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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 | -1194.3202636 | -1194.6683693 | 0.3481057 | 0.0000000 | 1194.6683693 | ||||||
| cm-1 | 591.5 | 744.7 | -153.2 | ||||||||
| eV | -32499.107 | 0.073 | -32499.034 | -32508.580 | 0.092 | -32508.487 | 9.472 | -0.019 | 9.453 | 0.000 | 32508.580 |