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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

HF/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6508   0.0000 0.6508 0.0000
C2 0.0000 1.3871 -0.5056   1.3871 -0.5056 0.0000
C3 0.0000 -1.3871 -0.5056   -1.3871 -0.5056 0.0000
H4 0.0000 2.2938 0.0821   2.2938 0.0821 0.0000
H5 0.0000 -2.2938 0.0821   -2.2938 0.0821 0.0000
H6 0.8846 1.3720 -1.1272   1.3720 -1.1272 0.8846
H7 -0.8846 1.3720 -1.1272   1.3720 -1.1272 -0.8846
H8 -0.8846 -1.3720 -1.1272   -1.3720 -1.1272 -0.8846
H9 0.8846 -1.3720 -1.1272   -1.3720 -1.1272 0.8846
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8059 1.8059 2.3633 2.3633 2.4137 2.4137 2.4137 2.4137
C2 1.8059 2.7743 1.0805 3.7276 1.0812 1.0812 2.9634 2.9634
C3 1.8059 2.7743 3.7276 1.0805 2.9634 2.9634 1.0812 1.0812
H4 2.3633 1.0805 3.7276 4.5877 1.7591 1.7591 3.9602 3.9602
H5 2.3633 3.7276 1.0805 4.5877 3.9602 3.9602 1.7591 1.7591
H6 2.4137 1.0812 2.9634 1.7591 3.9602 1.7691 3.2649 2.7440
H7 2.4137 1.0812 2.9634 1.7591 3.9602 1.7691 2.7440 3.2649
H8 2.4137 2.9634 1.0812 3.9602 1.7591 3.2649 2.7440 1.7691
H9 2.4137 2.9634 1.0812 3.9602 1.7591 2.7440 3.2649 1.7691
Maximum atom distance is 4.5877Å 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 100.368
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.233 S1 C2 H6 110.939
S1 C2 H7 110.939 S1 C3 H5 107.233
S1 C3 H8 110.939 S1 C3 H9 110.939
H4 C2 H6 108.931 H4 C2 H7 108.931
H5 C3 H8 108.931 H5 C3 H9 108.931
H6 C2 H7 109.791 H8 C3 H9 109.791

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