| |
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 | -118.0331861 | -117.7290630 | -0.3041231 | 0.0000000 | 117.7290630 | ||||||
| cm-1 | 18636.3 | 16838.2 | 1798.1 | ||||||||
| eV | -3211.846 | 2.311 | -3209.536 | -3203.571 | 2.088 | -3201.483 | -8.276 | 0.223 | -8.053 | 0.000 | 3203.571 |