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

All data (experiment and calculated) in the CCCBDB for HCl (Hydrogen chloride)

Other names
Acide chlorhydrique; Acido cloridrico; Anhydrous hydrochloric acid; Anhydrous hydrogen chloride; Basilin; Chloorwaterstof; Chlorohydric acid; Chlorowodor; Chlorwasserstoff; Dilute hydrochloric acid; Hydrochloric Acid; Hydrochloric acid gas; Hydrochloric acid mixture; Hydrochloric acid, anhydrous; Hydrochloride; Hydrogen chloride; Hydrogen-chloride-anhydrous-; Muriatic acid; NA 1789; Salzsaeure; Spirits of salt; UN 1050; UN 1789; UN 2186;
INChI
InChI=1/ClH/h1H

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 x    
Energy 0K   946  
Energy 298.15K   280  
Atomization Enthalpy 298.15K x270x
Atomization Enthalpy 0K x278x
Entropy (298.15K) entropy x262x
Entropy at any temperature   262  
Integrated Heat Capacity integrated heat capacity x262x
Heat Capacity (Cp) Heat capacity x262x
Nuclear Repulsion Energy   909  
HOMO-LUMO Energies HOMO energies   883  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x880  
Internal Coordinates bond lengths bond angles x880x
Products of moments of inertia moments of inertia x881x
Rotational Constants rotational constants x886x
Point Group  892 
Vibrations Vibrational Frequencies vibrations x887x
Vibrational Intensities x702x
Zero-point energies x887x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   448  
Dipole dipole x511x
Quadrupole quadrupole x460x
Polarizability polarizability x423x
Other results Spin   14  
Number of basis functions   12  
Diagnostics   6  
Conformations   1