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

All data (experiment and calculated) in the CCCBDB for AlH3+ (aluminum trihydride cation)

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   500  
Energy 298.15K   4  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
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   498  
HOMO-LUMO Energies HOMO energies   497  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  495  
Internal Coordinates bond lengths bond angles  495 
Products of moments of inertia moments of inertia  473 
Rotational Constants rotational constants  476 
Point Group  499 
Vibrations Vibrational Frequencies vibrations  242 
Vibrational Intensities  208 
Zero-point energies  242 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   281  
Dipole dipole  285 
Quadrupole quadrupole  285 
Polarizability polarizability  241 
Other results Spin   497  
Number of basis functions   35  
Diagnostics   0  
Conformations   2 x