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

All data (experiment and calculated) in the CCCBDB for FHF- (FHF-)

INChI

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies		 Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   318  
Energy 298.15K   6  
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   316  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  316  
Internal Coordinates bond lengths bond angles  316 
Products of moments of inertia moments of inertia  304 
Rotational Constants rotational constants  308 
Point Group  317 
Vibrations Vibrational Frequencies vibrations x308x
Vibrational Intensities  283 
Zero-point energies x308x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   204  
Dipole dipole  204 
Quadrupole quadrupole  204 
Polarizability polarizability  189 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   1