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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 | -55.4773737 | -55.8842580 | 0.4068843 | 0.0000000 | 55.8842580 | ||||||
| cm-1 | 3565.2 | 4004.3 | -439.1 | ||||||||
| eV | -1509.616 | 0.442 | -1509.174 | -1520.688 | 0.496 | -1520.192 | 11.072 | -0.054 | 11.017 | 0.000 | 1520.688 |