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

All data (experiment and calculated) in the CCCBDB for CuF (Copper monofluoride)

Other names
Copper fluoride; copper(I) fluoride;
INChI
InChI=1/Cu.FH/h;1H/q+1;/p-1

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   196  
Energy 298.15K   170  
Atomization Enthalpy 298.15K x169x
Atomization Enthalpy 0K x169x
Entropy (298.15K) entropy x165x
Entropy at any temperature   165  
Integrated Heat Capacity integrated heat capacity x165x
Heat Capacity (Cp) Heat capacity x165x
Nuclear Repulsion Energy   187  
HOMO-LUMO Energies HOMO energies   186  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x187  
Internal Coordinates bond lengths bond angles x187x
Products of moments of inertia moments of inertia  184 
Rotational Constants rotational constants x185x
Point Group  188 
Vibrations Vibrational Frequencies vibrations x186x
Vibrational Intensities  169 
Zero-point energies x186x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   101  
Dipole dipole x44x
Quadrupole quadrupole  100 
Polarizability polarizability  102 
Other results Spin   0  
Number of basis functions   3  
Diagnostics   4  
Conformations   1