return to home page

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

All data (experiment and calculated) in the CCCBDB for FO+ (fluorine monoxide cation)

INChI
InChI=1S/FO/c1-2/q+1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   245  
Energy 298.15K   221  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  203 
Entropy at any temperature   203  
Integrated Heat Capacity integrated heat capacity  203 
Heat Capacity (Cp) Heat capacity  203 
Nuclear Repulsion Energy   238  
HOMO-LUMO Energies HOMO energies   238  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  225  
Internal Coordinates bond lengths bond angles  225 
Products of moments of inertia moments of inertia  229 
Rotational Constants rotational constants  237 
Point Group  239 
Vibrations Vibrational Frequencies vibrations  238 
Vibrational Intensities  216 
Zero-point energies  238 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   115  
Dipole dipole  127 
Quadrupole quadrupole  125 
Polarizability polarizability  129 
Other results Spin   223  
Number of basis functions   5  
Diagnostics   1  
Conformations   1