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

Listing of experimental geometry data for CHCl3 (Chloroform)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.11015 0.11015 0.05932
Rotational Constants from 1995Car/Seo:215
Calculated rotational constants for CHCl3 (Chloroform).

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
rCH 1.073 1 2 1952Gho/Tra:605
rCCl 1.762 1 3 1956Wol:976
aClCCl 110.92 3 1 4 1956Wol:976
aHCCl 107.98 2 1 3 1956Wol:976 from symmetry
picture of Chloroform

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-Cl 3

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.5231
H2 0.0000 0.0000 1.5961
Cl3 0.0000 1.6562 -0.0928
Cl4 1.4343 -0.8281 -0.0928
Cl5 -1.4343 -0.8281 -0.0928

Atom - Atom Distances (Å)
  C1 H2 Cl3 Cl4 Cl5
C11.07301.76701.76701.7670
H21.07302.36552.36552.3655
Cl31.76702.36552.86862.8686
Cl41.76702.36552.86862.8686
Cl51.76702.36552.86862.8686

Calculated geometries for CHCl3 (Chloroform).


References
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squib reference DOI
1952Gho/Tra:605 Ghosh, S., Trambarulo, R., Gordy, W., Microwave Spectra and Molecular Structures of Fluoroform, Chloroform, and Methyl Chloroform, J. of Chem. Phys., Vol. 20, #4, pgs. 605-607 10.1063/1.1700501
1956Wol:976 Wolfe, P. "Microwave Spectrum of Chloroform." Journal of Chemical Physics. 25, 976-981 (1956) 10.1063/1.1743153

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