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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

CID/Def2TZVPP

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.8799888     -130.2457256     0.3657368     0.0000000 130.2457256
cm-1   3742.9     3270.0     472.9      
eV -3534.214 0.464 -3533.750 -3544.166 0.405 -3543.761 9.952 0.059 10.011 0.000 3544.166
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).