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

All data (experiment and calculated) in the CCCBDB for NaO+ (sodium oxide cation)

INChI
InChI=1S/Na.O/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   221  
Energy 298.15K   9  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  159 
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   215  
HOMO-LUMO Energies HOMO energies   213  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  200  
Internal Coordinates bond lengths bond angles  200 
Products of moments of inertia moments of inertia  206 
Rotational Constants rotational constants  212 
Point Group  216 
Vibrations Vibrational Frequencies vibrations  212 
Vibrational Intensities  196 
Zero-point energies  212 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   117  
Dipole dipole  122 
Quadrupole quadrupole  122 
Polarizability polarizability  123 
Other results Spin   201  
Number of basis functions   32  
Diagnostics   1  
Conformations   1