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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 | -702.4099817 | -702.7507818 | 0.3408001 | 0.0000000 | 702.7507818 | ||||||
| cm-1 | 275.5 | 219.1 | 56.4 | ||||||||
| eV | -19113.548 | 0.034 | -19113.513 | -19122.821 | 0.027 | -19122.794 | 9.274 | 0.007 | 9.281 | 0.000 | 19122.821 |