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

All data (experiment and calculated) in the CCCBDB for GaF3 (Gallium trifluoride)


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   316  
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   316  
HOMO-LUMO Energies HOMO energies   283  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x316  
Internal Coordinates bond lengths bond angles x316x
Products of moments of inertia moments of inertia x309x
Rotational Constants rotational constants x316x
Point Group  317 
Vibrations Vibrational Frequencies vibrations  316 
Vibrational Intensities  283 
Zero-point energies  316 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   190  
Dipole dipole  252 
Quadrupole quadrupole  224 
Polarizability polarizability  190 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1