return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > All data for one species

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

1907021335
Other names
Hydrogen difluoride anion;
INChI
InChI=1S/F2H/c1-3-2/q-1

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   339  
Energy 298.15K   319  
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   336  
HOMO-LUMO Energies HOMO energies   339  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  339  
Internal Coordinates bond lengths bond angles  338 
Products of moments of inertia moments of inertia  323 
Rotational Constants rotational constants  330 
Point Group  340 
Vibrations Vibrational Frequencies vibrations fun. 328x
Vibrational Intensities  308 
Zero-point energies x328x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   213  
Dipole dipole  224 
Quadrupole quadrupole  219 
Polarizability polarizability  239 
Other results Spin   0  
Number of basis functions   29  
Conformations   1