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

All data (experiment and calculated) in the CCCBDB for NF2 (Difluoroamino radical)

Other names
Difluoroamidogen; Difluoroamino radical;

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   290  
Energy 298.15K   257  
Atomization Enthalpy 298.15K x251x
Atomization Enthalpy 0K x254x
Entropy (298.15K) entropy x216x
Entropy at any temperature   216  
Integrated Heat Capacity integrated heat capacity x216x
Heat Capacity (Cp) Heat capacity x216x
Nuclear Repulsion Energy   243  
HOMO-LUMO Energies HOMO energies   228  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x201  
Internal Coordinates bond lengths bond angles x201x
Products of moments of inertia moments of inertia x217x
Rotational Constants rotational constants x222x
Point Group  223 
Vibrations Vibrational Frequencies vibrations x221x
Vibrational Intensities  213 
Zero-point energies x221x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   188  
Dipole dipole  168 
Quadrupole quadrupole  170 
Polarizability polarizability  147 
Other results Spin   173  
Number of basis functions   7  
Diagnostics   5  
Conformations   1