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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 | -5148.6131281 | -5148.9981537 | 0.3850257 | 0.0000000 | 5148.9981537 | ||||||
| cm-1 | 179.6 | 156.9 | 22.7 | ||||||||
| eV | -140100.888 | 0.022 | -140100.866 | -140111.365 | 0.019 | -140111.346 | 10.477 | 0.003 | 10.480 | 0.000 | 140111.365 |