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

All data (experiment and calculated) in the CCCBDB for ClF (Chlorine monofluoride)

Other names
Chlorine fluoride; Chlorine monofluoride; Chlorofluoride; Fluorine chloride;

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   337  
Energy 298.15K   268  
Atomization Enthalpy 298.15K x257x
Atomization Enthalpy 0K x266x
Entropy (298.15K) entropy x249x
Entropy at any temperature   249  
Integrated Heat Capacity integrated heat capacity x249x
Heat Capacity (Cp) Heat capacity x249x
Nuclear Repulsion Energy   300  
HOMO-LUMO Energies HOMO energies   288  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x253  
Internal Coordinates bond lengths bond angles x253x
Products of moments of inertia moments of inertia x277x
Rotational Constants rotational constants x282x
Point Group  284 
Vibrations Vibrational Frequencies vibrations x280x
Vibrational Intensities  243 
Zero-point energies x280x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   190  
Dipole dipole x181x
Quadrupole quadrupole x174x
Polarizability polarizability  163 
Other results Spin   14  
Number of basis functions   7  
Diagnostics   6  
Conformations   1