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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 | -99.2787010 | -99.7536688 | 0.4749678 | 0.0000000 | 99.7536688 | ||||||
| cm-1 | 900.9 | 936.5 | -35.6 | ||||||||
| eV | -2701.511 | 0.112 | -2701.399 | -2714.435 | 0.116 | -2714.319 | 12.925 | -0.004 | 12.920 | 0.000 | 2714.435 |