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

Listing of experimental geometry data for NF3 (Nitrogen trifluoride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.35628 0.35628 0.19493
Rotational Constants from 1996Nov/Che:219
Calculated rotational constants for NF3 (Nitrogen trifluoride).

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
rNF 1.365 1 2 1998Kuc
aFNF 102.37 2 1 3 1998Kuc
aXNF 115.88 255 1 2 1998Kuc from symmetry. X is on symmetry axis
picture of Nitrogen trifluoride

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

Atom x (Å) y (Å) z (Å)
N1 0.0000 0.0000 0.4731
F2 0.0000 1.2279 -0.1226
F3 1.0634 -0.6140 -0.1226
F4 -1.0634 -0.6140 -0.1226

Atom - Atom Distances (Å)
  N1 F2 F3 F4
N11.36481.36481.3648
F21.36482.12682.1268
F31.36482.12682.1268
F41.36482.12682.1268

Calculated geometries for NF3 (Nitrogen trifluoride).


References
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squib reference DOI
1996Nov/Che:219 Novick, S.; Chen, W.; Munrow, M.; Grant, K. "Hyperfine Structure in the Microwave Spectrum of NF3." Journal of Molecular Spectroscopy. 179, 219-222 (1996) 10.1006/jmsp.1996.0199
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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