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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 | -93.6515409 | -93.9622009 | 0.3106600 | 0.0000000 | 93.9622009 | ||||||
| cm-1 | 5372.0 | 5546.9 | -174.9 | ||||||||
| eV | -2548.388 | 0.666 | -2547.722 | -2556.842 | 0.688 | -2556.154 | 8.453 | -0.022 | 8.432 | 0.000 | 2556.842 |