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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 | -335.9515441 | -336.2725286 | 0.3209845 | 0.0000000 | 336.2725286 | ||||||
| cm-1 | 3179.7 | 2687.2 | 492.5 | ||||||||
| eV | -9141.706 | 0.394 | -9141.312 | -9150.441 | 0.333 | -9150.108 | 8.734 | 0.061 | 8.795 | 0.000 | 9150.441 |