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

Listing of experimental geometry data for BF3 (Borane, trifluoro-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for BF3 (Borane, trifluoro-).

Point Group D3h

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
rBF 1.307 1 2 1998Kuc re value
aFBF 120 2 1 3 1998Kuc
picture of Borane, trifluoro-

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

Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.0000
F2 0.0000 1.3070 0.0000
F3 1.1319 -0.6535 0.0000
F4 -1.1319 -0.6535 0.0000

Atom - Atom Distances (Å)
  B1 F2 F3 F4
B11.30701.30701.3070
F21.30702.26382.2638
F31.30702.26382.2638
F41.30702.26382.2638

Calculated geometries for BF3 (Borane, trifluoro-).


References
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squib reference DOI
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

Got a better number? Please email us at cccbdb@nist.gov


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