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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 | -113.5187252 | -113.9338053 | 0.4150800 | 0.0000000 | 113.9338053 | ||||||
| cm-1 | 4890.8 | 5565.6 | -674.8 | ||||||||
| eV | -3089.002 | 0.606 | -3088.395 | -3100.297 | 0.690 | -3099.606 | 11.295 | -0.084 | 11.211 | 0.000 | 3100.297 |