![]() |
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 |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -398.4960223 | -398.7447405 | 0.2487182 | 0.0000000 | 398.7447405 | ||||||
cm-1 | 102.5 | 59.6 | 42.9 | ||||||||
eV | -10843.628 | 0.013 | -10843.616 | -10850.396 | 0.007 | -10850.389 | 6.768 | 0.005 | 6.773 | 0.000 | 10850.396 |