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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 | -131.0242035 | -131.3428832 | 0.3186797 | 0.0000000 | 131.3428832 | ||||||
| cm-1 | 8225.7 | 8442.3 | -216.6 | ||||||||
| eV | -3565.350 | 1.020 | -3564.330 | -3574.022 | 1.047 | -3572.975 | 8.672 | -0.027 | 8.645 | 0.000 | 3574.022 |