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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

HF/6-31G*

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -183.2708212     -183.6801217     0.4093005     -183.2679293 0.4121923
cm-1   1848.1     2428.0     -579.9      
eV -4987.053 0.229 -4986.824 -4998.190 0.301 -4997.889 11.138 -0.072 11.066 -4986.974 11.216
A scaling factor of 0.8985 was used for the vibrational zero-point energy (VZPE).