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

All data (experiment and calculated) in the CCCBDB for ClF5 (chlorinepentafluoride)

Other names
Chlorine fluoride; UN 2548; Chlorine pentafluoride;
INChI
InChI=1S/ClF5/c2-1(3,4,5)6

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   226  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   223  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  212  
Internal Coordinates bond lengths bond angles  212 
Products of moments of inertia moments of inertia  201 
Rotational Constants rotational constants  209 
Point Group  225 
Vibrations Vibrational Frequencies vibrations  207 
Vibrational Intensities  207 
Zero-point energies  207 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   140  
Dipole dipole  135 
Quadrupole quadrupole  137 
Polarizability polarizability  141 
Other results Spin   0  
Number of basis functions   3  
Diagnostics   0  
Conformations   2 x