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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

MP2/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 -129.8089911     -130.1807094     0.3717183     0.0000000 130.1807094
cm-1   4417.0     3017.1     1399.9      
eV -3532.282 0.548 -3531.735 -3542.397 0.374 -3542.023 10.115 0.174 10.289 0.000 3542.397
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).