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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 | -189.2317998 | -189.5853149 | 0.3535151 | 0.0000000 | 189.5853149 | ||||||
| cm-1 | 6614.0 | 6631.8 | -17.9 | ||||||||
| eV | -5149.259 | 0.820 | -5148.439 | -5158.879 | 0.822 | -5158.057 | 9.620 | -0.002 | 9.617 | 0.000 | 5158.879 |