return to home page

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

All data (experiment and calculated) in the CCCBDB for ClO- (chlorine monoxide anion)

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   231  
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   226  
HOMO-LUMO Energies HOMO energies   226  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  226  
Internal Coordinates bond lengths bond angles  226 
Products of moments of inertia moments of inertia  217 
Rotational Constants rotational constants  225 
Point Group  227 
Vibrations Vibrational Frequencies vibrations  225 
Vibrational Intensities  209 
Zero-point energies  225 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   119  
Dipole dipole  131 
Quadrupole quadrupole  129 
Polarizability polarizability  133 
Other results Spin   11  
Number of basis functions   36  
Diagnostics   1  
Conformations   1