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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 | -2648.4641403 | -2648.8385635 | 0.3744232 | 0.0000000 | 2648.8385635 | ||||||
| cm-1 | 423.3 | 349.9 | 73.4 | ||||||||
| eV | -72068.374 | 0.052 | -72068.322 | -72078.563 | 0.043 | -72078.520 | 10.189 | 0.009 | 10.198 | 0.000 | 72078.563 |