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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 | -77.5363214 | -77.8479863 | 0.3116649 | 0.0000000 | 77.8479863 | ||||||
| cm-1 | 7382.8 | 7714.8 | -332.0 | ||||||||
| eV | -2109.871 | 0.915 | -2108.955 | -2118.351 | 0.957 | -2117.395 | 8.481 | -0.041 | 8.440 | 0.000 | 2118.351 |