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

All data (experiment and calculated) in the CCCBDB for CP+ (carbon monophosphide cation)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   462  
Energy 298.15K   21  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
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   459  
HOMO-LUMO Energies HOMO energies   458  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  458  
Internal Coordinates bond lengths bond angles  458 
Products of moments of inertia moments of inertia  440 
Rotational Constants rotational constants  456 
Point Group  460 
Vibrations Vibrational Frequencies vibrations  456 
Vibrational Intensities  431 
Zero-point energies  456 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 239  
Electrostatics Atom charges   248  
Dipole dipole  269 
Quadrupole quadrupole  266 
Polarizability polarizability  272 
Other results Spin   209  
Number of basis functions   6  
Diagnostics   1  
Conformations   1