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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/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6646   0.0000 0.6646 0.0000
C2 0.0000 1.3640 -0.5144   1.3640 -0.5144 0.0000
C3 0.0000 -1.3640 -0.5144   -1.3640 -0.5144 0.0000
H4 0.0000 2.2927 0.0565   2.2927 0.0565 0.0000
H5 0.0000 -2.2927 0.0565   -2.2927 0.0565 0.0000
H6 0.8915 1.3442 -1.1433   1.3442 -1.1433 0.8915
H7 -0.8915 1.3442 -1.1433   1.3442 -1.1433 -0.8915
H8 -0.8915 -1.3442 -1.1433   -1.3442 -1.1433 -0.8915
H9 0.8915 -1.3442 -1.1433   -1.3442 -1.1433 0.8915
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8029 1.8029 2.3720 2.3720 2.4228 2.4228 2.4228 2.4228
C2 1.8029 2.7279 1.0902 3.7009 1.0912 1.0912 2.9196 2.9196
C3 1.8029 2.7279 3.7009 1.0902 2.9196 2.9196 1.0912 1.0912
H4 2.3720 1.0902 3.7009 4.5854 1.7703 1.7703 3.9321 3.9321
H5 2.3720 3.7009 1.0902 4.5854 3.9321 3.9321 1.7703 1.7703
H6 2.4228 1.0912 2.9196 1.7703 3.9321 1.7830 3.2259 2.6884
H7 2.4228 1.0912 2.9196 1.7703 3.9321 1.7830 2.6884 3.2259
H8 2.4228 2.9196 1.0912 3.9321 1.7703 3.2259 2.6884 1.7830
H9 2.4228 2.9196 1.0912 3.9321 1.7703 2.6884 3.2259 1.7830
Maximum atom distance is 4.5854Å 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 98.321
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.580 S1 C2 H6 111.296
S1 C2 H7 111.296 S1 C3 H5 107.580
S1 C3 H8 111.296 S1 C3 H9 111.296
H4 C2 H6 108.496 H4 C2 H7 108.496
H5 C3 H8 108.496 H5 C3 H9 108.496
H6 C2 H7 109.575 H8 C3 H9 109.575

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