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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 | -396.3954654 | -396.7819510 | 0.3864856 | 0.0000000 | 396.7819510 | ||||||
| cm-1 | 1097.9 | 1175.1 | -77.2 | ||||||||
| eV | -10786.469 | 0.136 | -10786.333 | -10796.986 | 0.146 | -10796.840 | 10.517 | -0.010 | 10.507 | 0.000 | 10796.986 |