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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   192  
Energy 298.15K   167  
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   184  
HOMO-LUMO Energies HOMO energies   184  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  176  
Internal Coordinates bond lengths bond angles  176 
Products of moments of inertia moments of inertia  177 
Rotational Constants rotational constants  183 
Point Group  185 
Vibrations Vibrational Frequencies vibrations  185 
Vibrational Intensities  180 
Zero-point energies  185 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   91  
Dipole dipole  103 
Quadrupole quadrupole  101 
Polarizability polarizability  104 
Other results Spin   184  
Number of basis functions   34  
Diagnostics   1  
Conformations   1