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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 | -2579.0011485 | -2579.3352565 | 0.3341080 | 0.0000000 | 2579.3352565 | ||||||
| cm-1 | 136.9 | 267.2 | -130.3 | ||||||||
| eV | -70178.190 | 0.017 | -70178.173 | -70187.282 | 0.033 | -70187.249 | 9.092 | -0.016 | 9.075 | 0.000 | 70187.282 |