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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

MP3=FULL/6-31+G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -183.7243532     -184.1919521     0.4675990     0.0000000 184.1919521
cm-1   2328.9     2329.9     -1.0      
eV -4999.394 0.289 -4999.105 -5012.118 0.289 -5011.829 12.724 -0.000 12.724 0.000 5012.118
A scaling factor of 0.9316 was used for the vibrational zero-point energy (VZPE).