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

All data (experiment and calculated) in the CCCBDB for O2+ (diatomic oxygen cation)

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   207  
Energy 298.15K   193  
Atomization Enthalpy 298.15K  147 
Atomization Enthalpy 0K  147 
Entropy (298.15K) entropy x178x
Entropy at any temperature   178  
Integrated Heat Capacity integrated heat capacity  178 
Heat Capacity (Cp) Heat capacity  178 
Nuclear Repulsion Energy   199  
HOMO-LUMO Energies HOMO energies   185  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x175  
Internal Coordinates bond lengths bond angles x175x
Products of moments of inertia moments of inertia x194x
Rotational Constants rotational constants x199x
Point Group  200 
Vibrations Vibrational Frequencies vibrations x199x
Vibrational Intensities  189 
Zero-point energies  199 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   110  
Dipole dipole  112 
Quadrupole quadrupole  112 
Polarizability polarizability  111 
Other results Spin   198  
Number of basis functions   34  
Diagnostics   0  
Conformations   1