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

Listing of experimental geometry data for H2S2 (HSSH)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
4.89866 0.23251 0.23242
Rotational Constants from 1991Beh/Mit:99
Calculated rotational constants for H2S2 (HSSH).

Point Group C2

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
rSS 2.056 1 2 1991Beh/Mit:99
rSH 1.342 1 3 1991Beh/Mit:99
aHSS 97.88 1 2 4 1991Beh/Mit:99
dHSSH 90.3 3 1 2 4 1991Beh/Mit:99
picture of HSSH

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-S 2
S-S 1

Atom x (Å) y (Å) z (Å)
S1 0.0000 1.0282 -0.0552
S2 0.0000 -1.0282 -0.0552
H3 0.9425 1.2122 0.8824
H4 -0.9425 -1.2122 0.8824

Atom - Atom Distances (Å)
  S1 S2 H3 H4
S12.05641.34212.6051
S22.05642.60511.3421
H31.34212.60513.0710
H42.60511.34213.0710

Calculated geometries for H2S2 (HSSH).


References
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squib reference DOI
1991Beh/Mit:99 Behrend, J.; Mittler, P.; Winnewisser, G.; Yamada, K.M.T. "Spectra of Deuterated Disulfane and Spectroscopic Determination of Its Molecular Structure." Journal of Molecular Spectrosopy. 150, 99-119 (1991) 10.1016/0022-2852(91)90196-H

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