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

All data (experiment and calculated) in the CCCBDB for AlS+ (aluminum monosulfide cation)

INChI
InChI=1S/Al.S/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   234  
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   229  
HOMO-LUMO Energies HOMO energies   228  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  228  
Internal Coordinates bond lengths bond angles  228 
Products of moments of inertia moments of inertia  219 
Rotational Constants rotational constants  227 
Point Group  230 
Vibrations Vibrational Frequencies vibrations  227 
Vibrational Intensities  213 
Zero-point energies  227 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   122  
Dipole dipole  133 
Quadrupole quadrupole  131 
Polarizability polarizability  135 
Other results Spin   0  
Number of basis functions   5  
Diagnostics   1  
Conformations   1