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All data (experiment and calculated) in the CCCBDB for AlH2 (aluminum dihydride)

1907021335
INChI
InChI=1S/Al.2H

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 x    
Energy 0K   321  
Energy 298.15K   281  
Atomization Enthalpy 298.15K x27x
Atomization Enthalpy 0K x31x
Entropy (298.15K) entropy x24x
Entropy at any temperature   24  
Integrated Heat Capacity integrated heat capacity x24x
Heat Capacity (Cp) Heat capacity x24x
Nuclear Repulsion Energy   293  
HOMO-LUMO Energies HOMO energies   249  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x270  
Internal Coordinates bond lengths bond angles x269x
Products of moments of inertia moments of inertia x263x
Rotational Constants rotational constants x273x
Point Group  301 
Vibrations Vibrational Frequencies vibrations fun. 268x
Vibrational Intensities  434 
Zero-point energies x268x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   161  
Dipole dipole  181 
Quadrupole quadrupole  174 
Polarizability polarizability  202 
Other results Spin   296  
Number of basis functions   46  
Conformations   1