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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

B97D3/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 -130.0573383     -130.4280091     0.3706708     0.0000000 130.4280091
cm-1   2887.6     2888.5     -0.9      
eV -3539.040 0.358 -3538.682 -3549.127 0.358 -3548.768 10.086 -0.000 10.086 0.000 3549.127
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).