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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 | -115.3101038 | -115.7008017 | 0.3906979 | 0.0000000 | 115.7008017 | ||||||
| cm-1 | 9993.7 | 10826.2 | -832.6 | ||||||||
| eV | -3137.747 | 1.239 | -3136.508 | -3148.379 | 1.342 | -3147.037 | 10.631 | -0.103 | 10.528 | 0.000 | 3148.379 |