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

All data (experiment and calculated) in the CCCBDB for CF2+ (Difluoromethylene cation)

INChI
InChI=1S/CF2/c2-1-3/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   263  
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   258  
HOMO-LUMO Energies HOMO energies   258  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  257  
Internal Coordinates bond lengths bond angles  257 
Products of moments of inertia moments of inertia  251 
Rotational Constants rotational constants  258 
Point Group  259 
Vibrations Vibrational Frequencies vibrations  275 
Vibrational Intensities  241 
Zero-point energies  275 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   146  
Dipole dipole  151 
Quadrupole quadrupole  151 
Polarizability polarizability  136 
Other results Spin   256  
Number of basis functions   35  
Diagnostics   1  
Conformations   1