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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

CISD/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 0.6891   0.6891 0.0000 0.0000
C2 0.0000 1.4341 -0.5398   -0.5398 0.0000 1.4341
C3 0.0000 -1.4341 -0.5398   -0.5398 0.0000 -1.4341
H4 0.0000 2.3530 0.0502   0.0502 0.0000 2.3530
H5 0.0000 -2.3530 0.0502   0.0502 0.0000 -2.3530
H6 0.8973 1.3970 -1.1623   -1.1623 0.8973 1.3970
H7 -0.8973 1.3970 -1.1623   -1.1623 -0.8973 1.3970
H8 -0.8973 -1.3970 -1.1623   -1.1623 -0.8973 -1.3970
H9 0.8973 -1.3970 -1.1623   -1.1623 0.8973 -1.3970
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8886 1.8886 2.4383 2.4383 2.4869 2.4869 2.4869 2.4869
C2 1.8886 2.8682 1.0920 3.8328 1.0928 1.0928 3.0345 3.0345
C3 1.8886 2.8682 3.8328 1.0920 3.0345 3.0345 1.0928 1.0928
H4 2.4383 1.0920 3.8328 4.7061 1.7859 1.7859 4.0421 4.0421
H5 2.4383 3.8328 1.0920 4.7061 4.0421 4.0421 1.7859 1.7859
H6 2.4869 1.0928 3.0345 1.7859 4.0421 1.7946 3.3208 2.7941
H7 2.4869 1.0928 3.0345 1.7859 4.0421 1.7946 2.7941 3.3208
H8 2.4869 3.0345 1.0928 4.0421 1.7859 3.3208 2.7941 1.7946
H9 2.4869 3.0345 1.0928 4.0421 1.7859 2.7941 3.3208 1.7946
Maximum atom distance is 4.7061Å 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 98.812
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 106.707 S1 C2 H6 110.179
S1 C2 H7 110.179 S1 C3 H5 106.707
S1 C3 H8 110.179 S1 C3 H9 110.179
H4 C2 H6 109.653 H4 C2 H7 109.653
H5 C3 H8 109.653 H5 C3 H9 109.653
H6 C2 H7 110.397 H8 C3 H9 110.397

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