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

All data (experiment and calculated) in the CCCBDB for AlH (aluminum monohydride)

Other names
Aluminum hydride;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   314  
Energy 298.15K   255  
Atomization Enthalpy 298.15K x247x
Atomization Enthalpy 0K x255x
Entropy (298.15K) entropy x241x
Entropy at any temperature   241  
Integrated Heat Capacity integrated heat capacity x241x
Heat Capacity (Cp) Heat capacity x241x
Nuclear Repulsion Energy   281  
HOMO-LUMO Energies HOMO energies   275  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x258  
Internal Coordinates bond lengths bond angles x258x
Products of moments of inertia moments of inertia x257x
Rotational Constants rotational constants x262x
Point Group  264 
Vibrations Vibrational Frequencies vibrations x260x
Vibrational Intensities  231 
Zero-point energies x260x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   183  
Dipole dipole  173 
Quadrupole quadrupole  167 
Polarizability polarizability  161 
Other results Spin   11  
Number of basis functions   7  
Diagnostics   6  
Conformations   1