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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   247  
Energy 298.15K   228  
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   210  
HOMO-LUMO Energies HOMO energies   200  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x182  
Internal Coordinates bond lengths bond angles x182x
Products of moments of inertia moments of inertia x190x
Rotational Constants rotational constants x194x
Point Group  195 
Vibrations Vibrational Frequencies vibrations x192x
Vibrational Intensities  184 
Zero-point energies x192x
Vibrational scaling factors x
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   159  
Dipole dipole  151 
Quadrupole quadrupole  146 
Polarizability polarizability  133 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   5  
Conformations   1