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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/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6696   0.6696 0.0000 0.0000
C2 0.0000 1.3703 -0.5185   -0.5185 0.0000 1.3703
C3 0.0000 -1.3703 -0.5185   -0.5185 0.0000 -1.3703
H4 0.0000 2.3004 0.0484   0.0484 0.0000 2.3004
H5 0.0000 -2.3004 0.0484   0.0484 0.0000 -2.3004
H6 0.8909 1.3449 -1.1472   -1.1472 0.8909 1.3449
H7 -0.8909 1.3449 -1.1472   -1.1472 -0.8909 1.3449
H8 -0.8909 -1.3449 -1.1472   -1.1472 -0.8909 -1.3449
H9 0.8909 -1.3449 -1.1472   -1.1472 0.8909 -1.3449
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8137 1.8137 2.3828 2.3828 2.4297 2.4297 2.4297 2.4297
C2 1.8137 2.7407 1.0892 3.7142 1.0907 1.0907 2.9260 2.9260
C3 1.8137 2.7407 3.7142 1.0892 2.9260 2.9260 1.0907 1.0907
H4 2.3828 1.0892 3.7142 4.6007 1.7709 1.7709 3.9385 3.9385
H5 2.3828 3.7142 1.0892 4.6007 3.9385 3.9385 1.7709 1.7709
H6 2.4297 1.0907 2.9260 1.7709 3.9385 1.7818 3.2265 2.6899
H7 2.4297 1.0907 2.9260 1.7709 3.9385 1.7818 2.6899 3.2265
H8 2.4297 2.9260 1.0907 3.9385 1.7709 3.2265 2.6899 1.7818
H9 2.4297 2.9260 1.0907 3.9385 1.7709 2.6899 3.2265 1.7818
Maximum atom distance is 4.6007Å 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 98.147
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.708 S1 C2 H6 111.102
S1 C2 H7 111.102 S1 C3 H5 107.708
S1 C3 H8 111.102 S1 C3 H9 111.102
H4 C2 H6 108.657 H4 C2 H7 108.657
H5 C3 H8 108.657 H5 C3 H9 108.657
H6 C2 H7 109.536 H8 C3 H9 109.536

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