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# Listing of experimental geometry data for DS (Mercapto-d)

## Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
A B C
4.90030
Rotational Constants from 1979HUB/HER
Calculated rotational constants for DS (Mercapto-d).

## 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
rSD 1.341 1 2 1979HUB/HER re

## Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
D-S 1
Atom x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.3406

Atom - Atom Distances (Å)
S1 H2
S11.3406
H21.3406

Calculated geometries for DS (Mercapto-d).
References