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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 | -1404.6050297 | -1405.0037861 | 0.3987564 | 0.0000000 | 1405.0037861 | ||||||
| cm-1 | 1442.0 | 1611.6 | -169.6 | ||||||||
| eV | -38221.247 | 0.179 | -38221.068 | -38232.097 | 0.200 | -38231.898 | 10.851 | -0.021 | 10.830 | 0.000 | 38232.097 |