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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 | -559.4328431 | -559.9032025 | 0.4703594 | 0.0000000 | 559.9032025 | ||||||
| cm-1 | 480.9 | 421.2 | 59.7 | ||||||||
| eV | -15222.942 | 0.060 | -15222.882 | -15235.741 | 0.052 | -15235.689 | 12.799 | 0.007 | 12.807 | 0.000 | 15235.741 |