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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 | -75.2463950 | -75.7201777 | 0.4737828 | 0.0000000 | 75.7201777 | ||||||
| cm-1 | 1468.9 | 1783.4 | -314.6 | ||||||||
| eV | -2047.559 | 0.182 | -2047.376 | -2060.451 | 0.221 | -2060.230 | 12.892 | -0.039 | 12.853 | 0.000 | 2060.451 |