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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

QCISD(T)=FULL/daug-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 0.6782   0.0000 0.6782 0.0000
C2 0.0000 1.3798 -0.5261   1.3798 -0.5261 0.0000
C3 0.0000 -1.3798 -0.5261   -1.3798 -0.5261 0.0000
H4 0.0000 2.3209 0.0470   2.3209 0.0470 0.0000
H5 0.0000 -2.3209 0.0470   -2.3209 0.0470 0.0000
H6 0.9035 1.3432 -1.1580   1.3432 -1.1580 0.9035
H7 -0.9035 1.3432 -1.1580   1.3432 -1.1580 -0.9035
H8 -0.9035 -1.3432 -1.1580   -1.3432 -1.1580 -0.9035
H9 0.9035 -1.3432 -1.1580   -1.3432 -1.1580 0.9035
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8315 1.8315 2.4052 2.4052 2.4479 2.4479 2.4479 2.4479
C2 1.8315 2.7597 1.1018 3.7448 1.1032 1.1032 2.9378 2.9378
C3 1.8315 2.7597 3.7448 1.1018 2.9378 2.9378 1.1032 1.1032
H4 2.4052 1.1018 3.7448 4.6418 1.7956 1.7956 3.9616 3.9616
H5 2.4052 3.7448 1.1018 4.6418 3.9616 3.9616 1.7956 1.7956
H6 2.4479 1.1032 2.9378 1.7956 3.9616 1.8071 3.2377 2.6864
H7 2.4479 1.1032 2.9378 1.7956 3.9616 1.8071 2.6864 3.2377
H8 2.4479 2.9378 1.1032 3.9616 1.7956 3.2377 2.6864 1.8071
H9 2.4479 2.9378 1.1032 3.9616 1.7956 2.6864 3.2377 1.8071
Maximum atom distance is 4.6418Å 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 97.773
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.548 S1 C2 H6 110.589
S1 C2 H7 110.589 S1 C3 H5 107.548
S1 C3 H8 110.589 S1 C3 H9 110.589
H4 C2 H6 109.043 H4 C2 H7 109.043
H5 C3 H8 109.043 H5 C3 H9 109.043
H6 C2 H7 109.970 H8 C3 H9 109.970

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