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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 | -118.1062525 | -117.8058780 | -0.3003745 | 0.0000000 | 117.8058780 | ||||||
| cm-1 | 18831.5 | 17013.5 | 1818.0 | ||||||||
| eV | -3213.835 | 2.335 | -3211.500 | -3205.661 | 2.109 | -3203.552 | -8.174 | 0.225 | -7.948 | 0.000 | 3205.661 |