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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

M06-2X/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6665   0.6665 0.0000 0.0000
C2 0.0000 1.3707 -0.5172   -0.5172 0.0000 1.3707
C3 0.0000 -1.3707 -0.5172   -0.5172 0.0000 -1.3707
H4 0.0000 2.2960 0.0572   0.0572 0.0000 2.2960
H5 0.0000 -2.2960 0.0572   0.0572 0.0000 -2.2960
H6 0.8928 1.3432 -1.1428   -1.1428 0.8928 1.3432
H7 -0.8928 1.3432 -1.1428   -1.1428 -0.8928 1.3432
H8 -0.8928 -1.3432 -1.1428   -1.1428 -0.8928 -1.3432
H9 0.8928 -1.3432 -1.1428   -1.1428 0.8928 -1.3432
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8111 1.8111 2.3755 2.3755 2.4238 2.4238 2.4238 2.4238
C2 1.8111 2.7414 1.0891 3.7114 1.0905 1.0905 2.9247 2.9247
C3 1.8111 2.7414 3.7114 1.0891 2.9247 2.9247 1.0905 1.0905
H4 2.3755 1.0891 3.7114 4.5920 1.7734 1.7734 3.9346 3.9346
H5 2.3755 3.7114 1.0891 4.5920 3.9346 3.9346 1.7734 1.7734
H6 2.4238 1.0905 2.9247 1.7734 3.9346 1.7857 3.2257 2.6863
H7 2.4238 1.0905 2.9247 1.7734 3.9346 1.7857 2.6863 3.2257
H8 2.4238 2.9247 1.0905 3.9346 1.7734 3.2257 2.6863 1.7857
H9 2.4238 2.9247 1.0905 3.9346 1.7734 2.6863 3.2257 1.7857
Maximum atom distance is 4.5920Å 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 98.374
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.355 S1 C2 H6 110.844
S1 C2 H7 110.844 S1 C3 H5 107.355
S1 C3 H8 110.844 S1 C3 H9 110.844
H4 C2 H6 108.906 H4 C2 H7 108.906
H5 C3 H8 108.906 H5 C3 H9 108.906
H6 C2 H7 109.912 H8 C3 H9 109.912

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