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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 | -152.0592985 | -152.2979772 | 0.2386787 | -151.9961019 | 0.3018753 | ||||||
| cm-1 | 9502.4 | 9178.5 | 323.9 | ||||||||
| eV | -4137.744 | 1.178 | -4136.566 | -4144.239 | 1.138 | -4143.101 | 6.495 | 0.040 | 6.535 | -4136.024 | 8.214 |