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

1907021335
Other names
Chlorine fluoride; Chlorine monofluoride; Chlorofluoride; Fluorine chloride;
INChI
InChI=1S/ClF/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   777  
Energy 298.15K   698  
Atomization Enthalpy 298.15K x26x
Atomization Enthalpy 0K x34x
Entropy (298.15K) entropy x21x
Entropy at any temperature   21  
Integrated Heat Capacity integrated heat capacity x21x
Heat Capacity (Cp) Heat capacity x21x
Nuclear Repulsion Energy   734  
HOMO-LUMO Energies HOMO energies   632  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x677  
Internal Coordinates bond lengths bond angles x677x
Products of moments of inertia moments of inertia x718x
Rotational Constants rotational constants x728x
Point Group  756 
Vibrations Vibrational Frequencies vibrations fun. har.716x
Vibrational Intensities  812 
Zero-point energies x716x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   402  
Dipole dipole x526x
Quadrupole quadrupole x433x
Polarizability polarizability  447 
Other results Spin   12  
Number of basis functions   71  
Conformations   1