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I.B.3. (II.A.2.)

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

Other names
(Z)-Difluorodiazene; cis-1,2-Difluorodiimide; cis-Difluorodiazene; FNNF; Nitrogen fluoride (N2F2), (Z)-; Nitrogen fluoride, cis; (Z)-1,2-difluorodiazene;
INChI
InChI=1/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   237  
Energy 298.15K   227  
Atomization Enthalpy 298.15K x222x
Atomization Enthalpy 0K x222x
Entropy (298.15K) entropy x192x
Entropy at any temperature   192  
Integrated Heat Capacity integrated heat capacity x192x
Heat Capacity (Cp) Heat capacity x192x
Nuclear Repulsion Energy   195  
HOMO-LUMO Energies HOMO energies   189  
Barriers to Internal Rotation internal rotation  9 
Geometries Cartesians x168  
Internal Coordinates bond lengths bond angles x168x
Products of moments of inertia moments of inertia x183x
Rotational Constants rotational constants x187x
Point Group  187 
Vibrations Vibrational Frequencies vibrations  187 
Vibrational Intensities  181 
Zero-point energies  187 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   155  
Dipole dipole x153x
Quadrupole quadrupole  147 
Polarizability polarizability  133 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   5  
Conformations   1