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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

B97D3/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 0.6644   0.0000 0.6644 0.0000
C2 0.0000 1.3864 -0.5160   1.3864 -0.5160 0.0000
C3 0.0000 -1.3864 -0.5160   -1.3864 -0.5160 0.0000
H4 0.0000 2.3079 0.0706   2.3079 0.0706 0.0000
H5 0.0000 -2.3079 0.0706   -2.3079 0.0706 0.0000
H6 0.8950 1.3644 -1.1451   1.3644 -1.1451 0.8950
H7 -0.8950 1.3644 -1.1451   1.3644 -1.1451 -0.8950
H8 -0.8950 -1.3644 -1.1451   -1.3644 -1.1451 -0.8950
H9 0.8950 -1.3644 -1.1451   -1.3644 -1.1451 0.8950
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8208 1.8208 2.3831 2.3831 2.4366 2.4366 2.4366 2.4366
C2 1.8208 2.7727 1.0924 3.7406 1.0942 1.0942 2.9603 2.9603
C3 1.8208 2.7727 3.7406 1.0924 2.9603 2.9603 1.0942 1.0942
H4 2.3831 1.0924 3.7406 4.6159 1.7802 1.7802 3.9706 3.9706
H5 2.3831 3.7406 1.0924 4.6159 3.9706 3.9706 1.7802 1.7802
H6 2.4366 1.0942 2.9603 1.7802 3.9706 1.7899 3.2635 2.7288
H7 2.4366 1.0942 2.9603 1.7802 3.9706 1.7899 2.7288 3.2635
H8 2.4366 2.9603 1.0942 3.9706 1.7802 3.2635 2.7288 1.7899
H9 2.4366 2.9603 1.0942 3.9706 1.7802 2.7288 3.2635 1.7899
Maximum atom distance is 4.6159Å 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 99.174
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.109 S1 C2 H6 110.945
S1 C2 H7 110.945 S1 C3 H5 107.109
S1 C3 H8 110.945 S1 C3 H9 110.945
H4 C2 H6 109.006 H4 C2 H7 109.006
H5 C3 H8 109.006 H5 C3 H9 109.006
H6 C2 H7 109.756 H8 C3 H9 109.756

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