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

All data (experiment and calculated) in the CCCBDB for NaCl- (sodium chloride anion)

INChI
InChI=1S/ClH.Na/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   242  
Energy 298.15K   9  
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   235  
HOMO-LUMO Energies HOMO energies   234  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  235  
Internal Coordinates bond lengths bond angles  235 
Products of moments of inertia moments of inertia  228 
Rotational Constants rotational constants  234 
Point Group  236 
Vibrations Vibrational Frequencies vibrations  233 
Vibrational Intensities  220 
Zero-point energies  233 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   127  
Dipole dipole  139 
Quadrupole quadrupole  137 
Polarizability polarizability  141 
Other results Spin   222  
Number of basis functions   5  
Diagnostics   1  
Conformations   1