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

All data (experiment and calculated) in the CCCBDB for HClO3 (Chloric Acid)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   457  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   461  
HOMO-LUMO Energies HOMO energies   461  
Barriers to Internal Rotation internal rotation  14 
Geometries Cartesians  461  
Internal Coordinates bond lengths bond angles  461 
Products of moments of inertia moments of inertia  449 
Rotational Constants rotational constants  461 
Point Group  462 
Vibrations Vibrational Frequencies vibrations  459 
Vibrational Intensities  426 
Zero-point energies  459 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   280  
Dipole dipole  280 
Quadrupole quadrupole  274 
Polarizability polarizability  280 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   0  
Conformations   2 x