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

All data (experiment and calculated) in the CCCBDB for NF (nitrogen fluoride)

Other names

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   580  
Energy 298.15K   306  
Atomization Enthalpy 298.15K x295x
Atomization Enthalpy 0K x495x
Entropy (298.15K) entropy x255x
Entropy at any temperature   255  
Integrated Heat Capacity integrated heat capacity x255x
Heat Capacity (Cp) Heat capacity x255x
Nuclear Repulsion Energy   530  
HOMO-LUMO Energies HOMO energies   516  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x470  
Internal Coordinates bond lengths bond angles x470x
Products of moments of inertia moments of inertia x496x
Rotational Constants rotational constants x509x
Point Group  513 
Vibrations Vibrational Frequencies vibrations x506x
Vibrational Intensities  456 
Zero-point energies x506x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 258  
Electrostatics Atom charges   337  
Dipole dipole  316 
Quadrupole quadrupole  311 
Polarizability polarizability  298 
Other results Spin   209  
Number of basis functions   6  
Diagnostics   6  
Conformations   1