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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 | -290.8367622 | -291.1317014 | 0.2949392 | 0.0000000 | 291.1317014 | ||||||
| cm-1 | 4703.4 | 4514.6 | 188.7 | ||||||||
| eV | -7914.071 | 0.583 | -7913.488 | -7922.096 | 0.560 | -7921.537 | 8.026 | 0.023 | 8.049 | 0.000 | 7922.096 |