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

All data (experiment and calculated) in the CCCBDB for HCl+ (hydrogen chloride cation)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   254  
Energy 298.15K   11  
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   250  
HOMO-LUMO Energies HOMO energies   248  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x249  
Internal Coordinates bond lengths bond angles x249x
Products of moments of inertia moments of inertia x240x
Rotational Constants rotational constants x248x
Point Group  251 
Vibrations Vibrational Frequencies vibrations x247x
Vibrational Intensities  228 
Zero-point energies x247x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   132  
Dipole dipole  143 
Quadrupole quadrupole  141 
Polarizability polarizability  144 
Other results Spin   247  
Number of basis functions   12  
Diagnostics   1  
Conformations   1