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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 | -16.5629992 | -16.8516515 | 0.2886524 | 0.0000000 | 16.8516515 | ||||||
| cm-1 | 210.5 | 161.6 | 48.9 | ||||||||
| eV | -450.702 | 0.026 | -450.676 | -458.557 | 0.020 | -458.537 | 7.855 | 0.006 | 7.861 | 0.000 | 458.557 |