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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

CCSD(T)/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 0.6694   0.6694 0.0000 0.0000
C2 0.0000 1.3705 -0.5185   -0.5185 0.0000 1.3705
C3 0.0000 -1.3705 -0.5185   -0.5185 0.0000 -1.3705
H4 0.0000 2.3033 0.0546   0.0546 0.0000 2.3033
H5 0.0000 -2.3033 0.0546   0.0546 0.0000 -2.3033
H6 0.8959 1.3468 -1.1494   -1.1494 0.8959 1.3468
H7 -0.8959 1.3468 -1.1494   -1.1494 -0.8959 1.3468
H8 -0.8959 -1.3468 -1.1494   -1.1494 -0.8959 -1.3468
H9 0.8959 -1.3468 -1.1494   -1.1494 0.8959 -1.3468
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8136 1.8136 2.3839 2.3839 2.4340 2.4340 2.4340 2.4340
C2 1.8136 2.7409 1.0948 3.7182 1.0960 1.0960 2.9299 2.9299
C3 1.8136 2.7409 3.7182 1.0948 2.9299 2.9299 1.0960 1.0960
H4 2.3839 1.0948 3.7182 4.6065 1.7796 1.7796 3.9465 3.9465
H5 2.3839 3.7182 1.0948 4.6065 3.9465 3.9465 1.7796 1.7796
H6 2.4340 1.0960 2.9299 1.7796 3.9465 1.7918 3.2351 2.6936
H7 2.4340 1.0960 2.9299 1.7796 3.9465 1.7918 2.6936 3.2351
H8 2.4340 2.9299 1.0960 3.9465 1.7796 3.2351 2.6936 1.7918
H9 2.4340 2.9299 1.0960 3.9465 1.7796 2.6936 3.2351 1.7918
Maximum atom distance is 4.6065Å 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 98.167
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.519 S1 C2 H6 111.144
S1 C2 H7 111.144 S1 C3 H5 107.519
S1 C3 H8 111.144 S1 C3 H9 111.144
H4 C2 H6 108.645 H4 C2 H7 108.645
H5 C3 H8 108.645 H5 C3 H9 108.645
H6 C2 H7 109.654 H8 C3 H9 109.654

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