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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 | -129.8250681 | -130.1932985 | 0.3682305 | 0.0000000 | 130.1932985 | ||||||
| cm-1 | 3012.2 | 3084.3 | -72.1 | ||||||||
| eV | -3532.720 | 0.373 | -3532.346 | -3542.740 | 0.382 | -3542.357 | 10.020 | -0.009 | 10.011 | 0.000 | 3542.740 |