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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

CCD/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 -341.6304167     -341.9777303     0.3473136     0.0000000 341.9777303
cm-1   2911.1     2870.0     41.1      
eV -9296.236 0.361 -9295.875 -9305.687 0.356 -9305.331 9.451 0.005 9.456 0.000 9305.687
A scaling factor of 0.9423 was used for the vibrational zero-point energy (VZPE).