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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

HF/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 -341.5118314     -341.8548232     0.3429918     0.0000000 341.8548232
cm-1   2933.8     2866.9     66.8      
eV -9293.010 0.364 -9292.646 -9302.343 0.355 -9301.987 9.333 0.008 9.342 0.000 9302.343
A scaling factor of 0.9042 was used for the vibrational zero-point energy (VZPE).