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

Listing of experimental geometry data for ClF3 (Chlorine trifluoride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.45857 0.15383 0.11504
Rotational Constants from 1953Smith:609
Calculated rotational constants for ClF3 (Chlorine trifluoride).

Point Group C2v

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
rFCl 1.597 1 2 2001Muller:1570 re structure
rFCl 1.697 1 3 2001Muller:1570 re structure
aFClF 87.45 2 1 3 2001Muller:1570 re structure
aFClF 174.9 3 1 4 2001Muller:1570 from symmetry assuming planar
picture of Chlorine trifluoride

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
F-Cl 3

Atom x (Å) y (Å) z (Å)
Cl1 0.0000 0.0000 0.3572
F2 0.0000 0.0000 -1.2408
F3 0.0000 1.6964 0.2831
F4 0.0000 -1.6964 0.2831

Atom - Atom Distances (Å)
  Cl1 F2 F3 F4
Cl11.59801.69801.6980
F21.59802.28042.2804
F31.69802.28043.3928
F41.69802.28043.3928

Calculated geometries for ClF3 (Chlorine trifluoride).


References
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