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

All data (experiment and calculated) in the CCCBDB for CN+ (Cyano cation)

INChI
InChI=1S/CN/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   252  
Energy 298.15K   237  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  220 
Entropy at any temperature   220  
Integrated Heat Capacity integrated heat capacity  220 
Heat Capacity (Cp) Heat capacity  220 
Nuclear Repulsion Energy   246  
HOMO-LUMO Energies HOMO energies   246  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  232  
Internal Coordinates bond lengths bond angles  232 
Products of moments of inertia moments of inertia  239 
Rotational Constants rotational constants  246 
Point Group  247 
Vibrations Vibrational Frequencies vibrations x247x
Vibrational Intensities  225 
Zero-point energies x247x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   135  
Dipole dipole  140 
Quadrupole quadrupole  140 
Polarizability polarizability  139 
Other results Spin   0  
Number of basis functions   32  
Diagnostics   1  
Conformations   1