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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 | -497.3117027 | -497.6851524 | 0.3734498 | 0.0000000 | 497.6851524 | ||||||
| cm-1 | 466.0 | 387.7 | 78.3 | ||||||||
| eV | -13532.540 | 0.058 | -13532.482 | -13542.702 | 0.048 | -13542.654 | 10.162 | 0.010 | 10.172 | 0.000 | 13542.702 |