return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for CCl4+ (Carbon tetrachloride cation)

1907021335
INChI
InChI=1S/CCl4/c2-1(3,4)5/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   26  
Energy 298.15K   2  
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   26  
HOMO-LUMO Energies HOMO energies   15  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  25  
Internal Coordinates bond lengths bond angles  25 
Products of moments of inertia moments of inertia  15 
Rotational Constants rotational constants  15 
Point Group  28 
Vibrations Vibrational Frequencies vibrations  14 
Vibrational Intensities  14 
Zero-point energies  14 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   9  
Electronic States Electronic states x 0  
Electrostatics Atom charges   23  
Dipole dipole  15 
Quadrupole quadrupole  13 
Polarizability polarizability  14 
Other results Spin   26  
Number of basis functions   35  
Conformations   2 x