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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 | -237.9279641 | -238.2336417 | 0.3056776 | 0.0000000 | 238.2336417 | ||||||
| cm-1 | 4519.9 | 4119.1 | 400.8 | ||||||||
| eV | -6474.349 | 0.560 | -6473.789 | -6482.667 | 0.511 | -6482.156 | 8.318 | 0.050 | 8.368 | 0.000 | 6482.667 |