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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 | -162.1725879 | -162.4193884 | 0.2468004 | 0.0000000 | 162.4193884 | ||||||
| cm-1 | 122.4 | 540.7 | -418.4 | ||||||||
| eV | -4412.941 | 0.015 | -4412.925 | -4419.656 | 0.067 | -4419.589 | 6.716 | -0.052 | 6.664 | 0.000 | 4419.656 |