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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/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 0.6781   0.0000 0.6781 0.0000
C2 0.0000 1.3796 -0.5261   1.3796 -0.5261 0.0000
C3 0.0000 -1.3796 -0.5261   -1.3796 -0.5261 0.0000
H4 0.0000 2.3212 0.0472   2.3212 0.0472 0.0000
H5 0.0000 -2.3212 0.0472   -2.3212 0.0472 0.0000
H6 0.9039 1.3429 -1.1579   1.3429 -1.1579 0.9039
H7 -0.9039 1.3429 -1.1579   1.3429 -1.1579 -0.9039
H8 -0.9039 -1.3429 -1.1579   -1.3429 -1.1579 -0.9039
H9 0.9039 -1.3429 -1.1579   -1.3429 -1.1579 0.9039
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8313 1.8313 2.4054 2.4054 2.4478 2.4478 2.4478 2.4478
C2 1.8313 2.7592 1.1023 3.7449 1.1035 1.1035 2.9374 2.9374
C3 1.8313 2.7592 3.7449 1.1023 2.9374 2.9374 1.1035 1.1035
H4 2.4054 1.1023 3.7449 4.6423 1.7962 1.7962 3.9616 3.9616
H5 2.4054 3.7449 1.1023 4.6423 3.9616 3.9616 1.7962 1.7962
H6 2.4478 1.1035 2.9374 1.7962 3.9616 1.8078 3.2375 2.6858
H7 2.4478 1.1035 2.9374 1.7962 3.9616 1.8078 2.6858 3.2375
H8 2.4478 2.9374 1.1035 3.9616 1.7962 3.2375 2.6858 1.8078
H9 2.4478 2.9374 1.1035 3.9616 1.7962 2.6858 3.2375 1.8078
Maximum atom distance is 4.6423Å 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 97.767
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.547 S1 C2 H6 110.577
S1 C2 H7 110.577 S1 C3 H5 107.547
S1 C3 H8 110.577 S1 C3 H9 110.577
H4 C2 H6 109.041 H4 C2 H7 109.041
H5 C3 H8 109.041 H5 C3 H9 109.041
H6 C2 H7 109.998 H8 C3 H9 109.998

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