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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

MP4/cc-pVTZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -183.9318170     -184.4269151     0.4950980     0.0000000 184.4269151
cm-1   2401.3     2199.9     201.4      
eV -5005.039 0.298 -5004.742 -5018.512 0.273 -5018.239 13.472 0.025 13.497 0.000 5018.512
A scaling factor of 0.9692 was used for the vibrational zero-point energy (VZPE).