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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 | -738.2213756 | -738.4988605 | 0.2774849 | 0.0000000 | 738.4988605 | ||||||
| cm-1 | 369.1 | 439.2 | -70.0 | ||||||||
| eV | -20088.025 | 0.046 | -20087.979 | -20095.576 | 0.054 | -20095.522 | 7.551 | -0.009 | 7.542 | 0.000 | 20095.576 |