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

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

INChI
InChI=1S/ClH.Li/h1H;/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      
Energy 0K   246  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  203 
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   241  
HOMO-LUMO Energies HOMO energies   240  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x241  
Internal Coordinates bond lengths bond angles x241x
Products of moments of inertia moments of inertia  232 
Rotational Constants rotational constants  240 
Point Group  242 
Vibrations Vibrational Frequencies vibrations x239x
Vibrational Intensities  224 
Zero-point energies x239x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  141 
Quadrupole quadrupole  139 
Polarizability polarizability  142 
Other results Spin   226  
Number of basis functions   5  
Diagnostics   1  
Conformations   1