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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 | -830.2562073 | -830.6256054 | 0.3693981 | 0.0000000 | 830.6256054 | ||||||
| cm-1 | 1317.4 | 1507.1 | -189.6 | ||||||||
| eV | -22592.420 | 0.163 | -22592.257 | -22602.472 | 0.187 | -22602.285 | 10.052 | -0.024 | 10.028 | 0.000 | 22602.472 |