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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 | -17.8676932 | -18.3630810 | 0.4953878 | 0.0000000 | 18.3630810 | ||||||
| cm-1 | 978.9 | 925.3 | 53.6 | ||||||||
| eV | -486.205 | 0.121 | -486.083 | -499.685 | 0.115 | -499.570 | 13.480 | 0.007 | 13.487 | 0.000 | 499.685 |