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

All data (experiment and calculated) in the CCCBDB for CF- (carbon monofluoride 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   526  
Energy 298.15K   18  
Atomization Enthalpy 298.15K  9 
Atomization Enthalpy 0K  325 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   518  
HOMO-LUMO Energies HOMO energies   517  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  485  
Internal Coordinates bond lengths bond angles  485 
Products of moments of inertia moments of inertia  502 
Rotational Constants rotational constants  515 
Point Group  519 
Vibrations Vibrational Frequencies vibrations  515 
Vibrational Intensities  475 
Zero-point energies  515 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 260  
Electrostatics Atom charges   271  
Dipole dipole  292 
Quadrupole quadrupole  289 
Polarizability polarizability  286 
Other results Spin   261  
Number of basis functions   6  
Diagnostics   0  
Conformations   1