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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

CCD/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 0.6667   0.6667 0.0000 0.0000
C2 0.0000 1.3704 -0.5161   -0.5161 0.0000 1.3704
C3 0.0000 -1.3704 -0.5161   -0.5161 0.0000 -1.3704
H4 0.0000 2.2984 0.0525   0.0525 0.0000 2.2984
H5 0.0000 -2.2984 0.0525   0.0525 0.0000 -2.2984
H6 0.8899 1.3480 -1.1446   -1.1446 0.8899 1.3480
H7 -0.8899 1.3480 -1.1446   -1.1446 -0.8899 1.3480
H8 -0.8899 -1.3480 -1.1446   -1.1446 -0.8899 -1.3480
H9 0.8899 -1.3480 -1.1446   -1.1446 0.8899 -1.3480
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8103 1.8103 2.3790 2.3790 2.4269 2.4269 2.4269 2.4269
C2 1.8103 2.7408 1.0883 3.7126 1.0897 1.0897 2.9286 2.9286
C3 1.8103 2.7408 3.7126 1.0883 2.9286 2.9286 1.0897 1.0897
H4 2.3790 1.0883 3.7126 4.5967 1.7686 1.7686 3.9397 3.9397
H5 2.3790 3.7126 1.0883 4.5967 3.9397 3.9397 1.7686 1.7686
H6 2.4269 1.0897 2.9286 1.7686 3.9397 1.7798 3.2305 2.6960
H7 2.4269 1.0897 2.9286 1.7686 3.9397 1.7798 2.6960 3.2305
H8 2.4269 2.9286 1.0897 3.9397 1.7686 3.2305 2.6960 1.7798
H9 2.4269 2.9286 1.0897 3.9397 1.7686 2.6960 3.2305 1.7798
Maximum atom distance is 4.5967Å 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 98.404
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.702 S1 C2 H6 111.177
S1 C2 H7 111.177 S1 C3 H5 107.702
S1 C3 H8 111.177 S1 C3 H9 111.177
H4 C2 H6 108.594 H4 C2 H7 108.594
H5 C3 H8 108.594 H5 C3 H9 108.594
H6 C2 H7 109.509 H8 C3 H9 109.509

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