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

All data (experiment and calculated) in the CCCBDB for CH2Cl (chloromethyl radical)

INChI
InChI=1S/CH2Cl/c1-2/h1H2

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   530  
Energy 298.15K   14  
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   528  
HOMO-LUMO Energies HOMO energies   526  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  526  
Internal Coordinates bond lengths bond angles x526x
Products of moments of inertia moments of inertia x502x
Rotational Constants rotational constants x512x
Point Group  528 
Vibrations Vibrational Frequencies vibrations x512x
Vibrational Intensities  453 
Zero-point energies  512 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   295  
Dipole dipole  295 
Quadrupole quadrupole  295 
Polarizability polarizability  264 
Other results Spin   525  
Number of basis functions   30  
Diagnostics   0  
Conformations   2 x