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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

MP2/6-31G*

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -183.7015237     -184.2041389     0.5026152     -183.6915305 0.5126084
cm-1   2539.9     2209.1     330.9      
eV -4998.773 0.315 -4998.458 -5012.450 0.274 -5012.176 13.677 0.041 13.718 -4998.501 13.949
A scaling factor of 0.943 was used for the vibrational zero-point energy (VZPE).