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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

ROHF/aug-cc-pVDZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.4627448     -129.8133672     0.3506224     0.0000000 129.8133672
cm-1   3252.4     3483.5     -231.1      
eV -3522.860 0.403 -3522.457 -3532.401 0.432 -3531.969 9.541 -0.029 9.512 0.000 3532.401
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).