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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

MP2=FULL/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 -341.6165104     -341.9668664     0.3503560     0.0000000 341.9668664
cm-1   2969.3     2925.3     44.0      
eV -9295.858 0.368 -9295.490 -9305.392 0.363 -9305.029 9.534 0.005 9.539 0.000 9305.392
A scaling factor of 0.9392 was used for the vibrational zero-point energy (VZPE).