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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

wB97X-D/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6940   0.0000 0.6940 0.0000
C2 0.0000 1.4177 -0.5444   1.4177 -0.5444 0.0000
C3 0.0000 -1.4177 -0.5444   -1.4177 -0.5444 0.0000
H4 0.0000 2.3396 0.0377   2.3396 0.0377 0.0000
H5 0.0000 -2.3396 0.0377   -2.3396 0.0377 0.0000
H6 0.8981 1.3664 -1.1616   1.3664 -1.1616 0.8981
H7 -0.8981 1.3664 -1.1616   1.3664 -1.1616 -0.8981
H8 -0.8981 -1.3664 -1.1616   -1.3664 -1.1616 -0.8981
H9 0.8981 -1.3664 -1.1616   -1.3664 -1.1616 0.8981
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8825 1.8825 2.4300 2.4300 2.4732 2.4732 2.4732 2.4732
C2 1.8825 2.8354 1.0903 3.8022 1.0909 1.0909 2.9897 2.9897
C3 1.8825 2.8354 3.8022 1.0903 2.9897 2.9897 1.0909 1.0909
H4 2.4300 1.0903 3.8022 4.6793 1.7866 1.7866 3.9974 3.9974
H5 2.4300 3.8022 1.0903 4.6793 3.9974 3.9974 1.7866 1.7866
H6 2.4732 1.0909 2.9897 1.7866 3.9974 1.7962 3.2702 2.7327
H7 2.4732 1.0909 2.9897 1.7866 3.9974 1.7962 2.7327 3.2702
H8 2.4732 2.9897 1.0909 3.9974 1.7866 3.2702 2.7327 1.7962
H9 2.4732 2.9897 1.0909 3.9974 1.7866 2.7327 3.2702 1.7962
Maximum atom distance is 4.6793Å 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 97.722
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 106.593 S1 C2 H6 109.679
S1 C2 H7 109.679 S1 C3 H5 106.593
S1 C3 H8 109.679 S1 C3 H9 109.679
H4 C2 H6 109.988 H4 C2 H7 109.988
H5 C3 H8 109.988 H5 C3 H9 109.988
H6 C2 H7 110.822 H8 C3 H9 110.822

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