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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 | -483.8178404 | -484.1424155 | 0.3245751 | 0.0000000 | 484.1424155 | ||||||
| cm-1 | 538.1 | 388.1 | 150.0 | ||||||||
| eV | -13165.353 | 0.067 | -13165.286 | -13174.185 | 0.048 | -13174.137 | 8.832 | 0.019 | 8.851 | 0.000 | 13174.185 |