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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 | -49.0712090 | -49.4055868 | 0.3343778 | 0.0000000 | 49.4055868 | ||||||
| cm-1 | 178.4 | 493.4 | -315.0 | ||||||||
| eV | -1335.296 | 0.022 | -1335.273 | -1344.394 | 0.061 | -1344.333 | 9.099 | -0.039 | 9.060 | 0.000 | 1344.394 |