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. 2014 Dec 22;11(2):518–527. doi: 10.1021/ct5008586

Table 2. Errors in Atomization Energies (AE), Ionization Potentials (IP), Electron Affinities (EA), and Proton Affinities (PA) Relative to No RI Approximation for a Subset of the G3-05 Test Seta.

  AE IP EA PA
mean absolute error 0.03 0.0026 0.052 0.01
mean signed error –0.03 0.0004 –0.052 –0.009
max error 0.22 0.0108 0.17 0.09
a

All data is in kilocalories per mole.