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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 | -471.6205273 | -471.9411664 | 0.3206391 | 0.0000000 | 471.9411664 | ||||||
| cm-1 | 454.1 | 379.4 | 74.7 | ||||||||
| eV | -12833.447 | 0.056 | -12833.391 | -12842.172 | 0.047 | -12842.125 | 8.725 | 0.009 | 8.734 | 0.000 | 12842.172 |