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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH3SCH3 (Dimethyl sulfide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.59406 0.25421 0.19073
Rotational Constants from 1966Herzberg
Calculated rotational constants for CH3SCH3 (Dimethyl sulfide).

Point Group C2v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCS 1.802 1 2
rCH 1.091 2 4
aCSC 98.9 2 1 3
aHCH 109.6 4 2 6
picture of Dimethyl sulfide

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-S 2
H-C 6

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH3SCH3 (Dimethyl sulfide).


References
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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  

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