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

All data (experiment and calculated) in the CCCBDB for CO+ (carbon monoxide 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   625  
Energy 298.15K   20  
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   621  
HOMO-LUMO Energies HOMO energies   570  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x607  
Internal Coordinates bond lengths bond angles x607x
Products of moments of inertia moments of inertia x605x
Rotational Constants rotational constants x620x
Point Group  622 
Vibrations Vibrational Frequencies vibrations x622x
Vibrational Intensities  547 
Zero-point energies x622x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   348  
Dipole dipole  425 
Quadrupole quadrupole  395 
Polarizability polarizability  343 
Other results Spin   615  
Number of basis functions   38  
Diagnostics   1  
Conformations   1