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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

MP2/6-31G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -341.6035479     -341.9534857     0.3499378     0.0000000 341.9534857
cm-1   2957.6     2910.9     46.7      
eV -9295.505 0.367 -9295.139 -9305.028 0.361 -9304.667 9.522 0.006 9.528 0.000 9305.028
A scaling factor of 0.9365 was used for the vibrational zero-point energy (VZPE).