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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

QCISD/daug-cc-pVDZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.8244459     -130.1919198     0.3674740     0.0000000 130.1919198
cm-1   2972.9     3058.0     -85.0      
eV -3532.703 0.369 -3532.334 -3542.702 0.379 -3542.323 9.999 -0.011 9.989 0.000 3542.702
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).