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

All data (experiment and calculated) in the CCCBDB for AlN+ (aluminum mononitride cation)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   235  
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   230  
HOMO-LUMO Energies HOMO energies   229  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  229  
Internal Coordinates bond lengths bond angles  229 
Products of moments of inertia moments of inertia  220 
Rotational Constants rotational constants  228 
Point Group  231 
Vibrations Vibrational Frequencies vibrations  228 
Vibrational Intensities  214 
Zero-point energies  228 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   123  
Dipole dipole  135 
Quadrupole quadrupole  133 
Polarizability polarizability  135 
Other results Spin   226  
Number of basis functions   10  
Diagnostics   1  
Conformations   1