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

All data (experiment and calculated) in the CCCBDB for LiCl (lithium chloride)

Other names
Chlorku litu; Chlorure de lithium; Lithium chloride; Lithium chloride (LiCl);
INChI
InChI=1/ClH.Li/h1H;/q;+1/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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   241  
Energy 298.15K   210  
Atomization Enthalpy 298.15K x203x
Atomization Enthalpy 0K x210x
Entropy (298.15K) entropy x190x
Entropy at any temperature   190  
Integrated Heat Capacity integrated heat capacity x190x
Heat Capacity (Cp) Heat capacity x190x
Nuclear Repulsion Energy   213  
HOMO-LUMO Energies HOMO energies   194  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x196  
Internal Coordinates bond lengths bond angles x196x
Products of moments of inertia moments of inertia x205x
Rotational Constants rotational constants x210x
Point Group  211 
Vibrations Vibrational Frequencies vibrations x208x
Vibrational Intensities  192 
Zero-point energies x208x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   142  
Dipole dipole x148x
Quadrupole quadrupole  142 
Polarizability polarizability  130 
Other results Spin   13  
Number of basis functions   5  
Diagnostics   5  
Conformations   1