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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

CCSD(T)=FULL/Def2TZVPP

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.9717427     -130.3413632     0.3696205     0.0000000 130.3413632
cm-1   3023.1     3037.3     -14.1      
eV -3536.711 0.375 -3536.336 -3546.769 0.377 -3546.392 10.058 -0.002 10.056 0.000 3546.769
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).