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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

HF/CEP-31G

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -7.0947770     -7.4465113     0.3517344     0.0000000 7.4465113
cm-1   2705.3     2672.8     32.5      
eV -193.059 0.335 -192.723 -202.630 0.331 -202.298 9.571 0.004 9.575 0.000 202.630
A scaling factor of 0.9014 was used for the vibrational zero-point energy (VZPE).