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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 | -395.8154358 | -396.1713635 | 0.3559278 | 0.0000000 | 396.1713635 | ||||||
| cm-1 | 1099.5 | 1143.1 | -43.7 | ||||||||
| eV | -10770.686 | 0.136 | -10770.549 | -10780.371 | 0.142 | -10780.229 | 9.685 | -0.005 | 9.680 | 0.000 | 10780.371 |