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

All data (experiment and calculated) in the CCCBDB for AlN- (aluminum mononitride anion)

INChI
InChI=1S/Al.N/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   228  
Energy 298.15K   9  
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   225  
HOMO-LUMO Energies HOMO energies   224  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  224  
Internal Coordinates bond lengths bond angles  224 
Products of moments of inertia moments of inertia  217 
Rotational Constants rotational constants  224 
Point Group  226 
Vibrations Vibrational Frequencies vibrations  224 
Vibrational Intensities  210 
Zero-point energies  224 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   132  
Dipole dipole  136 
Quadrupole quadrupole  136 
Polarizability polarizability  127 
Other results Spin   223  
Number of basis functions   35  
Diagnostics   1  
Conformations   1