return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for ClO- (chlorine monoxide anion)

1907021335
Other names
hypochlorite;
INChI
InChI=1S/ClO/c1-2/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   262  
Energy 298.15K   249  
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   250  
HOMO-LUMO Energies HOMO energies   253  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  253  
Internal Coordinates bond lengths bond angles  253 
Products of moments of inertia moments of inertia  247 
Rotational Constants rotational constants  251 
Point Group  254 
Vibrations Vibrational Frequencies vibrations  251 
Vibrational Intensities  244 
Zero-point energies  251 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   142  
Dipole dipole  163 
Quadrupole quadrupole  158 
Polarizability polarizability  166 
Other results Spin   11  
Number of basis functions   89  
Conformations   1