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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

B1B95/6-31+G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -130.0625911     -130.4344010     0.3718099     0.0000000 130.4344010
cm-1   2917.9     2998.6     -80.8      
eV -3539.183 0.362 -3538.821 -3549.301 0.372 -3548.929 10.117 -0.010 10.107 0.000 3549.301
A scaling factor of 0.9566 was used for the vibrational zero-point energy (VZPE).