![]() |
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 | -5145.0979368 | -5145.4837369 | 0.3858001 | 0.0000000 | 5145.4837369 | ||||||
cm-1 | 176.9 | 156.7 | 20.2 | ||||||||
eV | -140005.235 | 0.022 | -140005.213 | -140015.733 | 0.019 | -140015.714 | 10.498 | 0.003 | 10.501 | 0.000 | 140015.733 |