| |
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 | -290.9379067 | -291.2413551 | 0.3034483 | 0.0000000 | 291.2413551 | ||||||
| cm-1 | 4642.1 | 4453.7 | 188.4 | ||||||||
| eV | -7916.823 | 0.576 | -7916.248 | -7925.080 | 0.552 | -7924.528 | 8.257 | 0.023 | 8.281 | 0.000 | 7925.080 |