| |
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 | -1916.1343106 | -1916.4393481 | 0.3050375 | 0.0000000 | 1916.4393481 | ||||||
| cm-1 | 563.8 | 750.3 | -186.5 | ||||||||
| eV | -52140.666 | 0.070 | -52140.596 | -52148.967 | 0.093 | -52148.874 | 8.300 | -0.023 | 8.277 | 0.000 | 52148.967 |