| |
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 | -1416.5121788 | -1416.7945412 | 0.2823624 | 0.0000000 | 1416.7945412 | ||||||
| cm-1 | 1857.7 | 1586.4 | 271.2 | ||||||||
| eV | -38545.257 | 0.230 | -38545.026 | -38552.940 | 0.197 | -38552.743 | 7.683 | 0.034 | 7.717 | 0.000 | 38552.940 |