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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

MP2/CEP-121G

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -25.6736079     -26.0360741     0.3624662     0.0000000 26.0360741
cm-1   3470.4     2765.9     704.5      
eV -698.614 0.430 -698.184 -708.478 0.343 -708.135 9.863 0.087 9.951 0.000 708.478
A scaling factor of 0.976 was used for the vibrational zero-point energy (VZPE).