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

All data (experiment and calculated) in the CCCBDB for N2F2 (Dinitrogen difluoride, (E)-)

Other names
(E)-Difluorodiazene; (E)-N2F2; Difluorodiazene, (E)-; Dinitrogen difluoride, (E)-; FNNF; Nitrogen fluoride (N2F2), (E)-; Nitrogen fluoride, trans; trans-1,2-Difluorodiazene; trans-1,2-Difluorodiimide; trans-Difluorodiazene; (E)-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   240  
Energy 298.15K   230  
Atomization Enthalpy 298.15K x224x
Atomization Enthalpy 0K x224x
Entropy (298.15K) entropy x195x
Entropy at any temperature   195  
Integrated Heat Capacity integrated heat capacity x195x
Heat Capacity (Cp) Heat capacity x195x
Nuclear Repulsion Energy   197  
HOMO-LUMO Energies HOMO energies   190  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  168  
Internal Coordinates bond lengths bond angles  168 
Products of moments of inertia moments of inertia  185 
Rotational Constants rotational constants  189 
Point Group  190 
Vibrations Vibrational Frequencies vibrations x188x
Vibrational Intensities  182 
Zero-point energies x188x
Vibrational scaling factors x
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   155  
Dipole dipole  153 
Quadrupole quadrupole  147 
Polarizability polarizability  133 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   5  
Conformations   1