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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 | -129.4970327 | -129.8556831 | 0.3586503 | 0.0000000 | 129.8556831 | ||||||
| cm-1 | 3002.5 | 3018.7 | -16.2 | ||||||||
| eV | -3523.793 | 0.372 | -3523.421 | -3533.553 | 0.374 | -3533.179 | 9.759 | -0.002 | 9.757 | 0.000 | 3533.553 |