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

All data (experiment and calculated) in the CCCBDB for C2- (carbon diatomic 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   268  
Energy 298.15K   240  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x221x
Entropy at any temperature   221  
Integrated Heat Capacity integrated heat capacity  221 
Heat Capacity (Cp) Heat capacity  221 
Nuclear Repulsion Energy   261  
HOMO-LUMO Energies HOMO energies   261  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  247  
Internal Coordinates bond lengths bond angles  247 
Products of moments of inertia moments of inertia  252 
Rotational Constants rotational constants  260 
Point Group  262 
Vibrations Vibrational Frequencies vibrations x261x
Vibrational Intensities  238 
Zero-point energies x261x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   135  
Dipole dipole  147 
Quadrupole quadrupole  145 
Polarizability polarizability  148 
Other results Spin   231  
Number of basis functions   60  
Diagnostics   1  
Conformations   1