return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for ZnF2 (Zinc difluoride)

1907021335
INChI
InChI=1S/2FH.Zn/h2*1H;/q;;+2/p-2

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   248  
Energy 298.15K   234  
Atomization Enthalpy 298.15K  3 
Atomization Enthalpy 0K  149 
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   239  
HOMO-LUMO Energies HOMO energies   241  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  243  
Internal Coordinates bond lengths bond angles  242 
Products of moments of inertia moments of inertia  235 
Rotational Constants rotational constants  239 
Point Group  247 
Vibrations Vibrational Frequencies vibrations  238 
Vibrational Intensities  227 
Zero-point energies  238 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   163  
Dipole dipole  166 
Quadrupole quadrupole  161 
Polarizability polarizability  151 
Other results Spin   0  
Number of basis functions   5  
Conformations   2 x