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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 | -460.1217228 | -460.5864439 | 0.4647212 | 0.0000000 | 460.5864439 | ||||||
| cm-1 | 1288.2 | 1418.1 | -129.9 | ||||||||
| eV | -12520.549 | 0.160 | -12520.389 | -12533.195 | 0.176 | -12533.019 | 12.646 | -0.016 | 12.630 | 0.000 | 12533.195 |