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

All data (experiment and calculated) in the CCCBDB for GaH3 (Gallium trihydride)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   345  
Energy 298.15K   7  
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   343  
HOMO-LUMO Energies HOMO energies   306  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  343  
Internal Coordinates bond lengths bond angles  343 
Products of moments of inertia moments of inertia  336 
Rotational Constants rotational constants  343 
Point Group  344 
Vibrations Vibrational Frequencies vibrations  343 
Vibrational Intensities  304 
Zero-point energies  343 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   194  
Dipole dipole  260 
Quadrupole quadrupole  232 
Polarizability polarizability  194 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   0  
Conformations   1