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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

B2PLYP=FULL/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 0.6641   0.6641 0.0000 0.0000
C2 0.0000 1.3789 -0.5152   -0.5152 0.0000 1.3789
C3 0.0000 -1.3789 -0.5152   -0.5152 0.0000 -1.3789
H4 0.0000 2.3009 0.0643   0.0643 0.0000 2.3009
H5 0.0000 -2.3009 0.0643   0.0643 0.0000 -2.3009
H6 0.8912 1.3626 -1.1432   -1.1432 0.8912 1.3626
H7 -0.8912 1.3626 -1.1432   -1.1432 -0.8912 1.3626
H8 -0.8912 -1.3626 -1.1432   -1.1432 -0.8912 -1.3626
H9 0.8912 -1.3626 -1.1432   -1.1432 0.8912 -1.3626
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8144 1.8144 2.3778 2.3778 2.4325 2.4325 2.4325 2.4325
C2 1.8144 2.7577 1.0890 3.7251 1.0903 1.0903 2.9503 2.9503
C3 1.8144 2.7577 3.7251 1.0890 2.9503 2.9503 1.0903 1.0903
H4 2.3778 1.0890 3.7251 4.6018 1.7699 1.7699 3.9589 3.9589
H5 2.3778 3.7251 1.0890 4.6018 3.9589 3.9589 1.7699 1.7699
H6 2.4325 1.0903 2.9503 1.7699 3.9589 1.7823 3.2562 2.7252
H7 2.4325 1.0903 2.9503 1.7699 3.9589 1.7823 2.7252 3.2562
H8 2.4325 2.9503 1.0903 3.9589 1.7699 3.2562 2.7252 1.7823
H9 2.4325 2.9503 1.0903 3.9589 1.7699 2.7252 3.2562 1.7823
Maximum atom distance is 4.6018Å 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 98.920
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.314 S1 C2 H6 111.287
S1 C2 H7 111.287 S1 C3 H5 107.314
S1 C3 H8 111.287 S1 C3 H9 111.287
H4 C2 H6 108.609 H4 C2 H7 108.609
H5 C3 H8 108.609 H5 C3 H9 108.609
H6 C2 H7 109.634 H8 C3 H9 109.634

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