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

All data (experiment and calculated) in the CCCBDB for Cl2O (Dichlorine monoxide)

Other names
Chlorine monooxide; Chlorine monoxide; Chlorine monoxide (Cl2O); Chlorine oxide; Chlorine oxide (Cl2O); Chlorine(I) oxide; Dichlorine monoxide; Dichloromonoxide; Dichloroxide; Hypochlorous anhydride;
INChI
InChI=1/Cl2O/c1-3-2

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 x    
Energy 0K   264  
Energy 298.15K   229  
Atomization Enthalpy 298.15K x222x
Atomization Enthalpy 0K x228x
Entropy (298.15K) entropy x210x
Entropy at any temperature   210  
Integrated Heat Capacity integrated heat capacity x210x
Heat Capacity (Cp) Heat capacity x210x
Nuclear Repulsion Energy   227  
HOMO-LUMO Energies HOMO energies   218  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x198  
Internal Coordinates bond lengths bond angles x198x
Products of moments of inertia moments of inertia x206x
Rotational Constants rotational constants x211x
Point Group  212 
Vibrations Vibrational Frequencies vibrations x207x
Vibrational Intensities  199 
Zero-point energies x207x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   169  
Dipole dipole  162 
Quadrupole quadrupole  155 
Polarizability polarizability  143 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1