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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=FULL/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 0.6655   0.6655 0.0000 0.0000
C2 0.0000 1.3629 -0.5151   -0.5151 0.0000 1.3629
C3 0.0000 -1.3629 -0.5151   -0.5151 0.0000 -1.3629
H4 0.0000 2.2909 0.0508   0.0508 0.0000 2.2909
H5 0.0000 -2.2909 0.0508   0.0508 0.0000 -2.2909
H6 0.8889 1.3399 -1.1424   -1.1424 0.8889 1.3399
H7 -0.8889 1.3399 -1.1424   -1.1424 -0.8889 1.3399
H8 -0.8889 -1.3399 -1.1424   -1.1424 -0.8889 -1.3399
H9 0.8889 -1.3399 -1.1424   -1.1424 0.8889 -1.3399
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8032 1.8032 2.3719 2.3719 2.4195 2.4195 2.4195 2.4195
C2 1.8032 2.7259 1.0869 3.6974 1.0882 1.0882 2.9136 2.9136
C3 1.8032 2.7259 3.6974 1.0869 2.9136 2.9136 1.0882 1.0882
H4 2.3719 1.0869 3.6974 4.5818 1.7659 1.7659 3.9239 3.9239
H5 2.3719 3.6974 1.0869 4.5818 3.9239 3.9239 1.7659 1.7659
H6 2.4195 1.0882 2.9136 1.7659 3.9239 1.7778 3.2158 2.6798
H7 2.4195 1.0882 2.9136 1.7659 3.9239 1.7778 2.6798 3.2158
H8 2.4195 2.9136 1.0882 3.9239 1.7659 3.2158 2.6798 1.7778
H9 2.4195 2.9136 1.0882 3.9239 1.7659 2.6798 3.2158 1.7778
Maximum atom distance is 4.5818Å 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 98.200
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.725 S1 C2 H6 111.190
S1 C2 H7 111.190 S1 C3 H5 107.725
S1 C3 H8 111.190 S1 C3 H9 111.190
H4 C2 H6 108.556 H4 C2 H7 108.556
H5 C3 H8 108.556 H5 C3 H9 108.556
H6 C2 H7 109.535 H8 C3 H9 109.535

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