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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;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   257  
Energy 298.15K   231  
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   214  
HOMO-LUMO Energies HOMO energies   207  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  184  
Internal Coordinates bond lengths bond angles  184 
Products of moments of inertia moments of inertia  200 
Rotational Constants rotational constants  205 
Point Group  207 
Vibrations Vibrational Frequencies vibrations x202x
Vibrational Intensities  196 
Zero-point energies x202x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   165  
Dipole dipole  164 
Quadrupole quadrupole  156 
Polarizability polarizability  143 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1