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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 | -629.4679547 | -629.7799236 | 0.3119689 | 0.0000000 | 629.7799236 | ||||||
| cm-1 | 244.6 | 430.5 | -185.9 | ||||||||
| eV | -17128.694 | 0.030 | -17128.664 | -17137.183 | 0.053 | -17137.130 | 8.489 | -0.023 | 8.466 | 0.000 | 17137.183 |