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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 | -212.4467928 | -212.8374097 | 0.3906169 | -212.4290344 | 0.4083753 | ||||||
| cm-1 | 4376.3 | 4547.2 | -170.9 | ||||||||
| eV | -5780.971 | 0.543 | -5780.429 | -5791.600 | 0.564 | -5791.037 | 10.629 | -0.021 | 10.608 | -5780.488 | 11.112 |