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All data (experiment and calculated) in the CCCBDB for NaF (sodium fluoride)

1907021335
Other names
Fluoride, sodium; Sodium Fluoride; Sodium monofluoride; Villiaumite;
INChI
InChI=1S/FH.Na/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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   580  
Energy 298.15K   554  
Atomization Enthalpy 298.15K x28x
Atomization Enthalpy 0K x32x
Entropy (298.15K) entropy x5x
Entropy at any temperature   5  
Integrated Heat Capacity integrated heat capacity x5x
Heat Capacity (Cp) Heat capacity x5x
Nuclear Repulsion Energy   553  
HOMO-LUMO Energies HOMO energies   459  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x533  
Internal Coordinates bond lengths bond angles x533x
Products of moments of inertia moments of inertia x533x
Rotational Constants rotational constants x542x
Point Group  559 
Vibrations Vibrational Frequencies vibrations fun. har.541x
Vibrational Intensities  627 
Zero-point energies x541x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   289  
Dipole dipole x368x
Quadrupole quadrupole x310x
Polarizability polarizability  364 
Other results Spin   8  
Number of basis functions   100  
Conformations   1