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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   233  
Energy 298.15K   209  
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   228  
HOMO-LUMO Energies HOMO energies   228  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  228  
Internal Coordinates bond lengths bond angles  228 
Products of moments of inertia moments of inertia  219 
Rotational Constants rotational constants  227 
Point Group  229 
Vibrations Vibrational Frequencies vibrations  227 
Vibrational Intensities  214 
Zero-point energies  227 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   119  
Dipole dipole  131 
Quadrupole quadrupole  129 
Polarizability polarizability  131 
Other results Spin   223  
Number of basis functions   6  
Diagnostics   1  
Conformations   1