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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

B1B95/aug-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 0.6600   0.0000 0.6600 0.0000
C2 0.0000 1.3763 -0.5120   1.3763 -0.5120 0.0000
C3 0.0000 -1.3763 -0.5120   -1.3763 -0.5120 0.0000
H4 0.0000 2.3001 0.0737   2.3001 0.0737 0.0000
H5 0.0000 -2.3001 0.0737   -2.3001 0.0737 0.0000
H6 0.8964 1.3574 -1.1409   1.3574 -1.1409 0.8964
H7 -0.8964 1.3574 -1.1409   1.3574 -1.1409 -0.8964
H8 -0.8964 -1.3574 -1.1409   -1.3574 -1.1409 -0.8964
H9 0.8964 -1.3574 -1.1409   -1.3574 -1.1409 0.8964
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8077 1.8077 2.3737 2.3737 2.4268 2.4268 2.4268 2.4268
C2 1.8077 2.7525 1.0939 3.7227 1.0952 1.0952 2.9448 2.9448
C3 1.8077 2.7525 3.7227 1.0939 2.9448 2.9448 1.0952 1.0952
H4 2.3737 1.0939 3.7227 4.6002 1.7798 1.7798 3.9568 3.9568
H5 2.3737 3.7227 1.0939 4.6002 3.9568 3.9568 1.7798 1.7798
H6 2.4268 1.0952 2.9448 1.7798 3.9568 1.7929 3.2534 2.7148
H7 2.4268 1.0952 2.9448 1.7798 3.9568 1.7929 2.7148 3.2534
H8 2.4268 2.9448 1.0952 3.9568 1.7798 3.2534 2.7148 1.7929
H9 2.4268 2.9448 1.0952 3.9568 1.7798 2.7148 3.2534 1.7929
Maximum atom distance is 4.6002Å 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 99.167
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.209 S1 C2 H6 111.051
S1 C2 H7 111.051 S1 C3 H5 107.209
S1 C3 H8 111.051 S1 C3 H9 111.051
H4 C2 H6 108.787 H4 C2 H7 108.787
H5 C3 H8 108.787 H5 C3 H9 108.787
H6 C2 H7 109.866 H8 C3 H9 109.866

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