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

All data (experiment and calculated) in the CCCBDB for OClO- (Chlorine dioxide anion)

INChI
InChI=1S/ClO2/c2-1-3/q-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   17  
Energy 298.15K   4  
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   17  
HOMO-LUMO Energies HOMO energies   17  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  17  
Internal Coordinates bond lengths bond angles  16 
Products of moments of inertia moments of inertia  14 
Rotational Constants rotational constants  17 
Point Group  18 
Vibrations Vibrational Frequencies vibrations  16 
Vibrational Intensities  16 
Zero-point energies  16 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   1  
Dipole dipole  11 
Quadrupole quadrupole  7 
Polarizability polarizability  11 
Other results Spin   4  
Number of basis functions   7  
Diagnostics   0  
Conformations   1