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Calculated Ionization Energy for for CH2NH (Methanimine)

2009091408

M06-2X/6-311G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -94.2417572     -94.6070658     0.3653086     0.0000000 94.6070658
cm-1   7997.9     8865.2     -867.3      
eV -2564.449 0.992 -2563.457 -2574.389 1.099 -2573.290 9.941 -0.108 9.833 0.000 2574.389
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).