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
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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 aFCF

Bond angles in degrees.
Click on an entry for more experimental geometry data.
Bond type Species Name Angle Comment
aFCF CF2 Difluoromethylene 104.86
aFCF CF2Cl2 difluorodichloromethane 106.23
aFCF CBrClF2 Methane, bromochlorodifluoro- 106.80
aFCF CH3CF3 Ethane, 1,1,1-trifluoro- 106.93 from symmetry
aFCF C3F8 perfluoropropane 107.00
aFCF CHF2Cl difluorochloromethane 107.00 a0
aFCF CH3CHF2 Ethane, 1,1-difluoro- 107.40
aFCF CHF2CHF2 1,1,2,2-tetrafluoroethane 107.40
aFCF CF2O Carbonic difluoride 108.00
aFCF CF3I trifluoroiodomethane 108.42
aFCF CH2F2 Methane, difluoro- 108.49
aFCF F2CCCF2 tetrafluoroallene 108.50
aFCF CHF3 Methane, trifluoro- 108.58 re
aFCF CF3Cl Methane, chlorotrifluoro- 108.60
aFCF CHF2CHF2 1,1,2,2-tetrafluoroethane 108.70
aFCF CF3Br Bromotrifluoromethane 108.81
aFCF CF3CN Acetonitrile, trifluoro- 109.23
aFCF C3F8 perfluoropropane 109.30
aFCF CF3OF Trifluoromethylhypofluorite 109.40
aFCF CF3COOH trifluoroacetic acid 109.40
aFCF CF4 Carbon tetrafluoride 109.47 symmetry
aFCF CH2CF2 Ethene, 1,1-difluoro- 110.60
aFCF CF3 Trifluoromethyl radical 110.76
aFCF C2HF3 Trifluoroethylene 112.00
aFCF CF2CCl2 difluorodichloroethylene 112.10
aFCF C2F4 Tetrafluoroethylene 112.40 by symmetry
Average 108.71 ±1.83
Min 104.86
Max 112.40