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

All data (experiment and calculated) in the CCCBDB for Li2+ (lithium diatomic cation)

INChI
InChI=1S/2Li/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   183  
Energy 298.15K   166  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  154 
Entropy at any temperature   154  
Integrated Heat Capacity integrated heat capacity  154 
Heat Capacity (Cp) Heat capacity  154 
Nuclear Repulsion Energy   175  
HOMO-LUMO Energies HOMO energies   175  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  167  
Internal Coordinates bond lengths bond angles  167 
Products of moments of inertia moments of inertia  170 
Rotational Constants rotational constants  175 
Point Group  176 
Vibrations Vibrational Frequencies vibrations  176 
Vibrational Intensities  171 
Zero-point energies  176 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   93  
Dipole dipole  98 
Quadrupole quadrupole  98 
Polarizability polarizability  98 
Other results Spin   175  
Number of basis functions   33  
Diagnostics   1  
Conformations   1