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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

wB97X-D/TZVP

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -184.1903008     -184.6625174     0.4722166     0.0000000 184.6625174
cm-1   1915.9     2369.4     -453.5      
eV -5012.073 0.238 -5011.835 -5024.923 0.294 -5024.629 12.850 -0.056 12.793 0.000 5024.923
A scaling factor of 0.955 was used for the vibrational zero-point energy (VZPE).