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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 | -188.6924839 | -188.9885151 | 0.2960312 | 0.0000000 | 188.9885151 | ||||||
| cm-1 | 4530.2 | 4411.6 | 118.7 | ||||||||
| eV | -5134.584 | 0.562 | -5134.022 | -5142.639 | 0.547 | -5142.092 | 8.055 | 0.015 | 8.070 | 0.000 | 5142.639 |