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

All data (experiment and calculated) in the CCCBDB for CN2 (3H-Diazirin-3-ylidene)

INChI
InChI=1S/CN2/c1-2-3-1

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   360  
Energy 298.15K   10  
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   361  
HOMO-LUMO Energies HOMO energies   324  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  361  
Internal Coordinates bond lengths bond angles  361 
Products of moments of inertia moments of inertia  353 
Rotational Constants rotational constants  361 
Point Group  362 
Vibrations Vibrational Frequencies vibrations  361 
Vibrational Intensities  324 
Zero-point energies  361 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   200  
Dipole dipole  268 
Quadrupole quadrupole  240 
Polarizability polarizability  200 
Other results Spin   0  
Number of basis functions   31  
Diagnostics   0  
Conformations   1