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All data (experiment and calculated) in the CCCBDB for DCl (Hydrochloric acid-d)

1907021335
Other names
Hydrochloric acid-d;
INChI
InChI=1S/ClH/h1H/i/hD

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   313  
Energy 298.15K   276  
Atomization Enthalpy 298.15K x195x
Atomization Enthalpy 0K x198x
Entropy (298.15K) entropy x184x
Entropy at any temperature   184  
Integrated Heat Capacity integrated heat capacity x184x
Heat Capacity (Cp) Heat capacity x184x
Nuclear Repulsion Energy   276  
HOMO-LUMO Energies HOMO energies   277  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x258  
Internal Coordinates bond lengths bond angles x257x
Products of moments of inertia moments of inertia x256x
Rotational Constants rotational constants x261x
Point Group  264 
Vibrations Vibrational Frequencies vibrations fun. har.234x
Vibrational Intensities  217 
Zero-point energies x234x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   197  
Dipole dipole  189 
Quadrupole quadrupole  129 
Polarizability polarizability  176 
Other results Spin   0  
Number of basis functions   6  
Conformations   1