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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 | -1924.8475693 | -1925.1558243 | 0.3082550 | 0.0000000 | 1925.1558243 | ||||||
| cm-1 | 596.9 | 750.8 | -153.9 | ||||||||
| eV | -52377.766 | 0.074 | -52377.692 | -52386.154 | 0.093 | -52386.061 | 8.388 | -0.019 | 8.369 | 0.000 | 52386.154 |