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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

MP2/SDD

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -341.5137411     -341.8635846     0.3498435     0.0000000 341.8635846
cm-1   2775.9     2759.7     16.3      
eV -9293.062 0.344 -9292.717 -9302.581 0.342 -9302.239 9.520 0.002 9.522 0.000 9302.581
A scaling factor of 0.9653 was used for the vibrational zero-point energy (VZPE).