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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 | -290.9493041 | -291.2503739 | 0.3010698 | 0.0000000 | 291.2503739 | ||||||
| cm-1 | 4723.2 | 4513.7 | 209.5 | ||||||||
| eV | -7917.133 | 0.586 | -7916.548 | -7925.326 | 0.560 | -7924.766 | 8.193 | 0.026 | 8.218 | 0.000 | 7925.326 |