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

All data (experiment and calculated) in the CCCBDB for N (Nitrogen atom)

Other names
N; Nitrogen atom; Nitrogen radical; nitrogen;

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   1624  
Energy 298.15K   364  
Atomization Enthalpy 298.15K x0x
Atomization Enthalpy 0K x0x
Entropy (298.15K) entropy x346x
Entropy at any temperature   346  
Integrated Heat Capacity integrated heat capacity x346x
Heat Capacity (Cp) Heat capacity x346x
Nuclear Repulsion Energy   56  
HOMO-LUMO Energies HOMO energies   197  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  3  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  0 
Rotational Constants rotational constants  0 
Point Group  1477 
Vibrations Vibrational Frequencies vibrations  0 
Vibrational Intensities  0 
Zero-point energies x0x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 494  
Electrostatics Atom charges   453  
Dipole dipole x154x
Quadrupole quadrupole  697 
Polarizability polarizability x506x
Other results Spin   1408  
Number of basis functions   36  
Diagnostics   5  
Conformations   1