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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

MP4/6-31G*

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.7815287     -130.1480970     0.3665682     0.0000000 130.1480970
cm-1   3469.5     2821.9     647.6      
eV -3531.535 0.430 -3531.105 -3541.510 0.350 -3541.160 9.975 0.080 10.055 0.000 3541.510
A scaling factor of 0.9548 was used for the vibrational zero-point energy (VZPE).