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

Listing of experimental geometry data for C3H6S (Thietane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
0.33727 0.22260 0.14810
Rotational Constants from 1965Whi/Bee:1839
Calculated rotational constants for C3H6S (Thietane).

Point Group Cs

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 1.847 1 2 1976Hellwege(II/7)
rCC 1.549 2 4 1976Hellwege(II/7)
rCH 1.100 2 5 1976Hellwege(II/7)
aCSC 76.8 2 1 3 1976Hellwege(II/7)
aCCS 90.6 1 2 4 1976Hellwege(II/7)
aCCC 95.6 2 4 3 1976Hellwege(II/7)
picture of Thietane

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

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)

Calculated geometries for C3H6S (Thietane).

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squib reference DOI
1965Whi/Bee:1839 White, M.; Beeson, E.L. "Microwave Spectrum of Trimethylene Sulfide." Journal of Chemical Physics. 43, 1839-1840 (1965) 10.1063/1.1697026
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

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