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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 | -2535.0205271 | -2535.2957224 | 0.2751953 | 0.0000000 | 2535.2957224 | ||||||
| cm-1 | 237.6 | 184.4 | 53.2 | ||||||||
| eV | -68981.417 | 0.029 | -68981.387 | -68988.905 | 0.023 | -68988.882 | 7.488 | 0.007 | 7.495 | 0.000 | 68988.905 |