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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 | -2400.1739170 | -2400.5249718 | 0.3510548 | 0.0000000 | 2400.5249718 | ||||||
| cm-1 | 1178.3 | 1227.0 | -48.7 | ||||||||
| eV | -65312.054 | 0.146 | -65311.908 | -65321.606 | 0.152 | -65321.454 | 9.553 | -0.006 | 9.547 | 0.000 | 65321.606 |