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

All data (experiment and calculated) in the CCCBDB for FO- (flourine oxide anion)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   250  
Energy 298.15K   226  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  168 
Entropy (298.15K) entropy  208 
Entropy at any temperature   208  
Integrated Heat Capacity integrated heat capacity  208 
Heat Capacity (Cp) Heat capacity  208 
Nuclear Repulsion Energy   243  
HOMO-LUMO Energies HOMO energies   243  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  230  
Internal Coordinates bond lengths bond angles  230 
Products of moments of inertia moments of inertia  234 
Rotational Constants rotational constants  242 
Point Group  244 
Vibrations Vibrational Frequencies vibrations  243 
Vibrational Intensities  221 
Zero-point energies  243 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   120  
Dipole dipole  132 
Quadrupole quadrupole  30 
Polarizability polarizability  34 
Other results Spin   11  
Number of basis functions   5  
Diagnostics   1  
Conformations   1