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

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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for HF (Hydrogen fluoride)

Other names
Acide fluorhydrique; Acido fluoridrico; Anhydrous hydrofluoric acid; Boron tribromide; Fluoric acid; Fluorowodor; Fluorwasserstoff; Fluorwaterstof; Hydrofluoric acid; Hydrofluoride; Hydrogen fluoride; Rcra waste number U134; Rubigine; UN 1790; UN 1052;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   926  
Energy 298.15K   65  
Atomization Enthalpy 298.15K x52x
Atomization Enthalpy 0K x54x
Entropy (298.15K) entropy x16x
Entropy at any temperature   16  
Integrated Heat Capacity integrated heat capacity x16x
Heat Capacity (Cp) Heat capacity x16x
Nuclear Repulsion Energy   888  
HOMO-LUMO Energies HOMO energies   811  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x843  
Internal Coordinates bond lengths bond angles x843x
Products of moments of inertia moments of inertia x852x
Rotational Constants rotational constants x862x
Point Group  892 
Vibrations Vibrational Frequencies vibrations x859x
Vibrational Intensities  912 
Zero-point energies x859x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   394  
Dipole dipole x434x
Quadrupole quadrupole x454x
Polarizability polarizability  460 
Other results Spin   9  
Number of basis functions   47  
Conformations   1  
2015 06 10 17:36