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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

CCD/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6657   0.6657 0.0000 0.0000
C2 0.0000 1.3718 -0.5154   -0.5154 0.0000 1.3718
C3 0.0000 -1.3718 -0.5154   -0.5154 0.0000 -1.3718
H4 0.0000 2.2978 0.0552   0.0552 0.0000 2.2978
H5 0.0000 -2.2978 0.0552   0.0552 0.0000 -2.2978
H6 0.8888 1.3508 -1.1443   -1.1443 0.8888 1.3508
H7 -0.8888 1.3508 -1.1443   -1.1443 -0.8888 1.3508
H8 -0.8888 -1.3508 -1.1443   -1.1443 -0.8888 -1.3508
H9 0.8888 -1.3508 -1.1443   -1.1443 0.8888 -1.3508
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8102 1.8102 2.3775 2.3775 2.4271 2.4271 2.4271 2.4271
C2 1.8102 2.7436 1.0877 3.7137 1.0889 1.0889 2.9322 2.9322
C3 1.8102 2.7436 3.7137 1.0877 2.9322 2.9322 1.0889 1.0889
H4 2.3775 1.0877 3.7137 4.5956 1.7679 1.7679 3.9422 3.9422
H5 2.3775 3.7137 1.0877 4.5956 3.9422 3.9422 1.7679 1.7679
H6 2.4271 1.0889 2.9322 1.7679 3.9422 1.7775 3.2339 2.7015
H7 2.4271 1.0889 2.9322 1.7679 3.9422 1.7775 2.7015 3.2339
H8 2.4271 2.9322 1.0889 3.9422 1.7679 3.2339 2.7015 1.7775
H9 2.4271 2.9322 1.0889 3.9422 1.7679 2.7015 3.2339 1.7775
Maximum atom distance is 4.5956Å 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 98.541
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.629 S1 C2 H6 111.234
S1 C2 H7 111.234 S1 C3 H5 107.629
S1 C3 H8 111.234 S1 C3 H9 111.234
H4 C2 H6 108.626 H4 C2 H7 108.626
H5 C3 H8 108.626 H5 C3 H9 108.626
H6 C2 H7 109.407 H8 C3 H9 109.407

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