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All data (experiment and calculated) in the CCCBDB for N2F2 ((Z)-Difluorodiazene)

1907021335
Other names
(Z)-Difluorodiazene; cis-1,2-Difluorodiimide; cis-Difluorodiazene; FNNF; Nitrogen fluoride (N2F2), (Z)-; Nitrogen fluoride, cis; (Z)-1,2-difluorodiazene;
INChI
InChI=1S/F2N2/c1-3-4-2/b4-3-

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   301  
Energy 298.15K   293  
Atomization Enthalpy 298.15K x206x
Atomization Enthalpy 0K x205x
Entropy (298.15K) entropy x177x
Entropy at any temperature   177  
Integrated Heat Capacity integrated heat capacity x177x
Heat Capacity (Cp) Heat capacity x177x
Nuclear Repulsion Energy   253  
HOMO-LUMO Energies HOMO energies   254  
Barriers to Internal Rotation internal rotation  225 
Geometries Cartesians x228  
Internal Coordinates bond lengths bond angles x227x
Products of moments of inertia moments of inertia x246x
Rotational Constants rotational constants x251x
Point Group  251 
Vibrations Vibrational Frequencies vibrations  247 
Vibrational Intensities  263 
Zero-point energies  247 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   195  
Dipole dipole x220x
Quadrupole quadrupole  201 
Polarizability polarizability  185 
Other results Spin   0  
Number of basis functions   6  
Conformations   1