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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 | -795.2068217 | -795.5339579 | 0.3271361 | 0.0000000 | 795.5339579 | ||||||
| cm-1 | 336.3 | 321.9 | 14.4 | ||||||||
| eV | -21638.678 | 0.042 | -21638.636 | -21647.580 | 0.040 | -21647.540 | 8.902 | 0.002 | 8.904 | 0.000 | 21647.580 |