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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 | -2730.4580415 | -2730.8035630 | 0.3455215 | 0.0000000 | 2730.8035630 | ||||||
| cm-1 | 93.6 | 154.1 | -60.4 | ||||||||
| eV | -74299.542 | 0.012 | -74299.530 | -74308.944 | 0.019 | -74308.925 | 9.402 | -0.007 | 9.395 | 0.000 | 74308.944 |