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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 | -92.9411409 | -93.4306762 | 0.4895353 | 0.0000000 | 93.4306762 | ||||||
| cm-1 | 3015.0 | 3443.0 | -428.0 | ||||||||
| eV | -2529.057 | 0.374 | -2528.683 | -2542.378 | 0.427 | -2541.951 | 13.321 | -0.053 | 13.268 | 0.000 | 2542.378 |