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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 | -99.8338050 | -100.4035366 | 0.5697316 | 0.0000000 | 100.4035366 | ||||||
| cm-1 | 1279.1 | 1798.5 | -519.4 | ||||||||
| eV | -2716.616 | 0.159 | -2716.457 | -2732.119 | 0.223 | -2731.896 | 15.503 | -0.064 | 15.439 | 0.000 | 2732.119 |