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

All data (experiment and calculated) in the CCCBDB for CCl3- (Trichloromethyl anion)

INChI
InChI=1S/CCl3/c2-1(3)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   246  
Energy 298.15K   8  
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   241  
HOMO-LUMO Energies HOMO energies   241  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  241  
Internal Coordinates bond lengths bond angles  241 
Products of moments of inertia moments of inertia  236 
Rotational Constants rotational constants  241 
Point Group  242 
Vibrations Vibrational Frequencies vibrations  241 
Vibrational Intensities  219 
Zero-point energies  241 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   147  
Dipole dipole  152 
Quadrupole quadrupole  152 
Polarizability polarizability  137 
Other results Spin   11  
Number of basis functions   31  
Diagnostics   0  
Conformations   1