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

All data (experiment and calculated) in the CCCBDB for O2- (oxygen diatomic anion)

INChI
InChI=1S/O2/c1-2/q-1

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   252  
Energy 298.15K   229  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x205x
Entropy at any temperature   205  
Integrated Heat Capacity integrated heat capacity  205 
Heat Capacity (Cp) Heat capacity  205 
Nuclear Repulsion Energy   245  
HOMO-LUMO Energies HOMO energies   242  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  227  
Internal Coordinates bond lengths bond angles  227 
Products of moments of inertia moments of inertia  235 
Rotational Constants rotational constants  241 
Point Group  246 
Vibrations Vibrational Frequencies vibrations  242 
Vibrational Intensities  223 
Zero-point energies  242 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   126  
Dipole dipole  137 
Quadrupole quadrupole  135 
Polarizability polarizability  138 
Other results Spin   236  
Number of basis functions   61  
Diagnostics   1  
Conformations   1