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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

B1B95/daug-cc-pVTZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -130.1132427     -130.4807277     0.3674850     0.0000000 130.4807277
cm-1   3016.2     3103.6     -87.4      
eV -3540.561 0.374 -3540.187 -3550.561 0.385 -3550.176 10.000 -0.011 9.989 0.000 3550.561
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).