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

All data (experiment and calculated) in the CCCBDB for LiN (Lithium Nitride)

INChI
InChI=1S/Li.N

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      
Energy 0K   493  
Energy 298.15K   15  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   489  
HOMO-LUMO Energies HOMO energies   461  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  461  
Internal Coordinates bond lengths bond angles  461 
Products of moments of inertia moments of inertia  448 
Rotational Constants rotational constants  460 
Point Group  491 
Vibrations Vibrational Frequencies vibrations  493 
Vibrational Intensities  438 
Zero-point energies  493 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   229  
Electrostatics Atom charges   275  
Dipole dipole  275 
Quadrupole quadrupole  275 
Polarizability polarizability  255 
Other results Spin   257  
Number of basis functions   31  
Diagnostics   0  
Conformations   1