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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

MP2=FULL/cc-pVTZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.9312559     -130.2989298     0.3676739     0.0000000 130.2989298
cm-1   4215.0     2914.9     1300.1      
eV -3535.609 0.523 -3535.087 -3545.614 0.361 -3545.253 10.005 0.161 10.166 0.000 3545.614
A scaling factor of 0.9494 was used for the vibrational zero-point energy (VZPE).