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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

ROHF/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 -129.4636261     -129.8138679     0.3502418     0.0000000 129.8138679
cm-1   3254.0     3483.8     -229.8      
eV -3522.884 0.403 -3522.481 -3532.415 0.432 -3531.983 9.531 -0.028 9.502 0.000 3532.415
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).