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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 | -393.6891426 | -394.1068504 | 0.4177078 | 0.0000000 | 394.1068504 | ||||||
| cm-1 | 640.0 | 644.0 | -4.0 | ||||||||
| eV | -10712.826 | 0.079 | -10712.747 | -10724.193 | 0.080 | -10724.113 | 11.366 | -0.000 | 11.366 | 0.000 | 10724.193 |