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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

QCISD(T)=FULL/cc-pVQZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -130.0273359     -130.3990256     0.3716898     0.0000000 130.3990256
cm-1   3019.4     3059.9     -40.5      
eV -3538.224 0.374 -3537.849 -3548.338 0.379 -3547.959 10.114 -0.005 10.109 0.000 3548.338
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).