return to home page

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;
INChI
InChI=1/FH/h1H

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   844  
Energy 298.15K   321  
Atomization Enthalpy 298.15K x306x
Atomization Enthalpy 0K x308x
Entropy (298.15K) entropy x273x
Entropy at any temperature   273  
Integrated Heat Capacity integrated heat capacity x273x
Heat Capacity (Cp) Heat capacity x273x
Nuclear Repulsion Energy   797  
HOMO-LUMO Energies HOMO energies   777  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x748  
Internal Coordinates bond lengths bond angles x748x
Products of moments of inertia moments of inertia x766x
Rotational Constants rotational constants x771x
Point Group  777 
Vibrations Vibrational Frequencies vibrations x773x
Vibrational Intensities  608 
Zero-point energies x773x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   393  
Dipole dipole x435x
Quadrupole quadrupole x392x
Polarizability polarizability  364 
Other results Spin   24  
Number of basis functions   6  
Diagnostics   6  
Conformations   1