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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 | -150.1931142 | -150.6021498 | 0.4090357 | 0.0000000 | 150.6021498 | ||||||
| cm-1 | 2807.3 | 3021.4 | -214.1 | ||||||||
| eV | -4086.962 | 0.348 | -4086.614 | -4098.093 | 0.375 | -4097.718 | 11.130 | -0.027 | 11.104 | 0.000 | 4098.093 |