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

All data (experiment and calculated) in the CCCBDB for C2N2+ (Cyanogen cation)

INChI
InChI=1S/C2N2/c3-1-2-4/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   255  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   252  
HOMO-LUMO Energies HOMO energies   62  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  250  
Internal Coordinates bond lengths bond angles  250 
Products of moments of inertia moments of inertia  242 
Rotational Constants rotational constants  250 
Point Group  253 
Vibrations Vibrational Frequencies vibrations  260 
Vibrational Intensities  237 
Zero-point energies  260 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   144  
Dipole dipole  156 
Quadrupole quadrupole  154 
Polarizability polarizability  141 
Other results Spin   241  
Number of basis functions   5  
Diagnostics   0  
Conformations   1