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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 | -55.8644560 | -56.2540746 | 0.3896186 | 0.0000000 | 56.2540746 | ||||||
| cm-1 | 6885.6 | 7272.7 | -387.1 | ||||||||
| eV | -1520.149 | 0.854 | -1519.295 | -1530.751 | 0.902 | -1529.850 | 10.602 | -0.048 | 10.554 | 0.000 | 1530.751 |