National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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

Listing of experimental geometry data for CF4 (Carbon tetrafluoride)

No experimental rotational constants available.
Calculated rotational constants for CF4 (Carbon tetrafluoride).

Point Group Td

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
rCF 1.315 1 2 1998Kuc
aFCF 109.4712 2 1 3 symmetry
picture of Carbon tetrafluoride

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-F 4

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
F2 0.7593 0.7593 0.7593
F3 -0.7593 -0.7593 0.7593
F4 -0.7593 0.7593 -0.7593
F5 0.7593 -0.7593 -0.7593

Atom - Atom Distances (Å)

  C1 F2 F3 F4 F5
C11.31511.31511.31511.3151
F21.31512.14752.14752.1475
F31.31512.14752.14752.1475
F41.31512.14752.14752.1475
F51.31512.14752.14752.1475

Calculated geometries for CF4 (Carbon tetrafluoride).
References
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squib reference DOI
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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