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

All data (experiment and calculated) in the CCCBDB for FO2 (Dioxygen monofluoride)

Other names
Oxygen fluoride;

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   228  
Energy 298.15K   156  
Atomization Enthalpy 298.15K x156x
Atomization Enthalpy 0K x203x
Entropy (298.15K) entropy x135x
Entropy at any temperature   135  
Integrated Heat Capacity integrated heat capacity x135x
Heat Capacity (Cp) Heat capacity x135x
Nuclear Repulsion Energy   186  
HOMO-LUMO Energies HOMO energies   162  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x135  
Internal Coordinates bond lengths bond angles x135x
Products of moments of inertia moments of inertia x151x
Rotational Constants rotational constants x155x
Point Group  176 
Vibrations Vibrational Frequencies vibrations x135x
Vibrational Intensities  132 
Zero-point energies x135x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   152  
Dipole dipole  125 
Quadrupole quadrupole  84 
Polarizability polarizability  96 
Other results Spin   147  
Number of basis functions   3  
Diagnostics   5  
Conformations   1