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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 | -153.4564168 | -153.8249455 | 0.3685287 | 0.0000000 | 153.8249455 | ||||||
| cm-1 | 11235.9 | 11717.3 | -481.5 | ||||||||
| eV | -4175.761 | 1.393 | -4174.368 | -4185.790 | 1.453 | -4184.337 | 10.028 | -0.060 | 9.968 | 0.000 | 4185.790 |