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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 | -397.8756774 | -398.2350596 | 0.3593823 | 0.0000000 | 398.2350596 | ||||||
| cm-1 | 1258.9 | 1318.8 | -59.9 | ||||||||
| eV | -10826.748 | 0.156 | -10826.592 | -10836.527 | 0.164 | -10836.364 | 9.779 | -0.007 | 9.772 | 0.000 | 10836.527 |