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

All data (experiment and calculated) in the CCCBDB for ClOO+ (chloroperoxy cation)

INChI
InChI=1S/ClO2/c1-3-2/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   258  
Energy 298.15K   11  
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   253  
HOMO-LUMO Energies HOMO energies   253  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  252  
Internal Coordinates bond lengths bond angles  252 
Products of moments of inertia moments of inertia  245 
Rotational Constants rotational constants  253 
Point Group  254 
Vibrations Vibrational Frequencies vibrations  252 
Vibrational Intensities  230 
Zero-point energies  252 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   144  
Dipole dipole  156 
Quadrupole quadrupole  154 
Polarizability polarizability  142 
Other results Spin   9  
Number of basis functions   7  
Diagnostics   0  
Conformations   1