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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

ROMP2/6-311G*

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.8369803     -130.1841780     0.3471978     0.0000000 130.1841780
cm-1   3627.6     3089.9     537.8      
eV -3533.044 0.450 -3532.594 -3542.492 0.383 -3542.109 9.448 0.067 9.514 0.000 3542.492
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).