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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

CID/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 0.6615   0.0000 0.6615 0.0000
C2 0.0000 1.3732 -0.5120   1.3732 -0.5120 0.0000
C3 0.0000 -1.3732 -0.5120   -1.3732 -0.5120 0.0000
H4 0.0000 2.2979 0.0620   2.2979 0.0620 0.0000
H5 0.0000 -2.2979 0.0620   -2.2979 0.0620 0.0000
H6 0.8894 1.3543 -1.1410   1.3543 -1.1410 0.8894
H7 -0.8894 1.3543 -1.1410   1.3543 -1.1410 -0.8894
H8 -0.8894 -1.3543 -1.1410   -1.3543 -1.1410 -0.8894
H9 0.8894 -1.3543 -1.1410   -1.3543 -1.1410 0.8894
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8063 1.8063 2.3748 2.3748 2.4237 2.4237 2.4237 2.4237
C2 1.8063 2.7464 1.0884 3.7157 1.0895 1.0895 2.9369 2.9369
C3 1.8063 2.7464 3.7157 1.0884 2.9369 2.9369 1.0895 1.0895
H4 2.3748 1.0884 3.7157 4.5959 1.7689 1.7689 3.9468 3.9468
H5 2.3748 3.7157 1.0884 4.5959 3.9468 3.9468 1.7689 1.7689
H6 2.4237 1.0895 2.9369 1.7689 3.9468 1.7789 3.2405 2.7085
H7 2.4237 1.0895 2.9369 1.7689 3.9468 1.7789 2.7085 3.2405
H8 2.4237 2.9369 1.0895 3.9468 1.7689 3.2405 2.7085 1.7789
H9 2.4237 2.9369 1.0895 3.9468 1.7689 2.7085 3.2405 1.7789
Maximum atom distance is 4.5959Å 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 98.966
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.653 S1 C2 H6 111.214
S1 C2 H7 111.214 S1 C3 H5 107.653
S1 C3 H8 111.214 S1 C3 H9 111.214
H4 C2 H6 108.616 H4 C2 H7 108.616
H5 C3 H8 108.616 H5 C3 H9 108.616
H6 C2 H7 109.441 H8 C3 H9 109.441

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