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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

HF/6-31G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -341.5114605     -341.8540664     0.3426059     0.0000000 341.8540664
cm-1   2936.7     2863.0     73.7      
eV -9292.999 0.364 -9292.635 -9302.322 0.355 -9301.967 9.323 0.009 9.332 0.000 9302.322
A scaling factor of 0.9026 was used for the vibrational zero-point energy (VZPE).