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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 | -113.9773743 | -114.3035105 | 0.3261363 | 0.0000000 | 114.3035105 | ||||||
| cm-1 | 677.6 | 598.1 | 79.5 | ||||||||
| eV | -3101.482 | 0.084 | -3101.398 | -3110.357 | 0.074 | -3110.283 | 8.875 | 0.010 | 8.884 | 0.000 | 3110.357 |