National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
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.B.4. (XII.A.4.)

List of experimental bond angles of type aCCF

Bond angles in degrees.
Click on an entry for more experimental geometry data.
Bond type Species Name Angle Comment
aCCF C2H4F2 1,2-difluoroethane 107.40
aCCF CH3CHFCH3 2-Fluoropropane 108.14
aCCF CHF2CHF2 1,1,2,2-tetrafluoroethane 108.50
aCCF CHF2CHF2 1,1,2,2-tetrafluoroethane 109.10
aCCF C3F8 perfluoropropane 109.34
aCCF CF3COOH trifluoroacetic acid 109.50
aCCF C2F6 hexafluoroethane 109.50
aCCF C2H5F fluoroethane 109.70 rs
aCCF CF3CN Acetonitrile, trifluoro- 109.74 from symmetry
aCCF CH2FCH2CH3 1-Fluoropropane 110.00
aCCF CHF2CHF2 1,1,2,2-tetrafluoroethane 110.10
aCCF CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane 110.19
aCCF C3F6 hexafluoropropene 110.30
aCCF CH3COF Acetyl fluoride 110.30
aCCF C2H4F2 1,2-difluoroethane 110.60
aCCF CH3CHF2 Ethane, 1,1-difluoro- 110.70
aCCF CH2CHCH2F Allyl Fluoride 110.90
aCCF CH2CHCH2F Allyl Fluoride 111.68
aCCF CH3CF3 Ethane, 1,1,1-trifluoro- 111.90
aCCF C2H2F2 Ethene, 1,2-difluoro-, (E)- 119.30
Average 110.34 ±2.37
Min 107.40
Max 119.30