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

All data (experiment and calculated) in the CCCBDB for HOF (Hypofluorous acid)

Other names
Hypofluorous acid;

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   306  
Energy 298.15K   268  
Atomization Enthalpy 298.15K x261x
Atomization Enthalpy 0K x265x
Entropy (298.15K) entropy x228x
Entropy at any temperature   228  
Integrated Heat Capacity integrated heat capacity x228x
Heat Capacity (Cp) Heat capacity x228x
Nuclear Repulsion Energy   262  
HOMO-LUMO Energies HOMO energies   249  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x218  
Internal Coordinates bond lengths bond angles x218x
Products of moments of inertia moments of inertia x235x
Rotational Constants rotational constants x240x
Point Group  240 
Vibrations Vibrational Frequencies vibrations x239x
Vibrational Intensities  219 
Zero-point energies x239x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   183  
Dipole dipole x177x
Quadrupole quadrupole  169 
Polarizability polarizability  158 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   6  
Conformations   1