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

All data (experiment and calculated) in the CCCBDB for C2+ (carbon diatomic 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   875  
Energy 298.15K   242  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  207 
Entropy at any temperature   207  
Integrated Heat Capacity integrated heat capacity  207 
Heat Capacity (Cp) Heat capacity  207 
Nuclear Repulsion Energy   868  
HOMO-LUMO Energies HOMO energies   862  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  847  
Internal Coordinates bond lengths bond angles  847 
Products of moments of inertia moments of inertia  837 
Rotational Constants rotational constants  858 
Point Group  869 
Vibrations Vibrational Frequencies vibrations  858 
Vibrational Intensities  838 
Zero-point energies  858 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 233  
Electrostatics Atom charges   470  
Dipole dipole  270 
Quadrupole quadrupole  517 
Polarizability polarizability  448 
Other results Spin   865  
Number of basis functions   60  
Diagnostics   1  
Conformations   1