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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/CEP-121G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6975   0.0000 0.6975 0.0000
C2 0.0000 1.4377 -0.5463   1.4377 -0.5463 0.0000
C3 0.0000 -1.4377 -0.5463   -1.4377 -0.5463 0.0000
H4 0.0000 2.3651 0.0428   2.3651 0.0428 0.0000
H5 0.0000 -2.3651 0.0428   -2.3651 0.0428 0.0000
H6 0.9034 1.3997 -1.1725   1.3997 -1.1725 0.9034
H7 -0.9034 1.3997 -1.1725   1.3997 -1.1725 -0.9034
H8 -0.9034 -1.3997 -1.1725   -1.3997 -1.1725 -0.9034
H9 0.9034 -1.3997 -1.1725   -1.3997 -1.1725 0.9034
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.9011 1.9011 2.4541 2.4541 2.5045 2.5045 2.5045 2.5045
C2 1.9011 2.8755 1.0986 3.8482 1.0998 1.0998 3.0429 3.0429
C3 1.9011 2.8755 3.8482 1.0986 3.0429 3.0429 1.0998 1.0998
H4 2.4541 1.0986 3.8482 4.7302 1.7958 1.7958 4.0579 4.0579
H5 2.4541 3.8482 1.0986 4.7302 4.0579 4.0579 1.7958 1.7958
H6 2.5045 1.0998 3.0429 1.7958 4.0579 1.8067 3.3318 2.7994
H7 2.5045 1.0998 3.0429 1.7958 4.0579 1.8067 2.7994 3.3318
H8 2.5045 3.0429 1.0998 4.0579 1.7958 3.3318 2.7994 1.8067
H9 2.5045 3.0429 1.0998 4.0579 1.7958 2.7994 3.3318 1.8067
Maximum atom distance is 4.7302Å 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 98.271
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 106.711 S1 C2 H6 110.265
S1 C2 H7 110.265 S1 C3 H5 106.711
S1 C3 H8 110.265 S1 C3 H9 110.265
H4 C2 H6 109.541 H4 C2 H7 109.541
H5 C3 H8 109.541 H5 C3 H9 109.541
H6 C2 H7 110.442 H8 C3 H9 110.442

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