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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

MP2/6-311G*

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -341.6092293     -341.9582203     0.3489910     0.0000000 341.9582203
cm-1   2921.4     2867.8     53.6      
eV -9295.660 0.362 -9295.298 -9305.156 0.356 -9304.801 9.497 0.007 9.503 0.000 9305.156
A scaling factor of 0.9503 was used for the vibrational zero-point energy (VZPE).