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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 | -364.3336073 | -364.7499145 | 0.4163072 | 0.0000000 | 364.7499145 | ||||||
| cm-1 | 556.4 | 612.7 | -56.4 | ||||||||
| eV | -9914.022 | 0.069 | -9913.953 | -9925.350 | 0.076 | -9925.274 | 11.328 | -0.007 | 11.321 | 0.000 | 9925.350 |