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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

MP4/6-31G*

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -341.6121257     -341.9591812     0.3470555     0.0000000 341.9591812
cm-1   2919.1     2857.5     61.7      
eV -9295.739 0.362 -9295.377 -9305.183 0.354 -9304.828 9.444 0.008 9.452 0.000 9305.183
A scaling factor of 0.9548 was used for the vibrational zero-point energy (VZPE).