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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

B1B95/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6682   0.6682 0.0000 0.0000
C2 0.0000 1.3681 -0.5175   -0.5175 0.0000 1.3681
C3 0.0000 -1.3681 -0.5175   -0.5175 0.0000 -1.3681
H4 0.0000 2.2990 0.0523   0.0523 0.0000 2.2990
H5 0.0000 -2.2990 0.0523   0.0523 0.0000 -2.2990
H6 0.8925 1.3409 -1.1466   -1.1466 0.8925 1.3409
H7 -0.8925 1.3409 -1.1466   -1.1466 -0.8925 1.3409
H8 -0.8925 -1.3409 -1.1466   -1.1466 -0.8925 -1.3409
H9 0.8925 -1.3409 -1.1466   -1.1466 0.8925 -1.3409
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8104 1.8104 2.3800 2.3800 2.4266 2.4266 2.4266 2.4266
C2 1.8104 2.7362 1.0914 3.7110 1.0923 1.0923 2.9208 2.9208
C3 1.8104 2.7362 3.7110 1.0914 2.9208 2.9208 1.0923 1.0923
H4 2.3800 1.0914 3.7110 4.5979 1.7754 1.7754 3.9348 3.9348
H5 2.3800 3.7110 1.0914 4.5979 3.9348 3.9348 1.7754 1.7754
H6 2.4266 1.0923 2.9208 1.7754 3.9348 1.7851 3.2216 2.6818
H7 2.4266 1.0923 2.9208 1.7754 3.9348 1.7851 2.6818 3.2216
H8 2.4266 2.9208 1.0923 3.9348 1.7754 3.2216 2.6818 1.7851
H9 2.4266 2.9208 1.0923 3.9348 1.7754 2.6818 3.2216 1.7851
Maximum atom distance is 4.5979Å 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 98.169
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.612 S1 C2 H6 111.002
S1 C2 H7 111.002 S1 C3 H5 107.612
S1 C3 H8 111.002 S1 C3 H9 111.002
H4 C2 H6 108.779 H4 C2 H7 108.779
H5 C3 H8 108.779 H5 C3 H9 108.779
H6 C2 H7 109.593 H8 C3 H9 109.593

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