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

Listing of experimental geometry data for HBS (hydrogen boron sulfide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
  0.63654  
Rotational Constants from 1973Pea/McC:1619
Calculated rotational constants for HBS (hydrogen boron sulfide).

Point Group C∞v

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
rBH 1.169 1 2 1973Pea/McC:1619
rBS 1.599 1 3 1973Pea/McC:1619
aHBS 180 2 1 3 1973Pea/McC:1619
picture of hydrogen boron sulfide

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

Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.1692
S3 0.0000 0.0000 -1.5995

Atom - Atom Distances (Å)
  B1 H2 S3
B11.16921.5995
H21.16922.7686
S31.59952.7686

Calculated geometries for HBS (hydrogen boron sulfide).


References
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squib reference DOI
1973Pea/McC:1619 EF Pearson, RV McCormick "Rotational spectrum and structure of thioborine: HBS" J. Chem. Phys. 58(4), 1619-1621, 1973 10.1063/1.1679403

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