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

All data (experiment and calculated) in the CCCBDB for GaCl3 (Gallium trichloride)


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   326  
Energy 298.15K   9  
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   326  
HOMO-LUMO Energies HOMO energies   293  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x326  
Internal Coordinates bond lengths bond angles x326x
Products of moments of inertia moments of inertia  318 
Rotational Constants rotational constants  325 
Point Group  327 
Vibrations Vibrational Frequencies vibrations x325x
Vibrational Intensities  293 
Zero-point energies x325x
Vibrational scaling factors x
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