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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

MP3/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6649   0.0000 0.6649 0.0000
C2 0.0000 1.3704 -0.5157   1.3704 -0.5157 0.0000
C3 0.0000 -1.3704 -0.5157   -1.3704 -0.5157 0.0000
H4 0.0000 2.2907 0.0613   2.2907 0.0613 0.0000
H5 0.0000 -2.2907 0.0613   -2.2907 0.0613 0.0000
H6 0.8883 1.3522 -1.1431   1.3522 -1.1431 0.8883
H7 -0.8883 1.3522 -1.1431   1.3522 -1.1431 -0.8883
H8 -0.8883 -1.3522 -1.1431   -1.3522 -1.1431 -0.8883
H9 0.8883 -1.3522 -1.1431   -1.3522 -1.1431 0.8883
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8088 1.8088 2.3689 2.3689 2.4262 2.4262 2.4262 2.4262
C2 1.8088 2.7407 1.0862 3.7062 1.0877 1.0877 2.9318 2.9318
C3 1.8088 2.7407 3.7062 1.0862 2.9318 2.9318 1.0877 1.0877
H4 2.3689 1.0862 3.7062 4.5814 1.7665 1.7665 3.9383 3.9383
H5 2.3689 3.7062 1.0862 4.5814 3.9383 3.9383 1.7665 1.7665
H6 2.4262 1.0877 2.9318 1.7665 3.9383 1.7766 3.2357 2.7044
H7 2.4262 1.0877 2.9318 1.7665 3.9383 1.7766 2.7044 3.2357
H8 2.4262 2.9318 1.0877 3.9383 1.7665 3.2357 2.7044 1.7766
H9 2.4262 2.9318 1.0877 3.9383 1.7665 2.7044 3.2357 1.7766
Maximum atom distance is 4.5814Å 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 98.511
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.170 S1 C2 H6 111.338
S1 C2 H7 111.338 S1 C3 H5 107.170
S1 C3 H8 111.338 S1 C3 H9 111.338
H4 C2 H6 108.698 H4 C2 H7 108.698
H5 C3 H8 108.698 H5 C3 H9 108.698
H6 C2 H7 109.503 H8 C3 H9 109.503

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