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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

MP2/Def2TZVPP

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -183.8889506     -184.3990881     0.5101376     0.0000000 184.3990881
cm-1   2449.6     2244.9     204.8      
eV -5003.873 0.304 -5003.569 -5017.754 0.278 -5017.476 13.882 0.025 13.907 0.000 5017.754
A scaling factor of 0.9515 was used for the vibrational zero-point energy (VZPE).