National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
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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I.B.1.d.2.

Bonds types in CCCBDB

All species with C-F bond.

Species Name List all bonds Experimental data
CF Fluoromethylidyne List all bonds Experimental data
HCF Fluoromethylene List all bonds Experimental data
CH2F fluoromethyl radical List all bonds Experimental data
CD3F methylfluoride-d3 List all bonds Experimental data
CH3F Methyl fluoride List all bonds Experimental data
FCN Cyanogen fluoride List all bonds Experimental data
FCO Carbonyl fluoride List all bonds Experimental data
FCO+ Carbonyl fluoride cation List all bonds Experimental data
CF2 Difluoromethylene List all bonds Experimental data
CF2- Difluoromethylene anion List all bonds Experimental data
CF2+ Difluoromethylene cation List all bonds Experimental data
HCCF Fluoroacetylene List all bonds Experimental data
HCCF+ fluoroacetylene cation List all bonds Experimental data
HFCO formyl fluoride List all bonds Experimental data
HFCO+ formyl fluoride cation List all bonds Experimental data
CHF2 difluoromethyl radical List all bonds Experimental data
CH2F2 Methane, difluoro- List all bonds Experimental data
CH2FCl fluorochloromethane List all bonds Experimental data
CH2BrF Methane, bromofluoro- List all bonds Experimental data
CH2CHF Ethene, fluoro- List all bonds Experimental data
CH2CHF+ fluoroethene cation List all bonds Experimental data
C2H5F fluoroethane List all bonds Experimental data
C2F2 difluoroacetylene List all bonds Experimental data
CF2O Carbonic difluoride List all bonds Experimental data
COFCl Carbonic chloride fluoride List all bonds Experimental data
CF3 Trifluoromethyl radical List all bonds Experimental data
CF3- Trifluoromethyl anion List all bonds Experimental data
CF3+ Trifluoromethyl cation List all bonds Experimental data
CHF3 Methane, trifluoro- List all bonds Experimental data
CHF2Cl difluorochloromethane List all bonds Experimental data
CHFCl2 fluorodichloromethane List all bonds Experimental data
CHBrF2 Methane, bromodifluoro- List all bonds Experimental data
CHFClBr fluorochlorobromomethane List all bonds Experimental data
C2H2F2 Ethene, 1,2-difluoro-, (E)- List all bonds Experimental data
C2H2F2 Ethene, 1,2-difluoro-, (Z)- List all bonds Experimental data
CH2CF2 Ethene, 1,1-difluoro- List all bonds Experimental data
CH3COF Acetyl fluoride List all bonds Experimental data
C2H4F2 1,2-difluoroethane List all bonds Experimental data
CH3CHF2 Ethane, 1,1-difluoro- List all bonds Experimental data
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- List all bonds Experimental data
CH3CHFCl Ethane, 1-chloro-1-fluoro- List all bonds Experimental data
CF4 Carbon tetrafluoride List all bonds Experimental data
CF3Cl Methane, chlorotrifluoro- List all bonds Experimental data
CF2Cl2 difluorodichloromethane List all bonds Experimental data
CFCl3 Trichloromonofluoromethane List all bonds Experimental data
CF3Br Bromotrifluoromethane List all bonds Experimental data
CBrClF2 Methane, bromochlorodifluoro- List all bonds Experimental data
CF3I trifluoroiodomethane List all bonds Experimental data
CBr2F2 Methane, dibromodifluoro- List all bonds Experimental data
CFBr3 fluorotribromomethane List all bonds Experimental data
C2HF3 Trifluoroethylene List all bonds Experimental data
C2HF3+ Trifluoroethylene cation List all bonds Experimental data
CHBrCF2 1-Bromo-2,2-difluoroethylene List all bonds Experimental data
CF3OH trifluoromethanol List all bonds Experimental data
CH3CF3 Ethane, 1,1,1-trifluoro- List all bonds Experimental data
CH3CF2Cl 1-Chloro-1,1-Difluoroethane List all bonds Experimental data
CH3CFCl2 1,1-Dichloro-1-fluoroethane List all bonds Experimental data
CF3PH2 phosphine, (trifluoromethyl)- List all bonds Experimental data
CF3CN Acetonitrile, trifluoro- List all bonds Experimental data
CF3CN+ Acetonitrile, trifluoro- cation List all bonds Experimental data
C2F4 Tetrafluoroethylene List all bonds Experimental data
C2F4+ Tetrafluoroethylene cation List all bonds Experimental data
CF2CCl2 difluorodichloroethylene List all bonds Experimental data
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene List all bonds Experimental data
CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene List all bonds Experimental data
CF3OF Trifluoromethylhypofluorite List all bonds Experimental data
CF3CHO trifluoroacetaldehyde List all bonds Experimental data
CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- List all bonds Experimental data
CF3CH2F 1,1,1,2-tetrafluoroethane List all bonds Experimental data
CHF2CHF2 1,1,2,2-tetrafluoroethane List all bonds Experimental data
CF3CH2Cl 2,2,2-Trifluoroethyl chloride List all bonds Experimental data
CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR List all bonds Experimental data
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane List all bonds Experimental data
CF3COOH trifluoroacetic acid List all bonds Experimental data
CF3COO- trifluoro acetate anion List all bonds Experimental data
CF3COF trifluoroacetyl fluoride List all bonds Experimental data
CF3COCl trifluoroacetyl chloride List all bonds Experimental data
CF3CHF2 pentafluoroethane List all bonds Experimental data
CF3CHFCl 1,1,1,2-tetrafluorochloroethane List all bonds Experimental data
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane List all bonds Experimental data
C6H5F Fluorobenzene List all bonds Experimental data
C4F4 tetrafluorcyclobutadiene List all bonds Experimental data
CF3CF2Cl pentafluorochloroethane List all bonds Experimental data
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane List all bonds Experimental data
CF3CFCl2 1,1-Dichlorotetrafluoroethane List all bonds Experimental data
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- List all bonds Experimental data
C2F6 hexafluoroethane List all bonds Experimental data
C6H4F2 metadifluorobenzene List all bonds Experimental data
C6H4F2 orthodifluorobenzene List all bonds Experimental data
C6H4F2 1,4-difluorobenzene List all bonds Experimental data
C6H3F3 Benzene trifluoride 123 List all bonds Experimental data
C4F6 perfluorobutadiene List all bonds Experimental data
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- List all bonds Experimental data
C3F8 perfluoropropane List all bonds Experimental data
C6F6 hexafluorobenzene List all bonds Experimental data