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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

MP2/TZVP

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -183.7985968     -184.2994807     0.5008839     0.0000000 184.2994807
cm-1   2454.0     2178.0     275.9      
eV -5001.414 0.304 -5001.110 -5015.044 0.270 -5014.774 13.630 0.034 13.664 0.000 5015.044
A scaling factor of 0.9479 was used for the vibrational zero-point energy (VZPE).