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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 | -2572.7414540 | -2573.1731920 | 0.4317380 | 0.0000000 | 2573.1731920 | ||||||
| cm-1 | 1308.2 | 1399.9 | -91.7 | ||||||||
| eV | -70007.855 | 0.162 | -70007.693 | -70019.603 | 0.174 | -70019.430 | 11.748 | -0.011 | 11.737 | 0.000 | 70019.603 |