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

All data (experiment and calculated) in the CCCBDB for CCl2 (dichloromethylene)

INChI
InChI=1/CCl2/c2-1-3

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   275  
Energy 298.15K   262  
Atomization Enthalpy 298.15K x247x
Atomization Enthalpy 0K x251x
Entropy (298.15K) entropy x243x
Entropy at any temperature   243  
Integrated Heat Capacity integrated heat capacity x243x
Heat Capacity (Cp) Heat capacity x243x
Nuclear Repulsion Energy   211  
HOMO-LUMO Energies HOMO energies   202  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x203  
Internal Coordinates bond lengths bond angles x203x
Products of moments of inertia moments of inertia x207x
Rotational Constants rotational constants x212x
Point Group  212 
Vibrations Vibrational Frequencies vibrations x210x
Vibrational Intensities  202 
Zero-point energies x210x
Vibrational scaling factors x
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   144  
Dipole dipole  150 
Quadrupole quadrupole  146 
Polarizability polarizability  88 
Other results Spin   11  
Number of basis functions   32  
Diagnostics   5  
Conformations   1