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Calculated Ionization Energy for for PH2 (Phosphino radical)

2009091408

G4

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -342.0078380     -342.3685160     0.3606780     0.0000000 342.3685160
cm-1   2948.0     2935.0     12.9      
eV -9306.507 0.366 -9306.141 -9316.321 0.364 -9315.957 9.815 0.002 9.816 0.000 9316.321
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).