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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=FULL/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6705   0.0000 0.6705 0.0000
C2 0.0000 1.3748 -0.5190   1.3748 -0.5190 0.0000
C3 0.0000 -1.3748 -0.5190   -1.3748 -0.5190 0.0000
H4 0.0000 2.3107 0.0589   2.3107 0.0589 0.0000
H5 0.0000 -2.3107 0.0589   -2.3107 0.0589 0.0000
H6 0.8998 1.3501 -1.1543   1.3501 -1.1543 0.8998
H7 -0.8998 1.3501 -1.1543   1.3501 -1.1543 -0.8998
H8 -0.8998 -1.3501 -1.1543   -1.3501 -1.1543 -0.8998
H9 0.8998 -1.3501 -1.1543   -1.3501 -1.1543 0.8998
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8180 1.8180 2.3903 2.3903 2.4418 2.4418 2.4418 2.4418
C2 1.8180 2.7496 1.1000 3.7305 1.1017 1.1017 2.9391 2.9391
C3 1.8180 2.7496 3.7305 1.1000 2.9391 2.9391 1.1017 1.1017
H4 2.3903 1.1000 3.7305 4.6214 1.7900 1.7900 3.9602 3.9602
H5 2.3903 3.7305 1.1000 4.6214 3.9602 3.9602 1.7900 1.7900
H6 2.4418 1.1017 2.9391 1.7900 3.9602 1.7996 3.2450 2.7003
H7 2.4418 1.1017 2.9391 1.7900 3.9602 1.7996 2.7003 3.2450
H8 2.4418 2.9391 1.1017 3.9602 1.7900 3.2450 2.7003 1.7996
H9 2.4418 2.9391 1.1017 3.9602 1.7900 2.7003 3.2450 1.7996
Maximum atom distance is 4.6214Å 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 98.264
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.438 S1 C2 H6 111.124
S1 C2 H7 111.124 S1 C3 H5 107.438
S1 C3 H8 111.124 S1 C3 H9 111.124
H4 C2 H6 108.782 H4 C2 H7 108.782
H5 C3 H8 108.782 H5 C3 H9 108.782
H6 C2 H7 109.514 H8 C3 H9 109.514

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