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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

MP4/cc-pVTZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.9305947     -130.3025200     0.3719253     0.0000000 130.3025200
cm-1   3666.8     2881.3     785.6      
eV -3535.591 0.455 -3535.137 -3545.712 0.357 -3545.355 10.121 0.097 10.218 0.000 3545.712
A scaling factor of 0.9692 was used for the vibrational zero-point energy (VZPE).