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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 | -152.8864153 | -153.1557756 | 0.2693603 | 0.0000000 | 153.1557756 | ||||||
| cm-1 | 9433.5 | 9128.6 | 304.9 | ||||||||
| eV | -4160.251 | 1.170 | -4159.081 | -4167.581 | 1.132 | -4166.449 | 7.330 | 0.038 | 7.367 | 0.000 | 4167.581 |