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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 | -261.8689635 | -262.2330762 | 0.3641127 | 0.0000000 | 262.2330762 | ||||||
| cm-1 | 75.7 | 259.2 | -183.5 | ||||||||
| eV | -7125.817 | 0.009 | -7125.808 | -7135.725 | 0.032 | -7135.693 | 9.908 | -0.023 | 9.885 | 0.000 | 7135.725 |