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

Listing of experimental geometry data for CHBr3 (bromoform)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
  0.04162  
Rotational Constants from 1952Wil/Cox:1524
Calculated rotational constants for CHBr3 (bromoform).

Point Group C3v

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
rCBr 1.924 1 3 1987Kuchitsu(II/15) rg
rCH 1.110 1 2 1987Kuchitsu(II/15)
aBrCBr 111.7 3 1 4 1987Kuchitsu(II/15)
aHCBr 107.2 2 1 3 1987Kuchitsu(II/15)
picture of bromoform

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 1
C-Br 3

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.5235
H2 0.0000 0.0000 1.6335
Br3 0.0000 1.8380 -0.0455
Br4 1.5917 -0.9190 -0.0455
Br5 -1.5917 -0.9190 -0.0455

Atom - Atom Distances (Å)
  C1 H2 Br3 Br4 Br5
C11.11001.92401.92401.9240
H21.11002.48942.48942.4894
Br31.92402.48943.18343.1834
Br41.92402.48943.18343.1834
Br51.92402.48943.18343.1834

Calculated geometries for CHBr3 (bromoform).


References
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squib reference DOI
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.  

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