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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 | -2139.6428633 | -2140.0043467 | 0.3614834 | 0.0000000 | 2140.0043467 | ||||||
| cm-1 | 429.3 | 456.7 | -27.4 | ||||||||
| eV | -58222.643 | 0.053 | -58222.590 | -58232.480 | 0.057 | -58232.423 | 9.836 | -0.003 | 9.833 | 0.000 | 58232.480 |