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

All data (experiment and calculated) in the CCCBDB for AlO+ (aluminum monoxide cation)

INChI
InChI=1S/Al.O/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   245  
Energy 298.15K   219  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x216x
Entropy at any temperature   216  
Integrated Heat Capacity integrated heat capacity  216 
Heat Capacity (Cp) Heat capacity  216 
Nuclear Repulsion Energy   240  
HOMO-LUMO Energies HOMO energies   239  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  239  
Internal Coordinates bond lengths bond angles  239 
Products of moments of inertia moments of inertia  230 
Rotational Constants rotational constants  238 
Point Group  241 
Vibrations Vibrational Frequencies vibrations  238 
Vibrational Intensities  222 
Zero-point energies  238 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  140 
Quadrupole quadrupole  138 
Polarizability polarizability  142 
Other results Spin   0  
Number of basis functions   5  
Diagnostics   1  
Conformations   1