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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 | -342.1738282 | -342.4882419 | 0.3144138 | 0.0000000 | 342.4882419 | ||||||
| cm-1 | 5017.4 | 5045.9 | -28.6 | ||||||||
| eV | -9311.023 | 0.622 | -9310.401 | -9319.579 | 0.626 | -9318.953 | 8.556 | -0.004 | 8.552 | 0.000 | 9319.579 |