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

All data (experiment and calculated) in the CCCBDB for ClF- (clorine 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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   163  
Energy 298.15K   8  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  113 
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   161  
HOMO-LUMO Energies HOMO energies   160  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  161  
Internal Coordinates bond lengths bond angles  160 
Products of moments of inertia moments of inertia  154 
Rotational Constants rotational constants  160 
Point Group  162 
Vibrations Vibrational Frequencies vibrations  159 
Vibrational Intensities  145 
Zero-point energies  159 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   96  
Dipole dipole  109 
Quadrupole quadrupole  107 
Polarizability polarizability  111 
Other results Spin   146  
Number of basis functions   7  
Diagnostics   1  
Conformations   1