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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=FULL/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6930   0.0000 0.6930 0.0000
C2 0.0000 1.4336 -0.5430   1.4336 -0.5430 0.0000
C3 0.0000 -1.4336 -0.5430   -1.4336 -0.5430 0.0000
H4 0.0000 2.3549 0.0469   2.3549 0.0469 0.0000
H5 0.0000 -2.3549 0.0469   -2.3549 0.0469 0.0000
H6 0.8989 1.3955 -1.1664   1.3955 -1.1664 0.8989
H7 -0.8989 1.3955 -1.1664   1.3955 -1.1664 -0.8989
H8 -0.8989 -1.3955 -1.1664   -1.3955 -1.1664 -0.8989
H9 0.8989 -1.3955 -1.1664   -1.3955 -1.1664 0.8989
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8928 1.8928 2.4419 2.4419 2.4926 2.4926 2.4926 2.4926
C2 1.8928 2.8672 1.0940 3.8341 1.0946 1.0946 3.0332 3.0332
C3 1.8928 2.8672 3.8341 1.0940 3.0332 3.0332 1.0946 1.0946
H4 2.4419 1.0940 3.8341 4.7098 1.7890 1.7890 4.0430 4.0430
H5 2.4419 3.8341 1.0940 4.7098 4.0430 4.0430 1.7890 1.7890
H6 2.4926 1.0946 3.0332 1.7890 4.0430 1.7978 3.3199 2.7910
H7 2.4926 1.0946 3.0332 1.7890 4.0430 1.7978 2.7910 3.3199
H8 2.4926 3.0332 1.0946 4.0430 1.7890 3.3199 2.7910 1.7978
H9 2.4926 3.0332 1.0946 4.0430 1.7890 2.7910 3.3199 1.7978
Maximum atom distance is 4.7098Å 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 98.468
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 106.604 S1 C2 H6 110.216
S1 C2 H7 110.216 S1 C3 H5 106.604
S1 C3 H8 110.216 S1 C3 H9 110.216
H4 C2 H6 109.659 H4 C2 H7 109.659
H5 C3 H8 109.659 H5 C3 H9 109.659
H6 C2 H7 110.411 H8 C3 H9 110.411

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