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

All data (experiment and calculated) in the CCCBDB for FO (Oxygen monofluoride)

Other names
Oxygen fluoride;
INChI
InChI=1/FO/c1-2

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   342  
Energy 298.15K   274  
Atomization Enthalpy 298.15K x267x
Atomization Enthalpy 0K x273x
Entropy (298.15K) entropy x234x
Entropy at any temperature   234  
Integrated Heat Capacity integrated heat capacity x234x
Heat Capacity (Cp) Heat capacity x234x
Nuclear Repulsion Energy   294  
HOMO-LUMO Energies HOMO energies   268  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x247  
Internal Coordinates bond lengths bond angles x247x
Products of moments of inertia moments of inertia x264x
Rotational Constants rotational constants x269x
Point Group  273 
Vibrations Vibrational Frequencies vibrations x268x
Vibrational Intensities  250 
Zero-point energies x268x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   186  
Dipole dipole x204x
Quadrupole quadrupole  140 
Polarizability polarizability  144 
Other results Spin   227  
Number of basis functions   5  
Diagnostics   6  
Conformations   1