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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 | -467.6493863 | -467.9426247 | 0.2932384 | 0.0000000 | 467.9426247 | ||||||
| cm-1 | 562.8 | 528.5 | 34.3 | ||||||||
| eV | -12725.387 | 0.070 | -12725.317 | -12733.366 | 0.066 | -12733.301 | 7.979 | 0.004 | 7.984 | 0.000 | 12733.366 |