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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

MP2/6-31G(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 0.6664   0.0000 0.6664 0.0000
C2 0.0000 1.3633 -0.5165   1.3633 -0.5165 0.0000
C3 0.0000 -1.3633 -0.5165   -1.3633 -0.5165 0.0000
H4 0.0000 2.2919 0.0535   2.2919 0.0535 0.0000
H5 0.0000 -2.2919 0.0535   -2.2919 0.0535 0.0000
H6 0.8919 1.3336 -1.1432   1.3336 -1.1432 0.8919
H7 -0.8919 1.3336 -1.1432   1.3336 -1.1432 -0.8919
H8 -0.8919 -1.3336 -1.1432   -1.3336 -1.1432 -0.8919
H9 0.8919 -1.3336 -1.1432   -1.3336 -1.1432 0.8919
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8050 1.8050 2.3724 2.3724 2.4184 2.4184 2.4184 2.4184
C2 1.8050 2.7267 1.0895 3.6994 1.0905 1.0905 2.9089 2.9089
C3 1.8050 2.7267 3.6994 1.0895 2.9089 2.9089 1.0905 1.0905
H4 2.3724 1.0895 3.6994 4.5838 1.7736 1.7736 3.9207 3.9207
H5 2.3724 3.6994 1.0895 4.5838 3.9207 3.9207 1.7736 1.7736
H6 2.4184 1.0905 2.9089 1.7736 3.9207 1.7838 3.2087 2.6672
H7 2.4184 1.0905 2.9089 1.7736 3.9207 1.7838 2.6672 3.2087
H8 2.4184 2.9089 1.0905 3.9207 1.7736 3.2087 2.6672 1.7838
H9 2.4184 2.9089 1.0905 3.9207 1.7736 2.6672 3.2087 1.7838
Maximum atom distance is 4.5838Å 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 98.107
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.510 S1 C2 H6 110.857
S1 C2 H7 110.857 S1 C3 H5 107.510
S1 C3 H8 110.857 S1 C3 H9 110.857
H4 C2 H6 108.899 H4 C2 H7 108.899
H5 C3 H8 108.899 H5 C3 H9 108.899
H6 C2 H7 109.750 H8 C3 H9 109.750

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