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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

CCSD(T)=FULL/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 0.6741   0.0000 0.6741 0.0000
C2 0.0000 1.3764 -0.5218   1.3764 -0.5218 0.0000
C3 0.0000 -1.3764 -0.5218   -1.3764 -0.5218 0.0000
H4 0.0000 2.3168 0.0552   2.3168 0.0552 0.0000
H5 0.0000 -2.3168 0.0552   -2.3168 0.0552 0.0000
H6 0.9024 1.3491 -1.1589   1.3491 -1.1589 0.9024
H7 -0.9024 1.3491 -1.1589   1.3491 -1.1589 -0.9024
H8 -0.9024 -1.3491 -1.1589   -1.3491 -1.1589 -0.9024
H9 0.9024 -1.3491 -1.1589   -1.3491 -1.1589 0.9024
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8234 1.8234 2.3981 2.3981 2.4484 2.4484 2.4484 2.4484
C2 1.8234 2.7529 1.1033 3.7381 1.1050 1.1050 2.9409 2.9409
C3 1.8234 2.7529 3.7381 1.1033 2.9409 2.9409 1.1050 1.1050
H4 2.3981 1.1033 3.7381 4.6336 1.7958 1.7958 3.9658 3.9658
H5 2.3981 3.7381 1.1033 4.6336 3.9658 3.9658 1.7958 1.7958
H6 2.4484 1.1050 2.9409 1.7958 3.9658 1.8049 3.2462 2.6982
H7 2.4484 1.1050 2.9409 1.7958 3.9658 1.8049 2.6982 3.2462
H8 2.4484 2.9409 1.1050 3.9658 1.7958 3.2462 2.6982 1.8049
H9 2.4484 2.9409 1.1050 3.9658 1.7958 2.6982 3.2462 1.8049
Maximum atom distance is 4.6336Å 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 98.029
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.482 S1 C2 H6 111.067
S1 C2 H7 111.067 S1 C3 H5 107.482
S1 C3 H8 111.067 S1 C3 H9 111.067
H4 C2 H6 108.823 H4 C2 H7 108.823
H5 C3 H8 108.823 H5 C3 H9 108.823
H6 C2 H7 109.505 H8 C3 H9 109.505

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