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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

QCISD/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6660   0.0000 0.6660 0.0000
C2 0.0000 1.3719 -0.5162   1.3719 -0.5162 0.0000
C3 0.0000 -1.3719 -0.5162   -1.3719 -0.5162 0.0000
H4 0.0000 2.2990 0.0579   2.2990 0.0579 0.0000
H5 0.0000 -2.2990 0.0579   -2.2990 0.0579 0.0000
H6 0.8924 1.3455 -1.1443   1.3455 -1.1443 0.8924
H7 -0.8924 1.3455 -1.1443   1.3455 -1.1443 -0.8924
H8 -0.8924 -1.3455 -1.1443   -1.3455 -1.1443 -0.8924
H9 0.8924 -1.3455 -1.1443   -1.3455 -1.1443 0.8924
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8111 1.8111 2.3781 2.3781 2.4257 2.4257 2.4257 2.4257
C2 1.8111 2.7439 1.0905 3.7156 1.0915 1.0915 2.9283 2.9283
C3 1.8111 2.7439 3.7156 1.0905 2.9283 2.9283 1.0915 1.0915
H4 2.3781 1.0905 3.7156 4.5981 1.7751 1.7751 3.9401 3.9401
H5 2.3781 3.7156 1.0905 4.5981 3.9401 3.9401 1.7751 1.7751
H6 2.4257 1.0915 2.9283 1.7751 3.9401 1.7847 3.2290 2.6910
H7 2.4257 1.0915 2.9283 1.7751 3.9401 1.7847 2.6910 3.2290
H8 2.4257 2.9283 1.0915 3.9401 1.7751 3.2290 2.6910 1.7847
H9 2.4257 2.9283 1.0915 3.9401 1.7751 2.6910 3.2290 1.7847
Maximum atom distance is 4.5981Å 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 98.495
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.476 S1 C2 H6 110.932
S1 C2 H7 110.932 S1 C3 H5 107.476
S1 C3 H8 110.932 S1 C3 H9 110.932
H4 C2 H6 108.877 H4 C2 H7 108.877
H5 C3 H8 108.877 H5 C3 H9 108.877
H6 C2 H7 109.677 H8 C3 H9 109.677

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