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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

ROMP2/cc-pVDZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.8030399     -130.1479844     0.3449444     0.0000000 130.1479844
cm-1   3600.0     3021.3     578.7      
eV -3532.120 0.446 -3531.674 -3541.507 0.375 -3541.132 9.386 0.072 9.458 0.000 3541.507
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).