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

All data (experiment and calculated) in the CCCBDB for CO2- (Carbon dioxide anion)


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   285  
Energy 298.15K   10  
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   279  
HOMO-LUMO Energies HOMO energies   279  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  279  
Internal Coordinates bond lengths bond angles  279 
Products of moments of inertia moments of inertia  271 
Rotational Constants rotational constants  278 
Point Group  280 
Vibrations Vibrational Frequencies vibrations  295 
Vibrational Intensities  264 
Zero-point energies  295 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   140  
Dipole dipole  155 
Quadrupole quadrupole  148 
Polarizability polarizability  141 
Other results Spin   275  
Number of basis functions   37  
Diagnostics   0  
Conformations   2 x