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

All data (experiment and calculated) in the CCCBDB for Al2- (aluminum dimer anion)

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   223  
Energy 298.15K   208  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x204x
Entropy at any temperature   204  
Integrated Heat Capacity integrated heat capacity  204 
Heat Capacity (Cp) Heat capacity  204 
Nuclear Repulsion Energy   218  
HOMO-LUMO Energies HOMO energies   218  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  218  
Internal Coordinates bond lengths bond angles  218 
Products of moments of inertia moments of inertia  211 
Rotational Constants rotational constants  218 
Point Group  219 
Vibrations Vibrational Frequencies vibrations  218 
Vibrational Intensities  205 
Zero-point energies  218 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   121  
Dipole dipole  126 
Quadrupole quadrupole  126 
Polarizability polarizability  126 
Other results Spin   211  
Number of basis functions   34  
Diagnostics   1  
Conformations   1