![]() |
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 | -0.6105247 | -1.1750552 | 0.5645305 | 0.0000000 | 1.1750552 | ||||||
cm-1 | 1032.5 | 2127.2 | -1094.7 | ||||||||
eV | -16.613 | 0.128 | -16.485 | -31.975 | 0.264 | -31.711 | 15.362 | -0.136 | 15.226 | 0.000 | 31.975 |