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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

MP3=FULL/6-31G*

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -183.7177822     -184.1822306     0.4644484     0.0000000 184.1822306
cm-1   2354.6     2390.3     -35.8      
eV -4999.215 0.292 -4998.923 -5011.853 0.296 -5011.557 12.638 -0.004 12.634 0.000 5011.853
A scaling factor of 0.9383 was used for the vibrational zero-point energy (VZPE).