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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 | -310.5293217 | -310.9940874 | 0.4647657 | 0.0000000 | 310.9940874 | ||||||
| cm-1 | 2832.1 | 3018.4 | -186.3 | ||||||||
| eV | -8449.933 | 0.351 | -8449.581 | -8462.579 | 0.374 | -8462.205 | 12.647 | -0.023 | 12.624 | 0.000 | 8462.579 |