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

All data (experiment and calculated) in the CCCBDB for O3- (Ozone 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   269  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   264  
HOMO-LUMO Energies HOMO energies   264  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  264  
Internal Coordinates bond lengths bond angles  264 
Products of moments of inertia moments of inertia  256 
Rotational Constants rotational constants  264 
Point Group  265 
Vibrations Vibrational Frequencies vibrations  280 
Vibrational Intensities  251 
Zero-point energies  280 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   145  
Dipole dipole  159 
Quadrupole quadrupole  157 
Polarizability polarizability  145 
Other results Spin   251  
Number of basis functions   8  
Diagnostics   0  
Conformations   2 x