Sorry. I lost your molecule. Please back up and try again.Sorry, I lost your molecule, please back up and select it again.
return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy

Calculated Ionization Energy for for (Nitrosyl hydride anion)

2009091E

MP2/daug-cc-pVTZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.9117829     -130.2854327     0.3736498     0.0000000 130.2854327
cm-1   4448.6     3042.4     1406.1      
eV -3535.079 0.552 -3534.528 -3545.247 0.377 -3544.870 10.168 0.174 10.342 0.000 3545.247
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).