| |
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 | -677.1052607 | -677.3098191 | 0.2045584 | 0.0000000 | 677.3098191 | ||||||
| cm-1 | 638.3 | 565.0 | 73.3 | ||||||||
| eV | -18424.971 | 0.079 | -18424.892 | -18430.537 | 0.070 | -18430.467 | 5.566 | 0.009 | 5.575 | 0.000 | 18430.537 |