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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

G4

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -130.0599140     -130.4350660     0.3751520     0.0000000 130.4350660
cm-1   2978.6     3029.7     -51.1      
eV -3539.110 0.369 -3538.741 -3549.319 0.376 -3548.943 10.208 -0.006 10.202 0.000 3549.319
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).