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

All data (experiment and calculated) in the CCCBDB for ClO3- (chlorate anion)

INChI
InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   205  
Energy 298.15K   178  
Atomization Enthalpy 298.15K  145 
Atomization Enthalpy 0K  145 
Entropy (298.15K) entropy  172 
Entropy at any temperature   172  
Integrated Heat Capacity integrated heat capacity  172 
Heat Capacity (Cp) Heat capacity  172 
Nuclear Repulsion Energy   197  
HOMO-LUMO Energies HOMO energies   196  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  197  
Internal Coordinates bond lengths bond angles  197 
Products of moments of inertia moments of inertia  191 
Rotational Constants rotational constants  197 
Point Group  198 
Vibrations Vibrational Frequencies vibrations  195 
Vibrational Intensities  190 
Zero-point energies  195 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   106  
Dipole dipole  118 
Quadrupole quadrupole  116 
Polarizability polarizability  120 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   1