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

All data (experiment and calculated) in the CCCBDB for Al2+ (aluminum dimer cation)

INChI
InChI=1S/2Al/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   221  
Energy 298.15K   207  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  203 
Entropy at any temperature   203  
Integrated Heat Capacity integrated heat capacity  203 
Heat Capacity (Cp) Heat capacity  203 
Nuclear Repulsion Energy   217  
HOMO-LUMO Energies HOMO energies   217  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  217  
Internal Coordinates bond lengths bond angles  217 
Products of moments of inertia moments of inertia  210 
Rotational Constants rotational constants  217 
Point Group  218 
Vibrations Vibrational Frequencies vibrations  217 
Vibrational Intensities  204 
Zero-point energies  217 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   120  
Dipole dipole  125 
Quadrupole quadrupole  125 
Polarizability polarizability  125 
Other results Spin   215  
Number of basis functions   34  
Diagnostics   1  
Conformations   1