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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 | -621.2380246 | -621.5460993 | 0.3080747 | 0.0000000 | 621.5460993 | ||||||
| cm-1 | 75.9 | 174.4 | -98.5 | ||||||||
| eV | -16904.746 | 0.009 | -16904.737 | -16913.129 | 0.022 | -16913.108 | 8.383 | -0.012 | 8.371 | 0.000 | 16913.129 |