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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/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 0.6668   0.0000 0.6668 0.0000
C2 0.0000 1.3615 -0.5168   1.3615 -0.5168 0.0000
C3 0.0000 -1.3615 -0.5168   -1.3615 -0.5168 0.0000
H4 0.0000 2.2888 0.0503   2.2888 0.0503 0.0000
H5 0.0000 -2.2888 0.0503   -2.2888 0.0503 0.0000
H6 0.8901 1.3305 -1.1420   1.3305 -1.1420 0.8901
H7 -0.8901 1.3305 -1.1420   1.3305 -1.1420 -0.8901
H8 -0.8901 -1.3305 -1.1420   -1.3305 -1.1420 -0.8901
H9 0.8901 -1.3305 -1.1420   -1.3305 -1.1420 0.8901
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8041 1.8041 2.3704 2.3704 2.4154 2.4154 2.4154 2.4154
C2 1.8041 2.7230 1.0870 3.6941 1.0881 1.0881 2.9034 2.9034
C3 1.8041 2.7230 3.6941 1.0870 2.9034 2.9034 1.0881 1.0881
H4 2.3704 1.0870 3.6941 4.5776 1.7698 1.7698 3.9132 3.9132
H5 2.3704 3.6941 1.0870 4.5776 3.9132 3.9132 1.7698 1.7698
H6 2.4154 1.0881 2.9034 1.7698 3.9132 1.7801 3.2015 2.6610
H7 2.4154 1.0881 2.9034 1.7698 3.9132 1.7801 2.6610 3.2015
H8 2.4154 2.9034 1.0881 3.9132 1.7698 3.2015 2.6610 1.7801
H9 2.4154 2.9034 1.0881 3.9132 1.7698 2.6610 3.2015 1.7801
Maximum atom distance is 4.5776Å 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 97.993
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.547 S1 C2 H6 110.820
S1 C2 H7 110.820 S1 C3 H5 107.547
S1 C3 H8 110.820 S1 C3 H9 110.820
H4 C2 H6 108.909 H4 C2 H7 108.909
H5 C3 H8 108.909 H5 C3 H9 108.909
H6 C2 H7 109.771 H8 C3 H9 109.771

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