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

All data (experiment and calculated) in the CCCBDB for C2Cl2+ (dichloroacetylene cation)

INChI
InChI=1S/C2Cl2/c3-1-2-4/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   256  
Energy 298.15K   10  
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   253  
HOMO-LUMO Energies HOMO energies   252  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  251  
Internal Coordinates bond lengths bond angles  251 
Products of moments of inertia moments of inertia  245 
Rotational Constants rotational constants  252 
Point Group  254 
Vibrations Vibrational Frequencies vibrations x252x
Vibrational Intensities  226 
Zero-point energies x252x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   142  
Dipole dipole  146 
Quadrupole quadrupole  146 
Polarizability polarizability  131 
Other results Spin   239  
Number of basis functions   32  
Diagnostics   0  
Conformations   1