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

All data (experiment and calculated) in the CCCBDB for N2+ (diatomic nitrogen cation)

INChI
InChI=1S/N2/c1-2/q+1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   215  
Energy 298.15K   194  
Atomization Enthalpy 298.15K  148 
Atomization Enthalpy 0K  146 
Entropy (298.15K) entropy x179x
Entropy at any temperature   179  
Integrated Heat Capacity integrated heat capacity  179 
Heat Capacity (Cp) Heat capacity  179 
Nuclear Repulsion Energy   208  
HOMO-LUMO Energies HOMO energies   207  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  197  
Internal Coordinates bond lengths bond angles  197 
Products of moments of inertia moments of inertia x201x
Rotational Constants rotational constants x208x
Point Group  209 
Vibrations Vibrational Frequencies vibrations x209x
Vibrational Intensities  198 
Zero-point energies x209x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   114  
Dipole dipole  119 
Quadrupole quadrupole  119 
Polarizability polarizability  117 
Other results Spin   198  
Number of basis functions   36  
Diagnostics   0  
Conformations   1