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

All data (experiment and calculated) in the CCCBDB for NaCl+ (sodium chloride cation)

INChI
InChI=1S/ClH.Na/h1H;/q;+2/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   229  
Energy 298.15K   8  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  162 
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   222  
HOMO-LUMO Energies HOMO energies   220  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  221  
Internal Coordinates bond lengths bond angles  221 
Products of moments of inertia moments of inertia  216 
Rotational Constants rotational constants  221 
Point Group  223 
Vibrations Vibrational Frequencies vibrations  220 
Vibrational Intensities  205 
Zero-point energies  220 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   124  
Dipole dipole  129 
Quadrupole quadrupole  129 
Polarizability polarizability  129 
Other results Spin   222  
Number of basis functions   31  
Diagnostics   1  
Conformations   1