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 ZnF (Zinc monofluoride)

1907021335
INChI
InChI=1S/FH.Zn/h1H;/q;+1/p-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      
Enthalpy 0K enthalpy of formation      
Energy 0K   523  
Energy 298.15K   497  
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   519  
HOMO-LUMO Energies HOMO energies   444  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  516  
Internal Coordinates bond lengths bond angles  516 
Products of moments of inertia moments of inertia  511 
Rotational Constants rotational constants  516 
Point Group  522 
Vibrations Vibrational Frequencies vibrations fun. har.514x
Vibrational Intensities  597 
Zero-point energies x514x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   311  
Dipole dipole  403 
Quadrupole quadrupole  333 
Polarizability polarizability  327 
Other results Spin   521  
Number of basis functions   32  
Conformations   1