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

All data (experiment and calculated) in the CCCBDB for HI (Hydrogen iodide)

Other names
Hydriodic acid; Hydroiodic acid; hydrogen iodide;
INChI
InChI=1/HI/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   76  
Energy 298.15K   58  
Atomization Enthalpy 298.15K x49x
Atomization Enthalpy 0K x61x
Entropy (298.15K) entropy x58x
Entropy at any temperature   58  
Integrated Heat Capacity integrated heat capacity x58x
Heat Capacity (Cp) Heat capacity x58x
Nuclear Repulsion Energy   76  
HOMO-LUMO Energies HOMO energies   76  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x76  
Internal Coordinates bond lengths bond angles x76x
Products of moments of inertia moments of inertia x59x
Rotational Constants rotational constants x59x
Point Group  77 
Vibrations Vibrational Frequencies vibrations x76x
Vibrational Intensities  68 
Zero-point energies x76x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   40  
Dipole dipole x40x
Quadrupole quadrupole  40 
Polarizability polarizability  40 
Other results Spin   0  
Number of basis functions   0  
Diagnostics   0  
Conformations   1