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 aHCF

Bond angles in degrees.
Click on an entry for more experimental geometry data.
Bond type Species Name Angle Comment
aHCF HCF Fluoromethylene 104.10
aHCF C2H5F fluoroethane 106.10 rs
aHCF CH3CHFCH3 2-Fluoropropane 106.41 fixed
aHCF CH2CHCH2F Allyl Fluoride 107.10
aHCF CH2FCH2CH3 1-Fluoropropane 107.20
aHCF CH2CHCH2F Allyl Fluoride 107.37
aHCF C2H4F2 1,2-difluoroethane 107.80 H trans to F on other C
aHCF C2H4F2 1,2-difluoroethane 108.20
aHCF CH3CHF2 Ethane, 1,1-difluoro- 108.50
aHCF CH3F Methyl fluoride 108.73 From symmetry
aHCF CHFClBr fluorochlorobromomethane 108.80 fixed
aHCF CH2F2 Methane, difluoro- 108.87 by symmetry
aHCF CHF2Cl difluorochloromethane 108.99
aHCF C2H4F2 1,2-difluoroethane 109.60 H gauche to F on other C
aHCF CH2FI fluoroiodomethane 109.66
aHCF HFCO formyl fluoride 109.90
aHCF CH2CHF Ethene, fluoro- 110.00
aHCF CHF3 Methane, trifluoro- 110.35 from symmetry
aHCF CH2CHCH2F Allyl Fluoride 114.68
aHCF C2HF3 Trifluoroethylene 116.00
Average 108.92 ±2.68
Min 104.10
Max 116.00