2.3785 2.3785 2.4371 2.4371 2.4371 2.4371
C2 1.8202 2.7738 1.0906 3.7380 1.0921 1.0921 2.9660 2.9660
C3 1.8202 2.7738 3.7380 1.0906 2.9660 2.9660 1.0921 1.0921
H4 2.3785 1.0906 3.7380 4.6087 1.7751 1.7751 3.9732 3.9732
H5 2.3785 3.7380 1.0906 4.6087 3.9732 3.9732 1.7751 1.7751
H6 2.4371 1.0921 2.9660 1.7751 3.9732 1.7882 3.2733 2.7417
H7 2.4371 1.0921 2.9660 1.7751 3.9732 1.7882 2.7417 3.2733
H8 2.4371 2.9660 1.0921 3.9732 1.7751 3.2733 2.7417 1.7882
H9 2.4371 2.9660 1.0921 3.9732 1.7751 2.7417 3.2733 1.7882
Maximum atom distance is 4.6087Å 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 99.268
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 106.903 S1 C2 H6 111.137
S1 C2 H7 111.137 S1 C3 H5 106.903
S1 C3 H8 111.137 S1 C3 H9 111.137
H4 C2 H6 108.828 H4 C2 H7 108.828
H5 C3 H8 108.828 H5 C3 H9 108.828
H6 C2 H7 109.910 H8 C3 H9 109.910

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