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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

LSDA/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6629   0.6629 0.0000 0.0000
C2 0.0000 1.3603 -0.5115   -0.5115 0.0000 1.3603
C3 0.0000 -1.3603 -0.5115   -0.5115 0.0000 -1.3603
H4 0.0000 2.2989 0.0647   0.0647 0.0000 2.2989
H5 0.0000 -2.2989 0.0647   0.0647 0.0000 -2.2989
H6 0.9008 1.3432 -1.1493   -1.1493 0.9008 1.3432
H7 -0.9008 1.3432 -1.1493   -1.1493 -0.9008 1.3432
H8 -0.9008 -1.3432 -1.1493   -1.1493 -0.9008 -1.3432
H9 0.9008 -1.3432 -1.1493   -1.1493 0.9008 -1.3432
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.7972 1.7972 2.3754 2.3754 2.4290 2.4290 2.4290 2.4290
C2 1.7972 2.7206 1.1013 3.7043 1.1039 1.1039 2.9202 2.9202
C3 1.7972 2.7206 3.7043 1.1013 2.9202 2.9202 1.1039 1.1039
H4 2.3754 1.1013 3.7043 4.5977 1.7884 1.7884 3.9434 3.9434
H5 2.3754 3.7043 1.1013 4.5977 3.9434 3.9434 1.7884 1.7884
H6 2.4290 1.1039 2.9202 1.7884 3.9434 1.8017 3.2347 2.6865
H7 2.4290 1.1039 2.9202 1.7884 3.9434 1.8017 2.6865 3.2347
H8 2.4290 2.9202 1.1039 3.9434 1.7884 3.2347 2.6865 1.8017
H9 2.4290 2.9202 1.1039 3.9434 1.7884 2.6865 3.2347 1.8017
Maximum atom distance is 4.5977Å 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 98.388
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.647 S1 C2 H6 111.460
S1 C2 H7 111.460 S1 C3 H5 107.647
S1 C3 H8 111.460 S1 C3 H9 111.460
H4 C2 H6 108.389 H4 C2 H7 108.389
H5 C3 H8 108.389 H5 C3 H9 108.389
H6 C2 H7 109.385 H8 C3 H9 109.385

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