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Calculated Ionization Energy for CCl4 (Carbon tetrachloride)

20 09 09 14 00
Experimental Ionization Energy is 11.47 ± 0.01 eV
Please note! These calculated ionizataion energies have the vibrational zero-point energy (zpe) included, but the zpe has NOT been scaled. Click on an entry for more details, including the ionization energy with a scaled zpe.
Original data displayed. Press to display differences.
Differences displayed. Press to display original data.

Ionization Energies in eV
Methods with predefined basis sets

Ionization Energies in eV
Methods with standard basis sets
6-31G* 6-31+G**
density functional B3LYP   11.096
6-31G* 6-31+G**
Moller Plesset perturbation MP2 11.305  
6-31G* 6-31+G**
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.