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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 | -113.9054032 | -114.3011895 | 0.3957863 | 0.0000000 | 114.3011895 | ||||||
| cm-1 | 5179.4 | 5603.8 | -424.3 | ||||||||
| eV | -3099.524 | 0.642 | -3098.881 | -3110.294 | 0.695 | -3109.599 | 10.770 | -0.053 | 10.717 | 0.000 | 3110.294 |