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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

B97D3/3-21G

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -183.0496220     -183.5131442     0.4635222     0.0000000 183.5131442
cm-1   1649.9     2076.5     -426.5      
eV -4981.034 0.205 -4980.829 -4993.647 0.257 -4993.389 12.613 -0.053 12.560 0.000 4993.647
A scaling factor of 0.983 was used for the vibrational zero-point energy (VZPE).