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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 | -0.6022458 | -1.1329939 | 0.5307481 | 0.0000000 | 1.1329939 | ||||||
| cm-1 | 1058.3 | 2079.3 | -1021.0 | ||||||||
| eV | -16.388 | 0.131 | -16.257 | -30.830 | 0.258 | -30.573 | 14.442 | -0.127 | 14.316 | 0.000 | 30.830 |