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

All data (experiment and calculated) in the CCCBDB for AlH3- (aluminum trihydride anion)

INChI
InChI=1S/Al.3H/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   260  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  239 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   255  
HOMO-LUMO Energies HOMO energies   255  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  255  
Internal Coordinates bond lengths bond angles  255 
Products of moments of inertia moments of inertia  248 
Rotational Constants rotational constants  255 
Point Group  257 
Vibrations Vibrational Frequencies vibrations  255 
Vibrational Intensities  231 
Zero-point energies  255 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   145  
Dipole dipole  152 
Quadrupole quadrupole  152 
Polarizability polarizability  138 
Other results Spin   241  
Number of basis functions   35  
Diagnostics   0  
Conformations   2 x