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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-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6671   0.0000 0.6671 0.0000
C2 0.0000 1.3614 -0.5175   1.3614 -0.5175 0.0000
C3 0.0000 -1.3614 -0.5175   -1.3614 -0.5175 0.0000
H4 0.0000 2.2885 0.0515   2.2885 0.0515 0.0000
H5 0.0000 -2.2885 0.0515   -2.2885 0.0515 0.0000
H6 0.8915 1.3263 -1.1416   1.3263 -1.1416 0.8915
H7 -0.8915 1.3263 -1.1416   1.3263 -1.1416 -0.8915
H8 -0.8915 -1.3263 -1.1416   -1.3263 -1.1416 -0.8915
H9 0.8915 -1.3263 -1.1416   -1.3263 -1.1416 0.8915
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8046 1.8046 2.3699 2.3699 2.4135 2.4135 2.4135 2.4135
C2 1.8046 2.7229 1.0877 3.6940 1.0888 1.0888 2.8997 2.8997
C3 1.8046 2.7229 3.6940 1.0877 2.8997 2.8997 1.0888 1.0888
H4 2.3699 1.0877 3.6940 4.5770 1.7731 1.7731 3.9096 3.9096
H5 2.3699 3.6940 1.0877 4.5770 3.9096 3.9096 1.7731 1.7731
H6 2.4135 1.0888 2.8997 1.7731 3.9096 1.7830 3.1962 2.6527
H7 2.4135 1.0888 2.8997 1.7731 3.9096 1.7830 2.6527 3.1962
H8 2.4135 2.8997 1.0888 3.9096 1.7731 3.1962 2.6527 1.7830
H9 2.4135 2.8997 1.0888 3.9096 1.7731 2.6527 3.1962 1.7830
Maximum atom distance is 4.5770Å 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 97.949
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.438 S1 C2 H6 110.605
S1 C2 H7 110.605 S1 C3 H5 107.438
S1 C3 H8 110.605 S1 C3 H9 110.605
H4 C2 H6 109.105 H4 C2 H7 109.105
H5 C3 H8 109.105 H5 C3 H9 109.105
H6 C2 H7 109.925 H8 C3 H9 109.925

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