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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

HF/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6492   0.6492 0.0000 0.0000
C2 0.0000 1.3837 -0.5040   -0.5040 0.0000 1.3837
C3 0.0000 -1.3837 -0.5040   -0.5040 0.0000 -1.3837
H4 0.0000 2.2907 0.0837   0.0837 0.0000 2.2907
H5 0.0000 -2.2907 0.0837   0.0837 0.0000 -2.2907
H6 0.8842 1.3711 -1.1265   -1.1265 0.8842 1.3711
H7 -0.8842 1.3711 -1.1265   -1.1265 -0.8842 1.3711
H8 -0.8842 -1.3711 -1.1265   -1.1265 -0.8842 -1.3711
H9 0.8842 -1.3711 -1.1265   -1.1265 0.8842 -1.3711
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8013 1.8013 2.3594 2.3594 2.4114 2.4114 2.4114 2.4114
C2 1.8013 2.7674 1.0807 3.7211 1.0814 1.0814 2.9594 2.9594
C3 1.8013 2.7674 3.7211 1.0807 2.9594 2.9594 1.0814 1.0814
H4 2.3594 1.0807 3.7211 4.5813 1.7584 1.7584 3.9566 3.9566
H5 2.3594 3.7211 1.0807 4.5813 3.9566 3.9566 1.7584 1.7584
H6 2.4114 1.0814 2.9594 1.7584 3.9566 1.7683 3.2629 2.7421
H7 2.4114 1.0814 2.9594 1.7584 3.9566 1.7683 2.7421 3.2629
H8 2.4114 2.9594 1.0814 3.9566 1.7584 3.2629 2.7421 1.7683
H9 2.4114 2.9594 1.0814 3.9566 1.7584 2.7421 3.2629 1.7683
Maximum atom distance is 4.5813Å 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 100.384
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.248 S1 C2 H6 111.074
S1 C2 H7 111.074 S1 C3 H5 107.248
S1 C3 H8 111.074 S1 C3 H9 111.074
H4 C2 H6 108.837 H4 C2 H7 108.837
H5 C3 H8 108.837 H5 C3 H9 108.837
H6 C2 H7 109.690 H8 C3 H9 109.690

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