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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

wB97X-D/cc-pVDZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -184.1258992     -184.6132940     0.4873948     0.0000000 184.6132940
cm-1   1927.9     2401.0     -473.1      
eV -5010.321 0.239 -5010.081 -5023.583 0.298 -5023.286 13.263 -0.059 13.204 0.000 5023.583
A scaling factor of 0.9526 was used for the vibrational zero-point energy (VZPE).