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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/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6745   0.6745 0.0000 0.0000
C2 0.0000 1.3726 -0.5229   -0.5229 0.0000 1.3726
C3 0.0000 -1.3726 -0.5229   -0.5229 0.0000 -1.3726
H4 0.0000 2.3123 0.0487   0.0487 0.0000 2.3123
H5 0.0000 -2.3123 0.0487   0.0487 0.0000 -2.3123
H6 0.9014 1.3377 -1.1539   -1.1539 0.9014 1.3377
H7 -0.9014 1.3377 -1.1539   -1.1539 -0.9014 1.3377
H8 -0.9014 -1.3377 -1.1539   -1.1539 -0.9014 -1.3377
H9 0.9014 -1.3377 -1.1539   -1.1539 0.9014 -1.3377
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8215 1.8215 2.3955 2.3955 2.4383 2.4383 2.4383 2.4383
C2 1.8215 2.7453 1.0999 3.7290 1.1009 1.1009 2.9252 2.9252
C3 1.8215 2.7453 3.7290 1.0999 2.9252 2.9252 1.1009 1.1009
H4 2.3955 1.0999 3.7290 4.6246 1.7913 1.7913 3.9473 3.9473
H5 2.3955 3.7290 1.0999 4.6246 3.9473 3.9473 1.7913 1.7913
H6 2.4383 1.1009 2.9252 1.7913 3.9473 1.8028 3.2262 2.6755
H7 2.4383 1.1009 2.9252 1.7913 3.9473 1.8028 2.6755 3.2262
H8 2.4383 2.9252 1.1009 3.9473 1.7913 3.2262 2.6755 1.8028
H9 2.4383 2.9252 1.1009 3.9473 1.7913 2.6755 3.2262 1.8028
Maximum atom distance is 4.6246Å 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 97.802
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.589 S1 C2 H6 110.667
S1 C2 H7 110.667 S1 C3 H5 107.589
S1 C3 H8 110.667 S1 C3 H9 110.667
H4 C2 H6 108.964 H4 C2 H7 108.964
H5 C3 H8 108.964 H5 C3 H9 108.964
H6 C2 H7 109.927 H8 C3 H9 109.927

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