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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

MP3=FULL/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 0.6620   0.0000 0.6620 0.0000
C2 0.0000 1.3651 -0.5135   1.3651 -0.5135 0.0000
C3 0.0000 -1.3651 -0.5135   -1.3651 -0.5135 0.0000
H4 0.0000 2.2853 0.0591   2.2853 0.0591 0.0000
H5 0.0000 -2.2853 0.0591   -2.2853 0.0591 0.0000
H6 0.8875 1.3380 -1.1372   1.3380 -1.1372 0.8875
H7 -0.8875 1.3380 -1.1372   1.3380 -1.1372 -0.8875
H8 -0.8875 -1.3380 -1.1372   -1.3380 -1.1372 -0.8875
H9 0.8875 -1.3380 -1.1372   -1.3380 -1.1372 0.8875
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8015 1.8015 2.3635 2.3635 2.4114 2.4114 2.4114 2.4114
C2 1.8015 2.7303 1.0838 3.6950 1.0851 1.0851 2.9126 2.9126
C3 1.8015 2.7303 3.6950 1.0838 2.9126 2.9126 1.0851 1.0851
H4 2.3635 1.0838 3.6950 4.5706 1.7653 1.7653 3.9175 3.9175
H5 2.3635 3.6950 1.0838 4.5706 3.9175 3.9175 1.7653 1.7653
H6 2.4114 1.0851 2.9126 1.7653 3.9175 1.7751 3.2112 2.6760
H7 2.4114 1.0851 2.9126 1.7653 3.9175 1.7751 2.6760 3.2112
H8 2.4114 2.9126 1.0851 3.9175 1.7653 3.2112 2.6760 1.7751
H9 2.4114 2.9126 1.0851 3.9175 1.7653 2.6760 3.2112 1.7751
Maximum atom distance is 4.5706Å 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 98.538
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.374 S1 C2 H6 110.860
S1 C2 H7 110.860 S1 C3 H5 107.374
S1 C3 H8 110.860 S1 C3 H9 110.860
H4 C2 H6 108.961 H4 C2 H7 108.961
H5 C3 H8 108.961 H5 C3 H9 108.961
H6 C2 H7 109.757 H8 C3 H9 109.757

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