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

All data (experiment and calculated) in the CCCBDB for LiO+ (lithium oxide cation)

INChI
InChI=1S/Li.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   518  
Energy 298.15K   19  
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   512  
HOMO-LUMO Energies HOMO energies   511  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  481  
Internal Coordinates bond lengths bond angles  481 
Products of moments of inertia moments of inertia  497 
Rotational Constants rotational constants  511 
Point Group  513 
Vibrations Vibrational Frequencies vibrations  512 
Vibrational Intensities  458 
Zero-point energies  512 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 246  
Electrostatics Atom charges   282  
Dipole dipole  291 
Quadrupole quadrupole  292 
Polarizability polarizability  275 
Other results Spin   256  
Number of basis functions   32  
Diagnostics   1  
Conformations   1