return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for HOF (Hypofluorous acid)

1907021335
Other names
Hypofluorous acid;
INChI
InChI=1S/FHO/c1-2/h2H

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   744  
Energy 298.15K   71  
Atomization Enthalpy 298.15K x49x
Atomization Enthalpy 0K x51x
Entropy (298.15K) entropy x21x
Entropy at any temperature   21  
Integrated Heat Capacity integrated heat capacity x21x
Heat Capacity (Cp) Heat capacity x21x
Nuclear Repulsion Energy   713  
HOMO-LUMO Energies HOMO energies   620  
Barriers to Internal Rotation internal rotation  325 
Geometries Cartesians x671  
Internal Coordinates bond lengths bond angles x671x
Products of moments of inertia moments of inertia x673x
Rotational Constants rotational constants x683x
Point Group  710 
Vibrations Vibrational Frequencies vibrations fun. har.681x
Vibrational Intensities  865 
Zero-point energies x681x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   460  
Electronic States Electronic states x 0  
Electrostatics Atom charges   407  
Dipole dipole x568x
Quadrupole quadrupole  465 
Polarizability polarizability  476 
Other results Spin   0  
Number of basis functions   37  
Conformations   1