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 (Sodium Potassium)

2009091E

HF/CEP-31G

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -0.1973452     -0.3218450     0.1244998     0.0000000 0.3218450
cm-1   35.9     51.8     -15.9      
eV -5.370 0.004 -5.366 -8.758 0.006 -8.751 3.388 -0.002 3.386 0.000 8.758
A scaling factor of 0.9014 was used for the vibrational zero-point energy (VZPE).