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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   262  
Energy 298.15K   238  
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   256  
HOMO-LUMO Energies HOMO energies   256  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  242  
Internal Coordinates bond lengths bond angles  242 
Products of moments of inertia moments of inertia  247 
Rotational Constants rotational constants  255 
Point Group  257 
Vibrations Vibrational Frequencies vibrations x256x
Vibrational Intensities  234 
Zero-point energies x256x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   133  
Dipole dipole  145 
Quadrupole quadrupole  143 
Polarizability polarizability  147 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   1  
Conformations   1