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

All data (experiment and calculated) in the CCCBDB for Cl2- (chlorine 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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   718  
Energy 298.15K   11  
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   712  
HOMO-LUMO Energies HOMO energies   648  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  712  
Internal Coordinates bond lengths bond angles  712 
Products of moments of inertia moments of inertia  699 
Rotational Constants rotational constants  711 
Point Group  713 
Vibrations Vibrational Frequencies vibrations  709 
Vibrational Intensities  698 
Zero-point energies  709 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   404  
Dipole dipole  486 
Quadrupole quadrupole  441 
Polarizability polarizability  393 
Other results Spin   703  
Number of basis functions   68  
Diagnostics   1  
Conformations   1