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

All data (experiment and calculated) in the CCCBDB for AlCl+ (aluminum monochloride cation)

INChI
InChI=1S/Al.ClH/h;1H/q+2;/p-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   223  
Energy 298.15K   204  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x200x
Entropy at any temperature   200  
Integrated Heat Capacity integrated heat capacity  200 
Heat Capacity (Cp) Heat capacity  200 
Nuclear Repulsion Energy   217  
HOMO-LUMO Energies HOMO energies   216  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  217  
Internal Coordinates bond lengths bond angles  217 
Products of moments of inertia moments of inertia  211 
Rotational Constants rotational constants  217 
Point Group  218 
Vibrations Vibrational Frequencies vibrations  216 
Vibrational Intensities  201 
Zero-point energies  216 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   120  
Dipole dipole  125 
Quadrupole quadrupole  125 
Polarizability polarizability  125 
Other results Spin   215  
Number of basis functions   33  
Diagnostics   1  
Conformations   1