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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 | -91.9793381 | -92.4419631 | 0.4626249 | 0.0000000 | 92.4419631 | ||||||
| cm-1 | 1094.5 | 1340.2 | -245.7 | ||||||||
| eV | -2502.885 | 0.136 | -2502.749 | -2515.474 | 0.166 | -2515.308 | 12.589 | -0.030 | 12.558 | 0.000 | 2515.474 |