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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 | -113.5430455 | -113.8491059 | 0.3060604 | 0.0000000 | 113.8491059 | ||||||
| cm-1 | 3474.4 | 2750.8 | 723.5 | ||||||||
| eV | -3089.663 | 0.431 | -3089.233 | -3097.992 | 0.341 | -3097.651 | 8.328 | 0.090 | 8.418 | 0.000 | 3097.992 |