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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   232  
Energy 298.15K   8  
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   225  
HOMO-LUMO Energies HOMO energies   224  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  225  
Internal Coordinates bond lengths bond angles  225 
Products of moments of inertia moments of inertia  220 
Rotational Constants rotational constants  225 
Point Group  226 
Vibrations Vibrational Frequencies vibrations  224 
Vibrational Intensities  211 
Zero-point energies  224 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  134 
Quadrupole quadrupole  134 
Polarizability polarizability  135 
Other results Spin   210  
Number of basis functions   31  
Diagnostics   1  
Conformations   1