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

All data (experiment and calculated) in the CCCBDB for AlCl- (aluminum monochloride anion)

INChI
InChI=1S/Al.ClH/h;1H/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   225  
Energy 298.15K   208  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  204 
Entropy at any temperature   204  
Integrated Heat Capacity integrated heat capacity  204 
Heat Capacity (Cp) Heat capacity  204 
Nuclear Repulsion Energy   220  
HOMO-LUMO Energies HOMO energies   219  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  220  
Internal Coordinates bond lengths bond angles  220 
Products of moments of inertia moments of inertia  213 
Rotational Constants rotational constants  220 
Point Group  221 
Vibrations Vibrational Frequencies vibrations  219 
Vibrational Intensities  205 
Zero-point energies  219 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   123  
Dipole dipole  128 
Quadrupole quadrupole  128 
Polarizability polarizability  128 
Other results Spin   205  
Number of basis functions   33  
Diagnostics   1  
Conformations   1