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

All data (experiment and calculated) in the CCCBDB for GaF (Gallium monofluoride)


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   332  
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   332  
HOMO-LUMO Energies HOMO energies   295  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x332  
Internal Coordinates bond lengths bond angles x332x
Products of moments of inertia moments of inertia x325x
Rotational Constants rotational constants x332x
Point Group  333 
Vibrations Vibrational Frequencies vibrations x332x
Vibrational Intensities  295 
Zero-point energies x332x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   194  
Dipole dipole x260x
Quadrupole quadrupole  232 
Polarizability polarizability  194 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   0  
Conformations   1