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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 | -386.2052450 | -386.4532045 | 0.2479596 | 0.0000000 | 386.4532045 | ||||||
| cm-1 | 486.6 | 424.0 | 62.7 | ||||||||
| eV | -10509.179 | 0.060 | -10509.119 | -10515.926 | 0.053 | -10515.874 | 6.747 | 0.008 | 6.755 | 0.000 | 10515.926 |