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Calculated Ionization Energy for for N2O (Nitrous oxide)

2009091408

B97D3/6-31+G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -184.1010639     -184.5733559     0.4722920     0.0000000 184.5733559
cm-1   1944.5     2338.6     -394.1      
eV -5009.645 0.241 -5009.404 -5022.496 0.290 -5022.206 12.852 -0.049 12.803 0.000 5022.496
A scaling factor of 0.9828 was used for the vibrational zero-point energy (VZPE).