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

All data (experiment and calculated) in the CCCBDB for CP (Carbon monophosphide)

Other names
Carbon phosphide;

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   275  
Energy 298.15K   239  
Atomization Enthalpy 298.15K x233x
Atomization Enthalpy 0K x252x
Entropy (298.15K) entropy x228x
Entropy at any temperature   228  
Integrated Heat Capacity integrated heat capacity x228x
Heat Capacity (Cp) Heat capacity x228x
Nuclear Repulsion Energy   245  
HOMO-LUMO Energies HOMO energies   220  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x208  
Internal Coordinates bond lengths bond angles x208x
Products of moments of inertia moments of inertia x219x
Rotational Constants rotational constants x223x
Point Group  229 
Vibrations Vibrational Frequencies vibrations x222x
Vibrational Intensities  207 
Zero-point energies x222x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   172  
Dipole dipole  150 
Quadrupole quadrupole  153 
Polarizability polarizability  145 
Other results Spin   178  
Number of basis functions   6  
Diagnostics   4  
Conformations   1