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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| 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 | -388.0920730 | -388.3526574 | 0.2605844 | -388.0871534 | 0.2655040 | ||||||
| cm-1 | 487.9 | 394.3 | 93.6 | ||||||||
| eV | -10560.522 | 0.060 | -10560.462 | -10567.613 | 0.049 | -10567.564 | 7.091 | 0.012 | 7.102 | -10560.389 | 7.225 |