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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 | -113.4319175 | -113.8236183 | 0.3917009 | 0.0000000 | 113.8236183 | ||||||
| cm-1 | 5086.6 | 5619.1 | -532.5 | ||||||||
| eV | -3086.639 | 0.631 | -3086.009 | -3097.298 | 0.697 | -3096.601 | 10.659 | -0.066 | 10.593 | 0.000 | 3097.298 |