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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   258  
Energy 298.15K   228  
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   216  
HOMO-LUMO Energies HOMO energies   211  
Barriers to Internal Rotation internal rotation  9 
Geometries Cartesians x188  
Internal Coordinates bond lengths bond angles x188x
Products of moments of inertia moments of inertia x203x
Rotational Constants rotational constants x208x
Point Group  208 
Vibrations Vibrational Frequencies vibrations  206 
Vibrational Intensities  200 
Zero-point energies  206 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   165  
Dipole dipole x168x
Quadrupole quadrupole  160 
Polarizability polarizability  143 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1