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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 | -153.8114418 | -154.2496808 | 0.4382389 | 0.0000000 | 154.2496808 | ||||||
| cm-1 | 730.5 | 1131.5 | -400.9 | ||||||||
| eV | -4185.422 | 0.091 | -4185.332 | -4197.347 | 0.140 | -4197.207 | 11.925 | -0.050 | 11.875 | 0.000 | 4197.347 |