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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 | -117.7816434 | -117.4856785 | -0.2959649 | 0.0000000 | 117.4856785 | ||||||
| cm-1 | 18682.8 | 16801.6 | 1881.2 | ||||||||
| eV | -3205.002 | 2.316 | -3202.685 | -3196.948 | 2.083 | -3194.865 | -8.054 | 0.233 | -7.820 | 0.000 | 3196.948 |