National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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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;

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   929  
Energy 298.15K   256  
Atomization Enthalpy 298.15K x247x
Atomization Enthalpy 0K x248x
Entropy (298.15K) entropy x238x
Entropy at any temperature   238  
Integrated Heat Capacity integrated heat capacity x238x
Heat Capacity (Cp) Heat capacity x238x
Nuclear Repulsion Energy   888  
HOMO-LUMO Energies HOMO energies   874  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x861  
Internal Coordinates bond lengths bond angles x861x
Products of moments of inertia moments of inertia x865x
Rotational Constants rotational constants x869x
Point Group  874 
Vibrations Vibrational Frequencies vibrations x867x
Vibrational Intensities x755x
Zero-point energies x867x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   428  
Dipole dipole x467x
Quadrupole quadrupole x485x
Polarizability polarizability x427x
Other results Spin   10  
Number of basis functions   18  
Conformations   1  
2015 06 10 17:36