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

1907021335
Other names
Acide chlorhydrique; Acido cloridrico; Basilin; Chlorohydric acid; Chlorwasserstoff; Hydrochloric Acid; Hydrochloric acid gas; Hydrochloride; Hydrogen chloride; Muriatic acid; NA 1789;
INChI
InChI=1S/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   1213  
Energy 298.15K   586  
Atomization Enthalpy 298.15K x27x
Atomization Enthalpy 0K x28x
Entropy (298.15K) entropy x21x
Entropy at any temperature   21  
Integrated Heat Capacity integrated heat capacity x21x
Heat Capacity (Cp) Heat capacity x21x
Nuclear Repulsion Energy   1190  
HOMO-LUMO Energies HOMO energies   1099  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x1162  
Internal Coordinates bond lengths bond angles x1162x
Products of moments of inertia moments of inertia x1154x
Rotational Constants rotational constants x1164x
Point Group  1192 
Vibrations Vibrational Frequencies vibrations fun. har.1160x
Vibrational Intensities x1579x
Zero-point energies x1160x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   482  
Electronic States Electronic states x 0  
Electrostatics Atom charges   590  
Dipole dipole x779x
Quadrupole quadrupole x699x
Polarizability polarizability x687x
Other results Spin   2  
Number of basis functions   114  
Conformations   1